smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1 ZINC000299757098 210009049 /nfs/dbraw/zinc/00/90/49/210009049.db2.gz MQEIIOFFKNRMKH-FQEVSTJZSA-N 1 1 368.546 4.680 50 0 FJAAMO Cc1c(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2n1C ZINC000002271596 204031083 /nfs/dbraw/zinc/03/10/83/204031083.db2.gz YNZCBZISVSIMBV-UHFFFAOYSA-N 1 1 360.501 4.624 50 0 FJAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)o1 ZINC000003027312 204074369 /nfs/dbraw/zinc/07/43/69/204074369.db2.gz CAMZJWMMLZDLSE-UHFFFAOYSA-N 1 1 363.889 4.877 50 0 FJAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003060202 204076483 /nfs/dbraw/zinc/07/64/83/204076483.db2.gz PPWOUQLORDDTKZ-CYBMUJFWSA-N 1 1 373.488 4.597 50 0 FJAAMO C[NH+](C)CC(=O)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003145249 204079298 /nfs/dbraw/zinc/07/92/98/204079298.db2.gz ASOQHGGUTRAJKV-UHFFFAOYSA-N 1 1 373.667 4.939 50 0 FJAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1cccc(C)c1 ZINC000003665498 204109971 /nfs/dbraw/zinc/10/99/71/204109971.db2.gz LIAHGMMSAYWZHQ-UHFFFAOYSA-N 1 1 373.566 4.909 50 0 FJAAMO Cc1nn2c(nc(-c3ccccc3)cc2-n2cc[nH+]c2C)c1-c1ccccc1 ZINC000005206714 204197854 /nfs/dbraw/zinc/19/78/54/204197854.db2.gz RDIVZXUYZQKGFE-UHFFFAOYSA-N 1 1 365.440 4.866 50 0 FJAAMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007781819 204306567 /nfs/dbraw/zinc/30/65/67/204306567.db2.gz JVQGHCYJHVQPTJ-OAHLLOKOSA-N 1 1 353.491 4.814 50 0 FJAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000009902993 204386629 /nfs/dbraw/zinc/38/66/29/204386629.db2.gz CSXXUDVMQWWLHR-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000009902993 204386634 /nfs/dbraw/zinc/38/66/34/204386634.db2.gz CSXXUDVMQWWLHR-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO C[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000036847560 204394048 /nfs/dbraw/zinc/39/40/48/204394048.db2.gz FODGSWMIZSILCB-RYUDHWBXSA-N 1 1 360.354 4.543 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012886791 220038672 /nfs/dbraw/zinc/03/86/72/220038672.db2.gz RNMKXYGHAAAPRZ-JOCHJYFZSA-N 1 1 366.505 4.868 50 0 FJAAMO C[C@@H]1C[NH+](Cc2ccccc2NCc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000058363132 212006300 /nfs/dbraw/zinc/00/63/00/212006300.db2.gz WVYCSBMHJZKLMI-HUUCEWRRSA-N 1 1 362.876 4.700 50 0 FJAAMO Cc1cc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)nc(C)[nH+]1 ZINC000058280831 212002244 /nfs/dbraw/zinc/00/22/44/212002244.db2.gz FNHADQCILLQGPH-UHFFFAOYSA-N 1 1 369.472 4.617 50 0 FJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000056103148 211960894 /nfs/dbraw/zinc/96/08/94/211960894.db2.gz VQLWHRXNSRKDAS-ZIAGYGMSSA-N 1 1 369.362 4.627 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000040119459 205057179 /nfs/dbraw/zinc/05/71/79/205057179.db2.gz LOJBDSMSWVWULX-OAHLLOKOSA-N 1 1 374.431 4.915 50 0 FJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)co2)cc1 ZINC000042760183 205098089 /nfs/dbraw/zinc/09/80/89/205098089.db2.gz NNAUSMDQDZRDLV-NRFANRHFSA-N 1 1 364.445 4.696 50 0 FJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(OC)c3)co2)cc1 ZINC000042760183 205098094 /nfs/dbraw/zinc/09/80/94/205098094.db2.gz NNAUSMDQDZRDLV-NRFANRHFSA-N 1 1 364.445 4.696 50 0 FJAAMO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccn2)cc1 ZINC000040722045 205077644 /nfs/dbraw/zinc/07/76/44/205077644.db2.gz RGWAAROWDQGWLG-UHFFFAOYSA-N 1 1 352.865 4.912 50 0 FJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042995847 205099574 /nfs/dbraw/zinc/09/95/74/205099574.db2.gz ZYGDKXLRUGCIFO-GOSISDBHSA-N 1 1 365.452 4.604 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000046809191 205138560 /nfs/dbraw/zinc/13/85/60/205138560.db2.gz ACEQBQOMCNQFQD-MRXNPFEDSA-N 1 1 356.897 4.644 50 0 FJAAMO CCC1(CC)CC[N@@H+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 ZINC000048488452 205164794 /nfs/dbraw/zinc/16/47/94/205164794.db2.gz DJDCBJXQPNNXNE-UHFFFAOYSA-N 1 1 353.510 4.572 50 0 FJAAMO CC[C@H](C)Oc1ccccc1C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055042371 205205152 /nfs/dbraw/zinc/20/51/52/205205152.db2.gz YOJYKSQWOLAPGP-SFHVURJKSA-N 1 1 361.489 4.919 50 0 FJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(F)cc1)[NH2+]C2 ZINC000055028085 205205474 /nfs/dbraw/zinc/20/54/74/205205474.db2.gz HFEAFVSCMHIRPR-QFIPXVFZSA-N 1 1 366.436 4.606 50 0 FJAAMO CCOc1ccccc1C[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC1 ZINC000055283383 205213274 /nfs/dbraw/zinc/21/32/74/205213274.db2.gz NJOSMKWGIFXKGZ-UHFFFAOYSA-N 1 1 355.526 4.818 50 0 FJAAMO CCOc1ccccc1C[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC1 ZINC000055283383 205213276 /nfs/dbraw/zinc/21/32/76/205213276.db2.gz NJOSMKWGIFXKGZ-UHFFFAOYSA-N 1 1 355.526 4.818 50 0 FJAAMO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000057398981 205239058 /nfs/dbraw/zinc/23/90/58/205239058.db2.gz KJMFZPIBOFHPNZ-QGZVFWFLSA-N 1 1 362.395 4.713 50 0 FJAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1C ZINC000057509344 205241510 /nfs/dbraw/zinc/24/15/10/205241510.db2.gz NVYGKUCPKRLAKE-UHFFFAOYSA-N 1 1 373.399 4.643 50 0 FJAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000057882071 205246124 /nfs/dbraw/zinc/24/61/24/205246124.db2.gz UGKVRJYVKUMVAA-DEOSSOPVSA-N 1 1 374.484 4.630 50 0 FJAAMO CCn1c[nH+]cc1Cn1cnc(-c2ccccc2)c1COCc1ccccc1 ZINC000065527327 205359197 /nfs/dbraw/zinc/35/91/97/205359197.db2.gz SGJMRNNVMDKWCG-UHFFFAOYSA-N 1 1 372.472 4.532 50 0 FJAAMO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+](Cc3cccnc3)CC4)cc2)cc1 ZINC000067712762 205385894 /nfs/dbraw/zinc/38/58/94/205385894.db2.gz LRYXRINCGNFRNS-UHFFFAOYSA-N 1 1 366.468 4.697 50 0 FJAAMO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@@H+](Cc3cccnc3)CC4)cc2)cc1 ZINC000067712762 205385898 /nfs/dbraw/zinc/38/58/98/205385898.db2.gz LRYXRINCGNFRNS-UHFFFAOYSA-N 1 1 366.468 4.697 50 0 FJAAMO Cc1ccc(COc2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113397520 206087798 /nfs/dbraw/zinc/08/77/98/206087798.db2.gz IKQPAPQJIZJEFC-UHFFFAOYSA-N 1 1 357.457 4.740 50 0 FJAAMO Fc1ccccc1COc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000113398616 206087822 /nfs/dbraw/zinc/08/78/22/206087822.db2.gz CBORKTAZADKITD-UHFFFAOYSA-N 1 1 361.420 4.571 50 0 FJAAMO COc1cc2c(cc1OC)C[N@@H+](CC[C@H](C)c1ccc(Cl)cc1)CC2 ZINC000000664921 206129863 /nfs/dbraw/zinc/12/98/63/206129863.db2.gz QEYKVSJFGFOGHF-HNNXBMFYSA-N 1 1 359.897 4.909 50 0 FJAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+](C)Cc1ccccc1 ZINC000008572578 206217266 /nfs/dbraw/zinc/21/72/66/206217266.db2.gz ASOQAEKADZPACQ-UHFFFAOYSA-N 1 1 364.489 4.916 50 0 FJAAMO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(O)c2)Cc2ccccc2O1 ZINC000020455056 206334156 /nfs/dbraw/zinc/33/41/56/206334156.db2.gz VSDQVVGGPOLZBN-HSZRJFAPSA-N 1 1 361.441 4.537 50 0 FJAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(O)c2)Cc2ccccc2O1 ZINC000020455056 206334159 /nfs/dbraw/zinc/33/41/59/206334159.db2.gz VSDQVVGGPOLZBN-HSZRJFAPSA-N 1 1 361.441 4.537 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000020733570 206343556 /nfs/dbraw/zinc/34/35/56/206343556.db2.gz WWAQWSNTMGGDDV-XLIONFOSSA-N 1 1 359.583 4.667 50 0 FJAAMO Cc1ccccc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000020733566 206343869 /nfs/dbraw/zinc/34/38/69/206343869.db2.gz TWLQFTCLKAJKAP-YLJYHZDGSA-N 1 1 359.583 4.667 50 0 FJAAMO Fc1ccc([C@H]2CC[N@@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)cc1 ZINC000215868435 206350917 /nfs/dbraw/zinc/35/09/17/206350917.db2.gz AXKYTDKZFHFKCT-FQEVSTJZSA-N 1 1 372.447 4.525 50 0 FJAAMO CSc1ncccc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000023352515 211383257 /nfs/dbraw/zinc/38/32/57/211383257.db2.gz AHPVKFWMTPMMPP-UHFFFAOYSA-N 1 1 369.534 4.820 50 0 FJAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021719997 211322567 /nfs/dbraw/zinc/32/25/67/211322567.db2.gz OHMJDQCCEOFRNP-IBGZPJMESA-N 1 1 350.466 4.581 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+](CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000021718132 211322392 /nfs/dbraw/zinc/32/23/92/211322392.db2.gz SBJSOGKTLDAWQB-IYBDPMFKSA-N 1 1 363.933 4.562 50 0 FJAAMO Fc1ccccc1[C@H]([NH2+]C1CCCCC1)c1nnc(-c2ccccc2)o1 ZINC000020852678 211297184 /nfs/dbraw/zinc/29/71/84/211297184.db2.gz XVQYSFHUJKQYJT-IBGZPJMESA-N 1 1 351.425 4.887 50 0 FJAAMO CC(C)c1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@H](C)c3cccs3)cc2)n1 ZINC000019781674 211255852 /nfs/dbraw/zinc/25/58/52/211255852.db2.gz SCQPAYRSIVMJPN-OAHLLOKOSA-N 1 1 367.518 4.815 50 0 FJAAMO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862285 211147360 /nfs/dbraw/zinc/14/73/60/211147360.db2.gz PHEHGBJIBJATSY-UHFFFAOYSA-N 1 1 354.881 4.820 50 0 FJAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000015071549 211118841 /nfs/dbraw/zinc/11/88/41/211118841.db2.gz GHWLGVPEFSGFPE-GOSISDBHSA-N 1 1 365.452 4.604 50 0 FJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000015074927 211118893 /nfs/dbraw/zinc/11/88/93/211118893.db2.gz KYTIWTQJRCSSTB-HXUWFJFHSA-N 1 1 367.514 4.706 50 0 FJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000015074927 211118897 /nfs/dbraw/zinc/11/88/97/211118897.db2.gz KYTIWTQJRCSSTB-HXUWFJFHSA-N 1 1 367.514 4.706 50 0 FJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000013776108 211058310 /nfs/dbraw/zinc/05/83/10/211058310.db2.gz UVOCKBWJADXADZ-YTFSRNRJSA-N 1 1 369.480 4.703 50 0 FJAAMO O=C(CC[N@@H+](Cc1ccco1)C1CC1)Nc1c(Cl)cccc1Cl ZINC000037176482 211037919 /nfs/dbraw/zinc/03/79/19/211037919.db2.gz RDGMYXQYVGSIBW-UHFFFAOYSA-N 1 1 353.249 4.580 50 0 FJAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)CCOc3ccccc3Cl)c2cc1C ZINC000013001118 211018812 /nfs/dbraw/zinc/01/88/12/211018812.db2.gz LQWTZJIGBJARNH-UHFFFAOYSA-N 1 1 371.864 4.574 50 0 FJAAMO Fc1ccc(-c2noc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000012910933 211006646 /nfs/dbraw/zinc/00/66/46/211006646.db2.gz RZDRLBNJEZDESK-UHFFFAOYSA-N 1 1 374.419 4.646 50 0 FJAAMO Fc1ccc(-c2noc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000012910933 211006651 /nfs/dbraw/zinc/00/66/51/211006651.db2.gz RZDRLBNJEZDESK-UHFFFAOYSA-N 1 1 374.419 4.646 50 0 FJAAMO Cc1cccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1C ZINC000012870096 211002791 /nfs/dbraw/zinc/00/27/91/211002791.db2.gz NHDNYDOMNWALBX-OAQYLSRUSA-N 1 1 368.477 4.822 50 0 FJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC000012906191 211005951 /nfs/dbraw/zinc/00/59/51/211005951.db2.gz AYPXRTSNKHWTPR-UHFFFAOYSA-N 1 1 358.432 4.982 50 0 FJAAMO CC[NH+](CC)c1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)c(C)c1 ZINC000009273521 210824668 /nfs/dbraw/zinc/82/46/68/210824668.db2.gz FDQNYMYSSKXFKO-UHFFFAOYSA-N 1 1 368.864 4.501 50 0 FJAAMO O=C(NC1CCCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000004725444 210556205 /nfs/dbraw/zinc/55/62/05/210556205.db2.gz DXYADFITXDZFGK-UHFFFAOYSA-N 1 1 366.908 4.530 50 0 FJAAMO Brc1ccc2[nH+]ccc(N3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000058243984 532966682 /nfs/dbraw/zinc/96/66/82/532966682.db2.gz MGOJVVIDDBKTJH-LJQANCHMSA-N 1 1 369.262 4.575 50 0 FJAAMO CN(Cc1ccccc1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019762698 220294580 /nfs/dbraw/zinc/29/45/80/220294580.db2.gz GZRXZWPHPFRHBV-UHFFFAOYSA-N 1 1 370.496 4.517 50 0 FJAAMO COc1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019832607 220301360 /nfs/dbraw/zinc/30/13/60/220301360.db2.gz HHVDXWGGMLPDNA-UHFFFAOYSA-N 1 1 372.468 4.506 50 0 FJAAMO C(=C/c1ccco1)\C[N@H+]1CC[C@@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 ZINC000065382061 221207901 /nfs/dbraw/zinc/20/79/01/221207901.db2.gz QQWYCLGKHVBKAS-VUQTYRPGSA-N 1 1 374.440 4.573 50 0 FJAAMO c1c2ccccc2oc1C[N@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065397835 221212344 /nfs/dbraw/zinc/21/23/44/221212344.db2.gz KSXDUZCJBWHKEZ-HXUWFJFHSA-N 1 1 355.441 4.879 50 0 FJAAMO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)c2cc1C ZINC000065463944 221222923 /nfs/dbraw/zinc/22/29/23/221222923.db2.gz SAVADIGHUSGQFV-AWEZNQCLSA-N 1 1 368.502 4.596 50 0 FJAAMO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)c2cc1C ZINC000065463949 221223301 /nfs/dbraw/zinc/22/33/01/221223301.db2.gz SAVADIGHUSGQFV-CQSZACIVSA-N 1 1 368.502 4.596 50 0 FJAAMO OCc1ccc(-c2cc([C@@H]3CC[N@@H+](C/C=C/c4ccccc4)C3)ccn2)cc1 ZINC000065490140 221226092 /nfs/dbraw/zinc/22/60/92/221226092.db2.gz MJVMMDGPFQLEAY-PTGVWUEVSA-N 1 1 370.496 4.744 50 0 FJAAMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 ZINC000067817162 221288223 /nfs/dbraw/zinc/28/82/23/221288223.db2.gz JZNPOYPJRZECBP-FQEVSTJZSA-N 1 1 368.484 4.923 50 0 FJAAMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 ZINC000067817165 221288606 /nfs/dbraw/zinc/28/86/06/221288606.db2.gz JZNPOYPJRZECBP-HXUWFJFHSA-N 1 1 368.484 4.923 50 0 FJAAMO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](C1CCCCC1)C2 ZINC000067769811 221282840 /nfs/dbraw/zinc/28/28/40/221282840.db2.gz XCZRRBFZIKMTRE-UHFFFAOYSA-N 1 1 358.869 4.635 50 0 FJAAMO CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071769309 221373792 /nfs/dbraw/zinc/37/37/92/221373792.db2.gz OKARETPOLGJSFX-VQTJNVASSA-N 1 1 363.423 4.825 50 0 FJAAMO FC(F)(F)c1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055542998 136126871 /nfs/dbraw/zinc/12/68/71/136126871.db2.gz OVRCQASKWGSHLA-UHFFFAOYSA-N 1 1 354.803 4.681 50 0 FJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C)nc(-c3ccccn3)n2)cc1 ZINC000075106780 221573973 /nfs/dbraw/zinc/57/39/73/221573973.db2.gz MZTKDUFXNIZVCJ-INIZCTEOSA-N 1 1 370.460 4.514 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000096319695 222114935 /nfs/dbraw/zinc/11/49/35/222114935.db2.gz WJPVEDUBKYXBGE-YRNRMSPPSA-N 1 1 362.945 4.808 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000096319695 222114941 /nfs/dbraw/zinc/11/49/41/222114941.db2.gz WJPVEDUBKYXBGE-YRNRMSPPSA-N 1 1 362.945 4.808 50 0 FJAAMO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1nc2c(s1)CCCC2 ZINC000097016235 222150491 /nfs/dbraw/zinc/15/04/91/222150491.db2.gz VRGPSGDAKFDWQN-JTQLQIEISA-N 1 1 369.303 4.774 50 0 FJAAMO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019815064 521284307 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O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)c1ccccc1C(F)(F)F ZINC000011754033 570706290 /nfs/dbraw/zinc/70/62/90/570706290.db2.gz CHXZVUCUDUYUHL-HNNXBMFYSA-N 1 1 368.443 4.622 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)cc1F ZINC000012151217 570723636 /nfs/dbraw/zinc/72/36/36/570723636.db2.gz UVADPZQJHLGRKV-DOTOQJQBSA-N 1 1 357.448 4.891 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012197981 570726756 /nfs/dbraw/zinc/72/67/56/570726756.db2.gz UOERYGBEQSEUMT-HSZRJFAPSA-N 1 1 356.469 4.844 50 0 FJAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000012299592 570733320 /nfs/dbraw/zinc/73/33/20/570733320.db2.gz VCGFOEXCZWOBJY-GOSISDBHSA-N 1 1 351.450 4.625 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cccc(-n3cccn3)c2)cc1C ZINC000012302698 570734428 /nfs/dbraw/zinc/73/44/28/570734428.db2.gz FHDPBRRXCBJYJY-UHFFFAOYSA-N 1 1 371.488 4.511 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000012303719 570734532 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Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000014167140 570810005 /nfs/dbraw/zinc/81/00/05/570810005.db2.gz FNRJKIRVIMEGLD-AWEZNQCLSA-N 1 1 355.432 4.677 50 0 FJAAMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000014201384 570812709 /nfs/dbraw/zinc/81/27/09/570812709.db2.gz LFLNELPFZXJASF-GOSISDBHSA-N 1 1 350.506 4.667 50 0 FJAAMO C/C=C(\C)C[N@H+]1CCOc2c(cc(-c3ccc(Cl)cn3)cc2OC)C1 ZINC000014883014 570825352 /nfs/dbraw/zinc/82/53/52/570825352.db2.gz PJYVEXYZLQPIMV-LNKIKWGQSA-N 1 1 358.869 4.571 50 0 FJAAMO C/C=C(\C)C[N@@H+]1CCOc2c(cc(-c3ccc(Cl)cn3)cc2OC)C1 ZINC000014883014 570825357 /nfs/dbraw/zinc/82/53/57/570825357.db2.gz PJYVEXYZLQPIMV-LNKIKWGQSA-N 1 1 358.869 4.571 50 0 FJAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016047208 570849891 /nfs/dbraw/zinc/84/98/91/570849891.db2.gz IMUIKBFKTPHJPU-GOSISDBHSA-N 1 1 352.478 4.759 50 0 FJAAMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000019418404 570888661 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Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2ccc(F)cc2)c2ccccc2)c1 ZINC000024840989 570983795 /nfs/dbraw/zinc/98/37/95/570983795.db2.gz KEPVUFMNVVVOSD-JOCHJYFZSA-N 1 1 362.448 4.912 50 0 FJAAMO Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663724 571017655 /nfs/dbraw/zinc/01/76/55/571017655.db2.gz BPTQOTLPZCKXBR-FQEVSTJZSA-N 1 1 356.897 4.605 50 0 FJAAMO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCc2ccccc21 ZINC000029487174 571040725 /nfs/dbraw/zinc/04/07/25/571040725.db2.gz CNOBJZSBJAASGU-INIZCTEOSA-N 1 1 362.445 4.559 50 0 FJAAMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000008533645 571049685 /nfs/dbraw/zinc/04/96/85/571049685.db2.gz IRBBMKOYOGJWND-KRWDZBQOSA-N 1 1 354.494 4.668 50 0 FJAAMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000008533645 571049688 /nfs/dbraw/zinc/04/96/88/571049688.db2.gz IRBBMKOYOGJWND-KRWDZBQOSA-N 1 1 354.494 4.668 50 0 FJAAMO CCCOc1ccc2[nH]c(C)c(C[N@@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572501 571050627 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COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000033087179 571062001 /nfs/dbraw/zinc/06/20/01/571062001.db2.gz YCWDIDQYOBYSBD-IBGZPJMESA-N 1 1 373.468 4.969 50 0 FJAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1O ZINC000033087142 571062127 /nfs/dbraw/zinc/06/21/27/571062127.db2.gz NSCBILRHIRXZRL-MRXNPFEDSA-N 1 1 361.507 4.897 50 0 FJAAMO CCn1c2ccccc2c2cc(C[N@@H+](C)C[C@H](O)c3ccccc3)ccc21 ZINC000023280024 571070480 /nfs/dbraw/zinc/07/04/80/571070480.db2.gz XETHWDUYPHMOTF-DEOSSOPVSA-N 1 1 358.485 4.980 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 ZINC000012751251 571076081 /nfs/dbraw/zinc/07/60/81/571076081.db2.gz GDQWSDRVTJWXKN-KRWDZBQOSA-N 1 1 362.473 4.616 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012755514 571077735 /nfs/dbraw/zinc/07/77/35/571077735.db2.gz KYIDTNHNDDHCRV-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012755514 571077738 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/nfs/dbraw/zinc/08/80/54/206088054.db2.gz QHPLGMSUZVSVIQ-UHFFFAOYSA-N 1 1 357.457 4.740 50 0 FJAAMO Cc1cccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1C ZINC000003058558 206156974 /nfs/dbraw/zinc/15/69/74/206156974.db2.gz DTKDTQHJIMFVFK-UTKZUKDTSA-N 1 1 373.610 4.975 50 0 FJAAMO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000003058563 206157682 /nfs/dbraw/zinc/15/76/82/206157682.db2.gz RYBGAQLHHAIQKB-OXQOHEQNSA-N 1 1 373.610 4.975 50 0 FJAAMO O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029814 206165483 /nfs/dbraw/zinc/16/54/83/206165483.db2.gz PAORRCPMNVMKQF-BLLLJJGKSA-N 1 1 357.281 4.806 50 0 FJAAMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012793202 206297572 /nfs/dbraw/zinc/29/75/72/206297572.db2.gz SLEBBZVXZFMAOH-CQSZACIVSA-N 1 1 354.400 4.577 50 0 FJAAMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012793202 206297576 /nfs/dbraw/zinc/29/75/76/206297576.db2.gz SLEBBZVXZFMAOH-CQSZACIVSA-N 1 1 354.400 4.577 50 0 FJAAMO C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000057607693 206387194 /nfs/dbraw/zinc/38/71/94/206387194.db2.gz KPNOVXWPTNXBKH-YJYMSZOUSA-N 1 1 372.440 4.733 50 0 FJAAMO CC[NH+](CC)CCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248274470 206571859 /nfs/dbraw/zinc/57/18/59/206571859.db2.gz XSKYMNZATUOGEF-UHFFFAOYSA-N 1 1 369.940 4.774 50 0 FJAAMO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](CC)C2 ZINC000023153857 211377445 /nfs/dbraw/zinc/37/74/45/211377445.db2.gz BKAUBNDENQSELL-UHFFFAOYSA-N 1 1 371.531 4.751 50 0 FJAAMO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](CC)C2 ZINC000023153857 211377449 /nfs/dbraw/zinc/37/74/49/211377449.db2.gz BKAUBNDENQSELL-UHFFFAOYSA-N 1 1 371.531 4.751 50 0 FJAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720027 211323300 /nfs/dbraw/zinc/32/33/00/211323300.db2.gz PUUGHWNISNBGSP-LJQANCHMSA-N 1 1 350.466 4.635 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000020205272 211274017 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369.480 4.703 50 0 FJAAMO C[N@H+]1C[C@H](C(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000013142197 211026969 /nfs/dbraw/zinc/02/69/69/211026969.db2.gz AHZUCLYTAPMAGO-SJORKVTESA-N 1 1 367.798 4.887 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccccc3C)ccc2c1 ZINC000012992654 211017642 /nfs/dbraw/zinc/01/76/42/211017642.db2.gz OMWCBVVMQGPNTL-KRWDZBQOSA-N 1 1 362.473 4.616 50 0 FJAAMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992689 211017178 /nfs/dbraw/zinc/01/71/78/211017178.db2.gz YETOIUREXXRDSP-SJORKVTESA-N 1 1 364.464 4.677 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000012912956 211007557 /nfs/dbraw/zinc/00/75/57/211007557.db2.gz YXYRNUZCPFNRAN-FQEVSTJZSA-N 1 1 372.896 4.904 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000012912956 211007553 /nfs/dbraw/zinc/00/75/53/211007553.db2.gz YXYRNUZCPFNRAN-FQEVSTJZSA-N 1 1 372.896 4.904 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987346 211015119 /nfs/dbraw/zinc/01/51/19/211015119.db2.gz NIYSMEOVXITJQH-OAQYLSRUSA-N 1 1 366.505 4.868 50 0 FJAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000001447583 210354263 /nfs/dbraw/zinc/35/42/63/210354263.db2.gz FYTIXKYKTCFXFY-QGZVFWFLSA-N 1 1 372.472 4.843 50 0 FJAAMO O=C(CC[NH+](Cc1ccco1)Cc1ccco1)Nc1cccc(Cl)c1 ZINC000022199736 220378891 /nfs/dbraw/zinc/37/88/91/220378891.db2.gz RWYLSLPCVQBPMW-UHFFFAOYSA-N 1 1 358.825 4.557 50 0 FJAAMO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000022776756 220399309 /nfs/dbraw/zinc/39/93/09/220399309.db2.gz YYKZRXCFMMDTDK-LLVKDONJSA-N 1 1 370.276 4.870 50 0 FJAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322337 221200226 /nfs/dbraw/zinc/20/02/26/221200226.db2.gz WKGYRQDLOZSPAK-UHFFFAOYSA-N 1 1 370.541 4.807 50 0 FJAAMO CC(C)c1cc(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 ZINC000065527440 221230969 /nfs/dbraw/zinc/23/09/69/221230969.db2.gz WBYNRZBJVMMNSP-GOSISDBHSA-N 1 1 363.461 4.555 50 0 FJAAMO Cc1cccnc1C[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067822151 221290747 /nfs/dbraw/zinc/29/07/47/221290747.db2.gz DTCGOYYOUGEXEW-UHFFFAOYSA-N 1 1 355.441 4.757 50 0 FJAAMO Cc1cccnc1C[N@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067822151 221290750 /nfs/dbraw/zinc/29/07/50/221290750.db2.gz DTCGOYYOUGEXEW-UHFFFAOYSA-N 1 1 355.441 4.757 50 0 FJAAMO CSc1ccc2c(C)cc(N3CCC[C@@H](Cn4cc[nH+]c4C)C3)nc2c1 ZINC000077285644 132178905 /nfs/dbraw/zinc/17/89/05/132178905.db2.gz MOPCQMJGQDHYNM-KRWDZBQOSA-N 1 1 366.534 4.687 50 0 FJAAMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)nc2cc(F)ccc12 ZINC000095361877 132207814 /nfs/dbraw/zinc/20/78/14/132207814.db2.gz HEWJHLODLTWUCU-INIZCTEOSA-N 1 1 352.457 4.844 50 0 FJAAMO COC[C@@H]1CC[N@H+](C2CCN(c3cccc(-c4ccc(C)cc4)c3)CC2)C1 ZINC000023379769 136152692 /nfs/dbraw/zinc/15/26/92/136152692.db2.gz GHRGNTGXQQNEJW-HXUWFJFHSA-N 1 1 364.533 4.599 50 0 FJAAMO CCc1[nH+]cc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12 ZINC000096102793 222023895 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1 1 370.424 4.673 50 0 FJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1Cl ZINC000239275112 526945525 /nfs/dbraw/zinc/94/55/25/526945525.db2.gz BEZVXVHCCOVMBX-VQTJNVASSA-N 1 1 367.364 5.222 50 0 FJAAMO CCOc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCCCC3)c2c1 ZINC000036102732 535445207 /nfs/dbraw/zinc/44/52/07/535445207.db2.gz KLOIXSAMOFOIGK-UHFFFAOYSA-N 1 1 360.457 4.855 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC000216169961 568109619 /nfs/dbraw/zinc/10/96/19/568109619.db2.gz XIOQELYSBBYAKV-CVEARBPZSA-N 1 1 357.448 4.891 50 0 FJAAMO CC[N@H+]1CCC[C@@H](OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)C1 ZINC000004863300 570552731 /nfs/dbraw/zinc/55/27/31/570552731.db2.gz ORONCDNHWTZLKC-LJQANCHMSA-N 1 1 374.484 4.851 50 0 FJAAMO CCCC[N@@H+](Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000004022119 570573086 /nfs/dbraw/zinc/57/30/86/570573086.db2.gz IYINIJNBCAQUCX-UHFFFAOYSA-N 1 1 350.550 4.996 50 0 FJAAMO C[N@@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000004667898 570600329 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4.518 50 0 FJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000011775560 570706715 /nfs/dbraw/zinc/70/67/15/570706715.db2.gz NNYWPYSVAVCMFN-LJQANCHMSA-N 1 1 352.453 4.553 50 0 FJAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000011822098 570708829 /nfs/dbraw/zinc/70/88/29/570708829.db2.gz UQUDEUNKROZSIO-FQEVSTJZSA-N 1 1 372.468 4.969 50 0 FJAAMO Cc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000011938022 570712340 /nfs/dbraw/zinc/71/23/40/570712340.db2.gz LZCFONFWEFTIFL-UHFFFAOYSA-N 1 1 367.537 4.640 50 0 FJAAMO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccccc3Cl)c2C)cc1 ZINC000012030145 570714461 /nfs/dbraw/zinc/71/44/61/570714461.db2.gz LMMKSDDYFLDQAA-AWEZNQCLSA-N 1 1 355.869 4.694 50 0 FJAAMO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCn3cccn3)c(C)o2)s1 ZINC000012030420 570714644 /nfs/dbraw/zinc/71/46/44/570714644.db2.gz PLJUETWQQISXPN-KRWDZBQOSA-N 1 1 370.522 4.661 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012090590 570718172 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ZINC000067742694 221280600 /nfs/dbraw/zinc/28/06/00/221280600.db2.gz QJQDAYMJKNALQL-UHFFFAOYSA-N 1 1 350.466 4.568 50 0 FJAAMO CC(C)c1cc(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n[nH]1 ZINC000067742694 221280604 /nfs/dbraw/zinc/28/06/04/221280604.db2.gz QJQDAYMJKNALQL-UHFFFAOYSA-N 1 1 350.466 4.568 50 0 FJAAMO c1ccc2c(c1)cccc2-c1noc2c1C[N@@H+](CCCc1cccnc1)CC2 ZINC000071314902 221341998 /nfs/dbraw/zinc/34/19/98/221341998.db2.gz AXWPHRPQIXCZAE-UHFFFAOYSA-N 1 1 369.468 4.881 50 0 FJAAMO Cc1c2cc(CNc3nc(N)c(C)c[nH+]3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071523660 221350866 /nfs/dbraw/zinc/35/08/66/221350866.db2.gz WKYMYURSXDKZKS-UHFFFAOYSA-N 1 1 361.424 4.575 50 0 FJAAMO O=C(Nc1ccccc1)[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000071873532 136141398 /nfs/dbraw/zinc/14/13/98/136141398.db2.gz PKOWMPRFJGLTMF-HNNXBMFYSA-N 1 1 365.864 4.743 50 0 FJAAMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000097032605 222153592 /nfs/dbraw/zinc/15/35/92/222153592.db2.gz QFTLZZKHTYYLMK-AREMUKBSSA-N 1 1 364.514 4.503 50 0 FJAAMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000097032605 222153595 /nfs/dbraw/zinc/15/35/95/222153595.db2.gz QFTLZZKHTYYLMK-AREMUKBSSA-N 1 1 364.514 4.503 50 0 FJAAMO FC(F)COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000097105403 222160265 /nfs/dbraw/zinc/16/02/65/222160265.db2.gz SNMDXSQZIAUBBT-GOSISDBHSA-N 1 1 357.404 4.544 50 0 FJAAMO FC(F)COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000097105403 222160269 /nfs/dbraw/zinc/16/02/69/222160269.db2.gz SNMDXSQZIAUBBT-GOSISDBHSA-N 1 1 357.404 4.544 50 0 FJAAMO COc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c(OC)c1 ZINC000085714655 524011937 /nfs/dbraw/zinc/01/19/37/524011937.db2.gz AWMKUSGKDLUFMR-UHFFFAOYSA-N 1 1 361.485 4.949 50 0 FJAAMO CCc1ccc2c(C[N@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)oc2c1 ZINC000252458637 524058471 /nfs/dbraw/zinc/05/84/71/524058471.db2.gz YNOZRLSDBVLPBF-AUUYWEPGSA-N 1 1 351.446 4.704 50 0 FJAAMO CCc1ccc2c(C[N@@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)oc2c1 ZINC000252458637 524058475 /nfs/dbraw/zinc/05/84/75/524058475.db2.gz YNOZRLSDBVLPBF-AUUYWEPGSA-N 1 1 351.446 4.704 50 0 FJAAMO c1coc(-c2n[nH]c3c2C[N@H+](Cc2ccc([C@@H]4CCCCO4)s2)CC3)c1 ZINC000020538609 526561113 /nfs/dbraw/zinc/56/11/13/526561113.db2.gz KNFWWKADLBKFKW-KRWDZBQOSA-N 1 1 369.490 4.531 50 0 FJAAMO c1coc(-c2n[nH]c3c2C[N@@H+](Cc2ccc([C@@H]4CCCCO4)s2)CC3)c1 ZINC000020538609 526561118 /nfs/dbraw/zinc/56/11/18/526561118.db2.gz KNFWWKADLBKFKW-KRWDZBQOSA-N 1 1 369.490 4.531 50 0 FJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020203299 526752347 /nfs/dbraw/zinc/75/23/47/526752347.db2.gz ZINILCAHPHYAPU-MRXNPFEDSA-N 1 1 363.379 4.506 50 0 FJAAMO O[C@H](c1cccs1)C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000215225578 568058963 /nfs/dbraw/zinc/05/89/63/568058963.db2.gz JSFRCUZLDPMPQH-FQEVSTJZSA-N 1 1 371.550 4.531 50 0 FJAAMO COc1cc2c(cc1NC(=O)[C@H](C)[NH+]1CCC(C)CC1)oc1ccccc12 ZINC000007389295 568231132 /nfs/dbraw/zinc/23/11/32/568231132.db2.gz AMGVDYNTVJAHGE-HNNXBMFYSA-N 1 1 366.461 4.654 50 0 FJAAMO O=C(c1ccccc1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095369155 570456059 /nfs/dbraw/zinc/45/60/59/570456059.db2.gz FJJQSNWFKXWHKR-JOCHJYFZSA-N 1 1 374.528 4.561 50 0 FJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc4ccccc4c3)c2)C1 ZINC000034670364 570526858 /nfs/dbraw/zinc/52/68/58/570526858.db2.gz YVTFHHFQJFPNJZ-JOCHJYFZSA-N 1 1 374.484 4.677 50 0 FJAAMO Cc1ccccc1COc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000113398075 570544450 /nfs/dbraw/zinc/54/44/50/570544450.db2.gz PTGAJASNZVDASL-UHFFFAOYSA-N 1 1 357.457 4.740 50 0 FJAAMO Fc1ccc(COc2ccccc2C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000113398614 570544456 /nfs/dbraw/zinc/54/44/56/570544456.db2.gz VGHYRYVHMHVYLR-UHFFFAOYSA-N 1 1 361.420 4.571 50 0 FJAAMO C[N@H+](Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000034849136 570556888 /nfs/dbraw/zinc/55/68/88/570556888.db2.gz MJPALBONXTWRDM-NRFANRHFSA-N 1 1 370.924 4.962 50 0 FJAAMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000034849136 570556892 /nfs/dbraw/zinc/55/68/92/570556892.db2.gz MJPALBONXTWRDM-NRFANRHFSA-N 1 1 370.924 4.962 50 0 FJAAMO CC(C)[N@H+]1C[C@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C ZINC000005574440 570676496 /nfs/dbraw/zinc/67/64/96/570676496.db2.gz ISISUCXOWWQKPO-YDHSSHFGSA-N 1 1 351.490 4.878 50 0 FJAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000011785121 570706668 /nfs/dbraw/zinc/70/66/68/570706668.db2.gz WGKYGAJTYBUSRQ-JOCHJYFZSA-N 1 1 359.517 4.984 50 0 FJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000011775563 570706735 /nfs/dbraw/zinc/70/67/35/570706735.db2.gz NNYWPYSVAVCMFN-IBGZPJMESA-N 1 1 352.453 4.553 50 0 FJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000011816938 570707696 /nfs/dbraw/zinc/70/76/96/570707696.db2.gz MCLPRWXFNACTQC-MRXNPFEDSA-N 1 1 360.498 4.827 50 0 FJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000011821816 570708712 /nfs/dbraw/zinc/70/87/12/570708712.db2.gz CAGJKLHHMLIEAC-OAQYLSRUSA-N 1 1 365.477 4.610 50 0 FJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012301074 570733874 /nfs/dbraw/zinc/73/38/74/570733874.db2.gz BKSUIUGIHWMCQW-QGZVFWFLSA-N 1 1 364.514 4.985 50 0 FJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012301076 570733897 /nfs/dbraw/zinc/73/38/97/570733897.db2.gz BKSUIUGIHWMCQW-KRWDZBQOSA-N 1 1 364.514 4.985 50 0 FJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000012459441 570747597 /nfs/dbraw/zinc/74/75/97/570747597.db2.gz GJABBEZHXXGTLD-SFHVURJKSA-N 1 1 364.489 4.565 50 0 FJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012579603 570751407 /nfs/dbraw/zinc/75/14/07/570751407.db2.gz LKTGMNSHNJYQIM-KRWDZBQOSA-N 1 1 359.901 4.521 50 0 FJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012579603 570751410 /nfs/dbraw/zinc/75/14/10/570751410.db2.gz LKTGMNSHNJYQIM-KRWDZBQOSA-N 1 1 359.901 4.521 50 0 FJAAMO COc1ccc(OC)c(C[N@@H+](Cc2cc(F)cc3cccnc32)C2CC2)c1 ZINC000032825353 570816730 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50 0 FJAAMO CCn1c(=S)n(C[N@@H+](C2CC2)C2CCC(C)CC2)nc1-c1ccco1 ZINC000032926871 570866533 /nfs/dbraw/zinc/86/65/33/570866533.db2.gz DZCLAUFKNGDAQO-UHFFFAOYSA-N 1 1 360.527 4.695 50 0 FJAAMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C)n1)C[C@H](c1ccsc1)O2 ZINC000012183901 570890834 /nfs/dbraw/zinc/89/08/34/570890834.db2.gz DLAJATNQNMJPKA-OAQYLSRUSA-N 1 1 350.487 4.896 50 0 FJAAMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(C)n1)C[C@H](c1ccsc1)O2 ZINC000012183901 570890837 /nfs/dbraw/zinc/89/08/37/570890837.db2.gz DLAJATNQNMJPKA-OAQYLSRUSA-N 1 1 350.487 4.896 50 0 FJAAMO CCCCOc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019633762 570896260 /nfs/dbraw/zinc/89/62/60/570896260.db2.gz JACYSYOJIVWAMR-JXMROGBWSA-N 1 1 364.533 4.697 50 0 FJAAMO CCCCOc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019633762 570896263 /nfs/dbraw/zinc/89/62/63/570896263.db2.gz JACYSYOJIVWAMR-JXMROGBWSA-N 1 1 364.533 4.697 50 0 FJAAMO CC(C)c1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@@H](C)c3cccs3)cc2)n1 ZINC000019781673 570902635 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COc1cc(C)ccc1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225566615 571045774 /nfs/dbraw/zinc/04/57/74/571045774.db2.gz SJDYMMIAXFMMKM-HNNXBMFYSA-N 1 1 371.481 4.596 50 0 FJAAMO COc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008572513 571050620 /nfs/dbraw/zinc/05/06/20/571050620.db2.gz OSAMSDLBJQEKEF-INIZCTEOSA-N 1 1 362.473 4.848 50 0 FJAAMO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](Cc2ccccn2)C3)cc1 ZINC000067401416 571050866 /nfs/dbraw/zinc/05/08/66/571050866.db2.gz GFWYTKXCZPLPNM-UHFFFAOYSA-N 1 1 372.472 4.592 50 0 FJAAMO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](Cc2ccccn2)C3)cc1 ZINC000067401416 571050869 /nfs/dbraw/zinc/05/08/69/571050869.db2.gz GFWYTKXCZPLPNM-UHFFFAOYSA-N 1 1 372.472 4.592 50 0 FJAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccc(C)c2)cc(OC)c1O ZINC000033087136 571061927 /nfs/dbraw/zinc/06/19/27/571061927.db2.gz LZLYKSQCTRSOMT-LJQANCHMSA-N 1 1 355.478 4.835 50 0 FJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087134 571062143 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CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000001227467 571069650 /nfs/dbraw/zinc/06/96/50/571069650.db2.gz ANBLDXXOGVVWAX-GOSISDBHSA-N 1 1 364.489 4.590 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511282 571076815 /nfs/dbraw/zinc/07/68/15/571076815.db2.gz VGPKCJZCKKPHDO-IBGZPJMESA-N 1 1 350.466 4.834 50 0 FJAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000035805136 571078675 /nfs/dbraw/zinc/07/86/75/571078675.db2.gz DYDSTKXDBDQODO-AWEZNQCLSA-N 1 1 353.293 4.827 50 0 FJAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000035805136 571078677 /nfs/dbraw/zinc/07/86/77/571078677.db2.gz DYDSTKXDBDQODO-AWEZNQCLSA-N 1 1 353.293 4.827 50 0 FJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000040119460 571080503 /nfs/dbraw/zinc/08/05/03/571080503.db2.gz LOJBDSMSWVWULX-HNNXBMFYSA-N 1 1 374.431 4.915 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012766625 571085009 /nfs/dbraw/zinc/08/50/09/571085009.db2.gz SJWZEJXWCCHUIY-OAQYLSRUSA-N 1 1 363.457 4.756 50 0 FJAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012819502 571116492 /nfs/dbraw/zinc/11/64/92/571116492.db2.gz ADALEZWCSKMBQT-OAQYLSRUSA-N 1 1 363.457 4.837 50 0 FJAAMO COc1c[nH]c(C[N@@H+](CCC2=CCCCC2)Cc2ccc(F)cc2)cc1=O ZINC000244787977 571116603 /nfs/dbraw/zinc/11/66/03/571116603.db2.gz QHFVEEQMFPCLQR-UHFFFAOYSA-N 1 1 370.468 4.828 50 0 FJAAMO CC[NH+](CC)CCCNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247913104 571126158 /nfs/dbraw/zinc/12/61/58/571126158.db2.gz LVTPDPKPRGEMDK-UHFFFAOYSA-N 1 1 363.549 4.820 50 0 FJAAMO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3cccn3C)c2cc1Cl ZINC000058165851 571126755 /nfs/dbraw/zinc/12/67/55/571126755.db2.gz AACFYQPJROKNRN-LJQANCHMSA-N 1 1 370.880 4.684 50 0 FJAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3cccn3C)c2cc1Cl ZINC000058165851 571126757 /nfs/dbraw/zinc/12/67/57/571126757.db2.gz AACFYQPJROKNRN-LJQANCHMSA-N 1 1 370.880 4.684 50 0 FJAAMO C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058168268 571127120 /nfs/dbraw/zinc/12/71/20/571127120.db2.gz GIWVYGFROYZRGQ-CYBMUJFWSA-N 1 1 357.523 4.640 50 0 FJAAMO Cc1ccccc1Cn1nc(C[NH2+]Cc2ccccc2)c(-c2ccccc2)n1 ZINC000248149057 571127918 /nfs/dbraw/zinc/12/79/18/571127918.db2.gz IXIBWOJIWPDIIJ-UHFFFAOYSA-N 1 1 368.484 4.592 50 0 FJAAMO CC[NH+](CC)CCCNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248155086 571128317 /nfs/dbraw/zinc/12/83/17/571128317.db2.gz LOASHJONTZHXLE-UHFFFAOYSA-N 1 1 363.549 4.820 50 0 FJAAMO C[C@@H](C[N@@H+](C)CCc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000004827741 571132145 /nfs/dbraw/zinc/13/21/45/571132145.db2.gz IRQLUPGLMPPWEH-NVQXNPDNSA-N 1 1 373.540 4.928 50 0 FJAAMO Cc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000015861042 571138116 /nfs/dbraw/zinc/13/81/16/571138116.db2.gz ZCBKTYLKWLBFFX-UHFFFAOYSA-N 1 1 358.844 4.558 50 0 FJAAMO Cc1ccc(NC(=O)C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000015861042 571138119 /nfs/dbraw/zinc/13/81/19/571138119.db2.gz ZCBKTYLKWLBFFX-UHFFFAOYSA-N 1 1 358.844 4.558 50 0 FJAAMO CS[C@H](C)CC[N@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067946257 571152208 /nfs/dbraw/zinc/15/22/08/571152208.db2.gz GSBLTAPRIGYYHU-CYBMUJFWSA-N 1 1 363.548 4.765 50 0 FJAAMO CCc1ccccc1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668317 571156272 /nfs/dbraw/zinc/15/62/72/571156272.db2.gz FJNBWAUXMMDIAO-UWJYYQICSA-N 1 1 373.610 4.921 50 0 FJAAMO COc1cccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC000033140072 571159205 /nfs/dbraw/zinc/15/92/05/571159205.db2.gz LIQILZSCESMIQO-UHFFFAOYSA-N 1 1 373.456 4.855 50 0 FJAAMO COc1cccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC000033140072 571159207 /nfs/dbraw/zinc/15/92/07/571159207.db2.gz LIQILZSCESMIQO-UHFFFAOYSA-N 1 1 373.456 4.855 50 0 FJAAMO Cc1c2cc(Cl)cc(CNc3cc(N)[nH+]cn3)c2[nH]c1-c1ccccc1 ZINC000071754697 571165164 /nfs/dbraw/zinc/16/51/64/571165164.db2.gz NIYTVNMPXCHVQB-UHFFFAOYSA-N 1 1 363.852 4.781 50 0 FJAAMO Cc1c2cc(Cl)cc(CNc3cc(N)nc[nH+]3)c2[nH]c1-c1ccccc1 ZINC000071754697 571165168 /nfs/dbraw/zinc/16/51/68/571165168.db2.gz NIYTVNMPXCHVQB-UHFFFAOYSA-N 1 1 363.852 4.781 50 0 FJAAMO Cc1c(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cnn1C ZINC000071755013 571165350 /nfs/dbraw/zinc/16/53/50/571165350.db2.gz PSKJJZKRTPTRKB-MRXNPFEDSA-N 1 1 365.443 4.592 50 0 FJAAMO CC(=O)c1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cs1 ZINC000072155879 571175001 /nfs/dbraw/zinc/17/50/01/571175001.db2.gz IRGGRQCIKHTHOA-JAXLGGSGSA-N 1 1 369.530 4.603 50 0 FJAAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000012551730 571179770 /nfs/dbraw/zinc/17/97/70/571179770.db2.gz AZYIRHJYFWYAHK-INIZCTEOSA-N 1 1 355.457 4.501 50 0 FJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012575079 571185241 /nfs/dbraw/zinc/18/52/41/571185241.db2.gz GYKROQWGSBMGEA-RBBKRZOGSA-N 1 1 362.517 4.741 50 0 FJAAMO Cc1cccc2cc(C[N@@H+]3CCc4n[nH]cc4C3)c(-c3cccs3)nc12 ZINC000072407594 571191095 /nfs/dbraw/zinc/19/10/95/571191095.db2.gz SNSFGDQNMLRKHX-UHFFFAOYSA-N 1 1 360.486 4.553 50 0 FJAAMO Cc1cccc2cc(C[N@H+]3CCc4n[nH]cc4C3)c(-c3cccs3)nc12 ZINC000072407594 571191098 /nfs/dbraw/zinc/19/10/98/571191098.db2.gz SNSFGDQNMLRKHX-UHFFFAOYSA-N 1 1 360.486 4.553 50 0 FJAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000072418250 571192585 /nfs/dbraw/zinc/19/25/85/571192585.db2.gz WCBYRHAIHSRIFR-UHFFFAOYSA-N 1 1 368.484 4.800 50 0 FJAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000072418250 571192588 /nfs/dbraw/zinc/19/25/88/571192588.db2.gz WCBYRHAIHSRIFR-UHFFFAOYSA-N 1 1 368.484 4.800 50 0 FJAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072421348 571193228 /nfs/dbraw/zinc/19/32/28/571193228.db2.gz QQVUMPNOQFTHRE-KRWDZBQOSA-N 1 1 369.472 4.727 50 0 FJAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072421348 571193229 /nfs/dbraw/zinc/19/32/29/571193229.db2.gz QQVUMPNOQFTHRE-KRWDZBQOSA-N 1 1 369.472 4.727 50 0 FJAAMO CCCC(=O)Nc1cccc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000092127702 571198076 /nfs/dbraw/zinc/19/80/76/571198076.db2.gz RWBAPVOYCAHFIM-AZUAARDMSA-N 1 1 365.521 4.981 50 0 FJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)Cc2ccno2)cc1 ZINC000072480380 571199918 /nfs/dbraw/zinc/19/99/18/571199918.db2.gz YQYYPCBFMVMZRO-UHFFFAOYSA-N 1 1 373.456 4.839 50 0 FJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)Cc2ccno2)cc1 ZINC000072480380 571199921 /nfs/dbraw/zinc/19/99/21/571199921.db2.gz YQYYPCBFMVMZRO-UHFFFAOYSA-N 1 1 373.456 4.839 50 0 FJAAMO CC[N@@H+](CCOC)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072481200 571200142 /nfs/dbraw/zinc/20/01/42/571200142.db2.gz DRUXLQLQGXTRNR-UHFFFAOYSA-N 1 1 363.505 4.624 50 0 FJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000075448592 571203184 /nfs/dbraw/zinc/20/31/84/571203184.db2.gz ZPZSLWRUMSUWCW-IBGZPJMESA-N 1 1 366.465 4.534 50 0 FJAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000035840769 571206544 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CCOc1ccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCCC2)cc1 ZINC000006870380 571251369 /nfs/dbraw/zinc/25/13/69/571251369.db2.gz OBXLMMYFCFVYKN-UHFFFAOYSA-N 1 1 350.462 4.747 50 0 FJAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000170593517 571266266 /nfs/dbraw/zinc/26/62/66/571266266.db2.gz HFKFZNGILSQMNK-CYBMUJFWSA-N 1 1 371.834 4.547 50 0 FJAAMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524027 571282518 /nfs/dbraw/zinc/28/25/18/571282518.db2.gz XDJRQQVWUSXAFQ-AUUYWEPGSA-N 1 1 363.457 4.630 50 0 FJAAMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524027 571282519 /nfs/dbraw/zinc/28/25/19/571282519.db2.gz XDJRQQVWUSXAFQ-AUUYWEPGSA-N 1 1 363.457 4.630 50 0 FJAAMO C[C@H](C[N@@H+](C)CCc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100817612 571309129 /nfs/dbraw/zinc/30/91/29/571309129.db2.gz IRQLUPGLMPPWEH-ATIYNZHBSA-N 1 1 373.540 4.928 50 0 FJAAMO CCCCC(=O)Nc1ccc2c(c1)nc(Cn1cc[nH+]c1C)n2CCCC ZINC000020582136 571331294 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Cc1ccccc1NC(=S)N1CCC([N@H+](C)C2CCCCCC2)CC1 ZINC000003060955 571344425 /nfs/dbraw/zinc/34/44/25/571344425.db2.gz GODSACKHJOAKJY-UHFFFAOYSA-N 1 1 359.583 4.811 50 0 FJAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000003589074 571351369 /nfs/dbraw/zinc/35/13/69/571351369.db2.gz UEAXCDRBRBTKKU-JKSUJKDBSA-N 1 1 373.953 4.710 50 0 FJAAMO Fc1ccc(C2=[NH+][C@@H](c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N2)cc1 ZINC000012374655 210233224 /nfs/dbraw/zinc/23/32/24/210233224.db2.gz AJEZCONNODRJJS-BGYRXZFFSA-N 1 1 352.359 4.936 50 0 FJAAMO C/C(=C\c1ccco1)C[N@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299765541 210014897 /nfs/dbraw/zinc/01/48/97/210014897.db2.gz BQJJSRNLPMYEGL-GUOCTKQSSA-N 1 1 355.478 4.657 50 0 FJAAMO C/C(=C\c1ccco1)C[N@@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299765541 210014902 /nfs/dbraw/zinc/01/49/02/210014902.db2.gz BQJJSRNLPMYEGL-GUOCTKQSSA-N 1 1 355.478 4.657 50 0 FJAAMO Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(NCc2ccccc2)[nH+]1 ZINC000002312442 204032768 /nfs/dbraw/zinc/03/27/68/204032768.db2.gz RUKILQLRHUKCHY-UHFFFAOYSA-N 1 1 358.367 4.581 50 0 FJAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000003060216 204077298 /nfs/dbraw/zinc/07/72/98/204077298.db2.gz LWIPBNGOPDEHMU-CQSZACIVSA-N 1 1 353.963 4.540 50 0 FJAAMO C[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735141 204053491 /nfs/dbraw/zinc/05/34/91/204053491.db2.gz MRGJXMGXQNYXHC-LJQANCHMSA-N 1 1 362.517 4.690 50 0 FJAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2Cl)CC1 ZINC000003588682 204106687 /nfs/dbraw/zinc/10/66/87/204106687.db2.gz ZLOYNBNMHKXZMT-UHFFFAOYSA-N 1 1 353.963 4.542 50 0 FJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553969 204147067 /nfs/dbraw/zinc/14/70/67/204147067.db2.gz TWCWGJZBRRFOSJ-MRXNPFEDSA-N 1 1 361.898 4.597 50 0 FJAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1cccc(F)c1 ZINC000006639015 204257649 /nfs/dbraw/zinc/25/76/49/204257649.db2.gz VEEUYKDWXUJVKG-NSHDSACASA-N 1 1 355.240 4.592 50 0 FJAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000006639015 204257652 /nfs/dbraw/zinc/25/76/52/204257652.db2.gz VEEUYKDWXUJVKG-NSHDSACASA-N 1 1 355.240 4.592 50 0 FJAAMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccccc1Cl ZINC000007276387 204294427 /nfs/dbraw/zinc/29/44/27/204294427.db2.gz LKFGMCSJHQSJCA-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO Brc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccco2)c1 ZINC000007523638 204299172 /nfs/dbraw/zinc/29/91/72/204299172.db2.gz LOQDVKMIJCEQSB-UHFFFAOYSA-N 1 1 372.262 4.911 50 0 FJAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000008724594 204341604 /nfs/dbraw/zinc/34/16/04/204341604.db2.gz SGPSTHJSSRPWHU-ZDUSSCGKSA-N 1 1 372.266 4.692 50 0 FJAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000008724594 204341606 /nfs/dbraw/zinc/34/16/06/204341606.db2.gz SGPSTHJSSRPWHU-ZDUSSCGKSA-N 1 1 372.266 4.692 50 0 FJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1F ZINC000012713109 220021410 /nfs/dbraw/zinc/02/14/10/220021410.db2.gz OANZUHTTWBZRMD-KRWDZBQOSA-N 1 1 373.493 4.651 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1F ZINC000012713109 220021415 /nfs/dbraw/zinc/02/14/15/220021415.db2.gz OANZUHTTWBZRMD-KRWDZBQOSA-N 1 1 373.493 4.651 50 0 FJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H](C)c3cccs3)c(C)o2)cc1 ZINC000012714676 220021721 /nfs/dbraw/zinc/02/17/21/220021721.db2.gz QGZCDPZMLXCUMH-CYBMUJFWSA-N 1 1 370.474 4.691 50 0 FJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3cccs3)c(C)o2)cc1 ZINC000012714676 220021723 /nfs/dbraw/zinc/02/17/23/220021723.db2.gz QGZCDPZMLXCUMH-CYBMUJFWSA-N 1 1 370.474 4.691 50 0 FJAAMO CCc1ccc(-c2noc(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)n2)cc1 ZINC000012859963 220036799 /nfs/dbraw/zinc/03/67/99/220036799.db2.gz BPWYJLUKTYEVNN-FQEVSTJZSA-N 1 1 353.441 4.925 50 0 FJAAMO C[N@H+](Cc1cccc2ccccc21)Cc1cc(Cl)cc2c1OCOC2 ZINC000058419350 212009139 /nfs/dbraw/zinc/00/91/39/212009139.db2.gz FICAHNCLBBXOQW-UHFFFAOYSA-N 1 1 353.849 4.992 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000058393446 212007983 /nfs/dbraw/zinc/00/79/83/212007983.db2.gz NMXUYEGNAOMUPM-FQEVSTJZSA-N 1 1 367.880 4.877 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000058393446 212007984 /nfs/dbraw/zinc/00/79/84/212007984.db2.gz NMXUYEGNAOMUPM-FQEVSTJZSA-N 1 1 367.880 4.877 50 0 FJAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cccc(C)c2)cc(OC)c1O ZINC000033087137 204957283 /nfs/dbraw/zinc/95/72/83/204957283.db2.gz LZLYKSQCTRSOMT-IBGZPJMESA-N 1 1 355.478 4.835 50 0 FJAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031099 205002315 /nfs/dbraw/zinc/00/23/15/205002315.db2.gz FQLUPUAKLCMQNM-FQEVSTJZSA-N 1 1 361.913 4.609 50 0 FJAAMO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000036348231 205010261 /nfs/dbraw/zinc/01/02/61/205010261.db2.gz OAQNDRHRLKNQRO-QFIPXVFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000036348231 205010265 /nfs/dbraw/zinc/01/02/65/205010265.db2.gz OAQNDRHRLKNQRO-QFIPXVFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)cc1OC ZINC000040105461 205056181 /nfs/dbraw/zinc/05/61/81/205056181.db2.gz WZFZIXVRDMGBEV-GOSISDBHSA-N 1 1 364.445 4.696 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)cc1OC ZINC000040105461 205056185 /nfs/dbraw/zinc/05/61/85/205056185.db2.gz WZFZIXVRDMGBEV-GOSISDBHSA-N 1 1 364.445 4.696 50 0 FJAAMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1cccc(Cl)c1 ZINC000040722599 205079080 /nfs/dbraw/zinc/07/90/80/205079080.db2.gz KXUQGLMDXYGESX-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO O=C(C[NH+]1CCC(c2cccs2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000085473446 205170984 /nfs/dbraw/zinc/17/09/84/205170984.db2.gz ZNELTECONCLARM-UHFFFAOYSA-N 1 1 368.424 4.585 50 0 FJAAMO CCc1cccc(C)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057364151 205238962 /nfs/dbraw/zinc/23/89/62/205238962.db2.gz STJZIDSPSPSXRU-UHFFFAOYSA-N 1 1 358.485 4.875 50 0 FJAAMO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3cccc(OC)c3)cc(=O)oc2c1 ZINC000057562996 205243355 /nfs/dbraw/zinc/24/33/55/205243355.db2.gz SIWHBSPRRKSWHS-NRFANRHFSA-N 1 1 363.457 4.701 50 0 FJAAMO CC(=O)c1ccccc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000058171163 205254370 /nfs/dbraw/zinc/25/43/70/205254370.db2.gz XWOGOBKSNDDRSQ-UHFFFAOYSA-N 1 1 372.468 4.774 50 0 FJAAMO CC(=O)c1ccccc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000058171163 205254374 /nfs/dbraw/zinc/25/43/74/205254374.db2.gz XWOGOBKSNDDRSQ-UHFFFAOYSA-N 1 1 372.468 4.774 50 0 FJAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590818 205302149 /nfs/dbraw/zinc/30/21/49/205302149.db2.gz HPNVNNVFMNQGTD-UHFFFAOYSA-N 1 1 363.505 4.539 50 0 FJAAMO COc1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)c(C)c1 ZINC000065238982 205326757 /nfs/dbraw/zinc/32/67/57/205326757.db2.gz JPHBOCSYSPZPRI-UHFFFAOYSA-N 1 1 356.491 4.576 50 0 FJAAMO COc1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)c(C)c1 ZINC000065238982 205326760 /nfs/dbraw/zinc/32/67/60/205326760.db2.gz JPHBOCSYSPZPRI-UHFFFAOYSA-N 1 1 356.491 4.576 50 0 FJAAMO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CCC ZINC000065322196 205337144 /nfs/dbraw/zinc/33/71/44/205337144.db2.gz KATYWPLTVGEJCE-UHFFFAOYSA-N 1 1 356.514 4.561 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 ZINC000015544864 220155609 /nfs/dbraw/zinc/15/56/09/220155609.db2.gz XSPFFITYVZEAKO-QGZVFWFLSA-N 1 1 362.473 4.616 50 0 FJAAMO CNc1cc[nH+]c(NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)n1 ZINC000071419071 205430563 /nfs/dbraw/zinc/43/05/63/205430563.db2.gz RFJADUMBUZMBLI-UHFFFAOYSA-N 1 1 361.424 4.726 50 0 FJAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccc(Cl)cc2C(C)(C)C)C1 ZINC000002823137 206157946 /nfs/dbraw/zinc/15/79/46/206157946.db2.gz KBGQVTSMHGPVQX-INIZCTEOSA-N 1 1 353.934 4.765 50 0 FJAAMO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572544 206217938 /nfs/dbraw/zinc/21/79/38/206217938.db2.gz WYJNZNDVDGFJRX-UHFFFAOYSA-N 1 1 363.505 4.727 50 0 FJAAMO CCN(Cc1nc2ccccc2s1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106928373 206312198 /nfs/dbraw/zinc/31/21/98/206312198.db2.gz FGWKVWAHBHICAB-IEBWSBKVSA-N 1 1 365.546 4.954 50 0 FJAAMO FC(F)(F)c1cccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000033391086 206517784 /nfs/dbraw/zinc/51/77/84/206517784.db2.gz CQGSWLMBKXLJID-UITAMQMPSA-N 1 1 360.423 4.536 50 0 FJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@]1(C)CC1(Cl)Cl)C1CCCCC1 ZINC000026129386 211442109 /nfs/dbraw/zinc/44/21/09/211442109.db2.gz SURCZKNFSWLGIQ-GOSISDBHSA-N 1 1 369.336 4.974 50 0 FJAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000022339574 211348096 /nfs/dbraw/zinc/34/80/96/211348096.db2.gz FKBJFKPNCLQJEP-CQSZACIVSA-N 1 1 363.288 4.512 50 0 FJAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCCC1 ZINC000021798214 211324503 /nfs/dbraw/zinc/32/45/03/211324503.db2.gz VOCBCMQRGSWGRU-UHFFFAOYSA-N 1 1 370.456 4.696 50 0 FJAAMO CCOc1cc2c(cc1OCC)[C@H](/C(Cl)=C/c1ccccc1)[NH2+]CC2 ZINC000020506559 211283880 /nfs/dbraw/zinc/28/38/80/211283880.db2.gz JRYBQSWEJBFFMD-SARUNTBLSA-N 1 1 357.881 4.951 50 0 FJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016339276 211158355 /nfs/dbraw/zinc/15/83/55/211158355.db2.gz XONUZQHUCVVROD-GOSISDBHSA-N 1 1 369.852 4.736 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016339276 211158361 /nfs/dbraw/zinc/15/83/61/211158361.db2.gz XONUZQHUCVVROD-GOSISDBHSA-N 1 1 369.852 4.736 50 0 FJAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012992687 211017045 /nfs/dbraw/zinc/01/70/45/211017045.db2.gz YETOIUREXXRDSP-DLBZAZTESA-N 1 1 364.464 4.677 50 0 FJAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013038818 211021965 /nfs/dbraw/zinc/02/19/65/211021965.db2.gz HADOUBDXBWJAHO-JTQLQIEISA-N 1 1 368.321 4.537 50 0 FJAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013038818 211021968 /nfs/dbraw/zinc/02/19/68/211021968.db2.gz HADOUBDXBWJAHO-JTQLQIEISA-N 1 1 368.321 4.537 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000012896725 211003762 /nfs/dbraw/zinc/00/37/62/211003762.db2.gz RFJKNYQLLHLKIP-FQEVSTJZSA-N 1 1 374.431 4.529 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000012896725 211003765 /nfs/dbraw/zinc/00/37/65/211003765.db2.gz RFJKNYQLLHLKIP-FQEVSTJZSA-N 1 1 374.431 4.529 50 0 FJAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000001447542 210354997 /nfs/dbraw/zinc/35/49/97/210354997.db2.gz UQEOWPIBFDJTNQ-INIZCTEOSA-N 1 1 358.445 4.534 50 0 FJAAMO Fc1ccc(C(CCCN2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032947 220374314 /nfs/dbraw/zinc/37/43/14/220374314.db2.gz IMSNWRMLXLBTEF-QFIPXVFZSA-N 1 1 370.487 4.657 50 0 FJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CCc3ccccc3)co2)cc1 ZINC000048303755 221006208 /nfs/dbraw/zinc/00/62/08/221006208.db2.gz IHQXABAQNWDXNK-NRFANRHFSA-N 1 1 362.473 4.947 50 0 FJAAMO CC(C)c1nnc(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)o1 ZINC000049377260 221021490 /nfs/dbraw/zinc/02/14/90/221021490.db2.gz MWILSHUVFLKULK-UHFFFAOYSA-N 1 1 354.281 4.879 50 0 FJAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000057607691 221092293 /nfs/dbraw/zinc/09/22/93/221092293.db2.gz KPNOVXWPTNXBKH-DJJJIMSYSA-N 1 1 372.440 4.733 50 0 FJAAMO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CCCC ZINC000065322334 221200276 /nfs/dbraw/zinc/20/02/76/221200276.db2.gz QRDGYOYRTHJDNF-UHFFFAOYSA-N 1 1 370.541 4.951 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CC[C@H](c2ccnc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000065404367 221213375 /nfs/dbraw/zinc/21/33/75/221213375.db2.gz UJCYPTLIIPVFGC-INIZCTEOSA-N 1 1 370.859 4.562 50 0 FJAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCCc1cccnc1)CCO2 ZINC000067774897 221285028 /nfs/dbraw/zinc/28/50/28/221285028.db2.gz WNVJTSCBCHVGHL-UHFFFAOYSA-N 1 1 374.484 4.590 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071589475 221352270 /nfs/dbraw/zinc/35/22/70/221352270.db2.gz AUMWVISMPQOZDD-OAHLLOKOSA-N 1 1 351.416 4.582 50 0 FJAAMO Clc1ccc2nc(N3CCC[C@@H](c4[nH+]ccn4CC4CC4)C3)ccc2c1 ZINC000082083763 132194002 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Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC000020293902 526380388 /nfs/dbraw/zinc/38/03/88/526380388.db2.gz SUUQGAMPRHWMAT-MRXNPFEDSA-N 1 1 371.406 4.874 50 0 FJAAMO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000089853091 526393114 /nfs/dbraw/zinc/39/31/14/526393114.db2.gz DZVLYWWQNDDUQD-UHFFFAOYSA-N 1 1 356.429 4.507 50 0 FJAAMO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000089853091 526393121 /nfs/dbraw/zinc/39/31/21/526393121.db2.gz DZVLYWWQNDDUQD-UHFFFAOYSA-N 1 1 356.429 4.507 50 0 FJAAMO c1[nH]c2ccccc2c1C[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019798700 526393309 /nfs/dbraw/zinc/39/33/09/526393309.db2.gz NEOJMTXWWMBOAV-UHFFFAOYSA-N 1 1 355.485 4.639 50 0 FJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1Cl ZINC000239275111 526946117 /nfs/dbraw/zinc/94/61/17/526946117.db2.gz BEZVXVHCCOVMBX-PMACEKPBSA-N 1 1 367.364 5.222 50 0 FJAAMO C[C@H](c1ccccc1)[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937451 568428846 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4.777 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000013017393 571189566 /nfs/dbraw/zinc/18/95/66/571189566.db2.gz WODCWTHSDBAFBS-SFHVURJKSA-N 1 1 373.500 4.901 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000013017393 571189567 /nfs/dbraw/zinc/18/95/67/571189567.db2.gz WODCWTHSDBAFBS-SFHVURJKSA-N 1 1 373.500 4.901 50 0 FJAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000012601796 571190010 /nfs/dbraw/zinc/19/00/10/571190010.db2.gz BUSKNAVGUWSOBM-OAHLLOKOSA-N 1 1 373.447 4.640 50 0 FJAAMO CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000012603345 571190468 /nfs/dbraw/zinc/19/04/68/571190468.db2.gz AGBZEPCPOVLGRM-QGZVFWFLSA-N 1 1 367.493 4.515 50 0 FJAAMO CC[N@@H+](C)CCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072408968 571191447 /nfs/dbraw/zinc/19/14/47/571191447.db2.gz UVEUOJCGJJGXMD-UHFFFAOYSA-N 1 1 369.896 4.512 50 0 FJAAMO Cc1nc(C)c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)s1 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FJAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000036347581 571248687 /nfs/dbraw/zinc/24/86/87/571248687.db2.gz VHCGFPHCBHJSLX-QFIPXVFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000036347581 571248688 /nfs/dbraw/zinc/24/86/88/571248688.db2.gz VHCGFPHCBHJSLX-QFIPXVFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccc(C)cc1 ZINC000006922840 571254677 /nfs/dbraw/zinc/25/46/77/571254677.db2.gz MRYHAXJYGJIWLN-YFNKSVMNSA-N 1 1 365.517 4.872 50 0 FJAAMO CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007003212 571256971 /nfs/dbraw/zinc/25/69/71/571256971.db2.gz ZDKDKWADGDWSFJ-MRXNPFEDSA-N 1 1 369.534 4.838 50 0 FJAAMO C[C@@H]1CCC[N@@H+](CCCCOc2ccc(Br)cc2Cl)C1 ZINC000002824903 571275758 /nfs/dbraw/zinc/27/57/58/571275758.db2.gz KYUJTORQOPNBTE-CYBMUJFWSA-N 1 1 360.723 4.993 50 0 FJAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000007583322 571277737 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FJAAMO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000003433111 571349681 /nfs/dbraw/zinc/34/96/81/571349681.db2.gz MLTGXPKLQPNWCJ-UHFFFAOYSA-N 1 1 370.852 4.725 50 0 FJAAMO C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000003433111 571349682 /nfs/dbraw/zinc/34/96/82/571349682.db2.gz MLTGXPKLQPNWCJ-UHFFFAOYSA-N 1 1 370.852 4.725 50 0 FJAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515309 204042742 /nfs/dbraw/zinc/04/27/42/204042742.db2.gz WKTBYZRWYYNFLO-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000003060218 204076915 /nfs/dbraw/zinc/07/69/15/204076915.db2.gz LWIPBNGOPDEHMU-AWEZNQCLSA-N 1 1 353.963 4.540 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCC3)CC2)cc1C ZINC000003058477 204077390 /nfs/dbraw/zinc/07/73/90/204077390.db2.gz HFUQFRZRZYUQCP-UHFFFAOYSA-N 1 1 359.583 4.729 50 0 FJAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000003421766 204099632 /nfs/dbraw/zinc/09/96/32/204099632.db2.gz 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Cc1ccc(NC(=S)NC[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000004683367 204154990 /nfs/dbraw/zinc/15/49/90/204154990.db2.gz YWDVXRJHWGVKPF-OALUTQOASA-N 1 1 367.562 4.673 50 0 FJAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@H](O)C(C)C ZINC000004875950 204171550 /nfs/dbraw/zinc/17/15/50/204171550.db2.gz CIJMCUOJDVHAIH-QFIPXVFZSA-N 1 1 360.517 4.541 50 0 FJAAMO CCOc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)C3CCCC3)c2c1 ZINC000004943055 204179953 /nfs/dbraw/zinc/17/99/53/204179953.db2.gz PVUVDSXASVWMHY-UHFFFAOYSA-N 1 1 367.445 4.730 50 0 biogenic,in-vitro FJAAMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(Cl)s1 ZINC000035253528 204203294 /nfs/dbraw/zinc/20/32/94/204203294.db2.gz XKBOSERMVKESMM-MRVPVSSYSA-N 1 1 374.687 4.744 50 0 FJAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000006085786 204237309 /nfs/dbraw/zinc/23/73/09/204237309.db2.gz DWGZGXDKJZPKLP-OAHLLOKOSA-N 1 1 358.869 4.803 50 0 FJAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000006085786 204237314 /nfs/dbraw/zinc/23/73/14/204237314.db2.gz DWGZGXDKJZPKLP-OAHLLOKOSA-N 1 1 358.869 4.803 50 0 FJAAMO Cc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=[NH+]CCCC1 ZINC000008415726 204330735 /nfs/dbraw/zinc/33/07/35/204330735.db2.gz WZVDGAMYUCUFQW-UHFFFAOYSA-N 1 1 372.415 4.868 50 0 FJAAMO CCc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCCC2)cc1 ZINC000012437799 204462395 /nfs/dbraw/zinc/46/23/95/204462395.db2.gz FNOMVYFIMUXRCZ-UHFFFAOYSA-N 1 1 360.457 4.637 50 0 FJAAMO Cc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018657 204953322 /nfs/dbraw/zinc/95/33/22/204953322.db2.gz RMYLCZYJEGUAPF-UHFFFAOYSA-N 1 1 359.425 4.897 50 0 FJAAMO Cc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018657 204953325 /nfs/dbraw/zinc/95/33/25/204953325.db2.gz RMYLCZYJEGUAPF-UHFFFAOYSA-N 1 1 359.425 4.897 50 0 FJAAMO FC(F)(F)c1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769814 205048117 /nfs/dbraw/zinc/04/81/17/205048117.db2.gz AVAXCWYVNPJHNB-UXHICEINSA-N 1 1 366.471 4.934 50 0 FJAAMO C[NH+](C)CCNCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040720161 205077377 /nfs/dbraw/zinc/07/73/77/205077377.db2.gz KJWQUSCPFATPEC-UHFFFAOYSA-N 1 1 368.908 4.723 50 0 FJAAMO COc1ccc(C[C@@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)cc1 ZINC000048301324 205156741 /nfs/dbraw/zinc/15/67/41/205156741.db2.gz NAWIYSDGYYAMOQ-KRWDZBQOSA-N 1 1 354.475 4.619 50 0 FJAAMO CC(C)c1cc(=O)[nH]c(-c2ccccc2C[N@@H+](C)C2CCCCCC2)n1 ZINC000048373870 205162711 /nfs/dbraw/zinc/16/27/11/205162711.db2.gz LSQKLWSAHAMXLS-UHFFFAOYSA-N 1 1 353.510 4.715 50 0 FJAAMO CC[C@@H](C)Oc1ccccc1C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055042370 205204346 /nfs/dbraw/zinc/20/43/46/205204346.db2.gz YOJYKSQWOLAPGP-GOSISDBHSA-N 1 1 361.489 4.919 50 0 FJAAMO CCOc1ccccc1CN1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC000054991965 205205295 /nfs/dbraw/zinc/20/52/95/205205295.db2.gz AGAKMHWWZTWIEW-UHFFFAOYSA-N 1 1 352.522 4.572 50 0 FJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(F)c1)[NH2+]C2 ZINC000055211423 205209934 /nfs/dbraw/zinc/20/99/34/205209934.db2.gz 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ZINC000071764797 571166033 /nfs/dbraw/zinc/16/60/33/571166033.db2.gz PZKBWJPOMOBVJX-HNNXBMFYSA-N 1 1 363.427 4.527 50 0 FJAAMO CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071769308 571166276 /nfs/dbraw/zinc/16/62/76/571166276.db2.gz OKARETPOLGJSFX-UXHICEINSA-N 1 1 363.423 4.825 50 0 FJAAMO Cc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC000012550678 571179761 /nfs/dbraw/zinc/17/97/61/571179761.db2.gz UECRLAOJRMDUGH-INIZCTEOSA-N 1 1 355.457 4.564 50 0 FJAAMO Cc1ccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000012980504 571183252 /nfs/dbraw/zinc/18/32/52/571183252.db2.gz MBCOQTSCKUJAAC-UHFFFAOYSA-N 1 1 371.864 4.574 50 0 FJAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000012603179 571190075 /nfs/dbraw/zinc/19/00/75/571190075.db2.gz DTMDQGQIAKLKNM-XMMPIXPASA-N 1 1 359.469 4.852 50 0 FJAAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000012601793 571190164 /nfs/dbraw/zinc/19/01/64/571190164.db2.gz BUSKNAVGUWSOBM-HNNXBMFYSA-N 1 1 373.447 4.640 50 0 FJAAMO CCSc1ccccc1NC(=O)N1CCC(CCn2cc[nH+]c2C)CC1 ZINC000299793647 571201634 /nfs/dbraw/zinc/20/16/34/571201634.db2.gz IDRVZSPOJYKKPT-UHFFFAOYSA-N 1 1 372.538 4.638 50 0 FJAAMO c1csc(CC[C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077341747 571208183 /nfs/dbraw/zinc/20/81/83/571208183.db2.gz JANCJAJJZWEDQL-INIZCTEOSA-N 1 1 353.491 4.785 50 0 FJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H](C)c2ccccn2)n1 ZINC000006589377 571210857 /nfs/dbraw/zinc/21/08/57/571210857.db2.gz OSRJPMDVMJGQGH-CQSZACIVSA-N 1 1 369.538 4.718 50 0 FJAAMO Cc1ccc2nc([C@@H]3CCCN3Cc3cc(-c4ccccc4)no3)[nH]c2c1 ZINC000077503245 571213656 /nfs/dbraw/zinc/21/36/56/571213656.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 1 358.445 4.863 50 0 FJAAMO Cc1cc(Cl)c(OCC[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC000004905385 571213750 /nfs/dbraw/zinc/21/37/50/571213750.db2.gz YQYGDIWMXIEJIS-UHFFFAOYSA-N 1 1 368.702 4.922 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOCCOc2ccc(Cl)c3ccccc23)C1 ZINC000004906570 571213762 /nfs/dbraw/zinc/21/37/62/571213762.db2.gz YKVZILBGRZOAET-CALCHBBNSA-N 1 1 361.913 4.867 50 0 FJAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 ZINC000082136869 571229121 /nfs/dbraw/zinc/22/91/21/571229121.db2.gz RNHSJORQFSFCHS-HXUWFJFHSA-N 1 1 363.461 4.537 50 0 FJAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1Cl ZINC000085651294 571233705 /nfs/dbraw/zinc/23/37/05/571233705.db2.gz NHKIDFQMVLTUDT-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO CC[C@H](C)NC(=O)[C@H]1CC[C@@H](c2ccc(F)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000169681905 571247090 /nfs/dbraw/zinc/24/70/90/571247090.db2.gz OUAQBDHTYHZCNA-XJABCFGWSA-N 1 1 368.496 4.694 50 0 FJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000036347690 571248720 /nfs/dbraw/zinc/24/87/20/571248720.db2.gz BEPFOWNUEYLBSZ-HSZRJFAPSA-N 1 1 362.473 4.501 50 0 FJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006962309 571255905 /nfs/dbraw/zinc/25/59/05/571255905.db2.gz GYKROQWGSBMGEA-IRLDBZIGSA-N 1 1 362.517 4.741 50 0 FJAAMO CC(C)(C)C(=O)Nc1ccncc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000170594588 571266238 /nfs/dbraw/zinc/26/62/38/571266238.db2.gz GHYBGFMJBXKYMV-FQEVSTJZSA-N 1 1 366.509 4.579 50 0 FJAAMO CC(C)(C)C(=O)Nc1ccncc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000170594588 571266240 /nfs/dbraw/zinc/26/62/40/571266240.db2.gz GHYBGFMJBXKYMV-FQEVSTJZSA-N 1 1 366.509 4.579 50 0 FJAAMO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252510610 571281578 /nfs/dbraw/zinc/28/15/78/571281578.db2.gz ARARJJISSMNJMD-UKRRQHHQSA-N 1 1 362.709 4.798 50 0 FJAAMO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252510610 571281579 /nfs/dbraw/zinc/28/15/79/571281579.db2.gz ARARJJISSMNJMD-UKRRQHHQSA-N 1 1 362.709 4.798 50 0 FJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Oc3cccnc3)c2c1C ZINC000007902724 571292762 /nfs/dbraw/zinc/29/27/62/571292762.db2.gz XRKDCYLUAOZBID-UHFFFAOYSA-N 1 1 368.506 4.727 50 0 FJAAMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 ZINC000101359132 571309171 /nfs/dbraw/zinc/30/91/71/571309171.db2.gz LAUAHIVTDOZZLW-DHIUTWEWSA-N 1 1 363.501 4.778 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000020108417 571327989 /nfs/dbraw/zinc/32/79/89/571327989.db2.gz WJPVEDUBKYXBGE-GQIGUUNPSA-N 1 1 362.945 4.808 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000020108417 571327990 /nfs/dbraw/zinc/32/79/90/571327990.db2.gz WJPVEDUBKYXBGE-GQIGUUNPSA-N 1 1 362.945 4.808 50 0 FJAAMO Oc1ccc(C2=CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000095469761 571330664 /nfs/dbraw/zinc/33/06/64/571330664.db2.gz NVGKDTKHMHKBCF-UHFFFAOYSA-N 1 1 366.461 4.944 50 0 FJAAMO Oc1ccc(C2=CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000095469761 571330665 /nfs/dbraw/zinc/33/06/65/571330665.db2.gz NVGKDTKHMHKBCF-UHFFFAOYSA-N 1 1 366.461 4.944 50 0 FJAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000057477906 571343561 /nfs/dbraw/zinc/34/35/61/571343561.db2.gz DJNVKUNJTSLYIZ-NRFANRHFSA-N 1 1 363.457 4.756 50 0 FJAAMO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000003058551 571344419 /nfs/dbraw/zinc/34/44/19/571344419.db2.gz VOALHWNWJTWPEC-WIYYLYMNSA-N 1 1 373.610 4.975 50 0 FJAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1 ZINC000057668157 571345007 /nfs/dbraw/zinc/34/50/07/571345007.db2.gz OEZUAWCNUBDECT-AUUYWEPGSA-N 1 1 354.450 4.593 50 0 FJAAMO Fc1ccc([C@H](Cc2ccc(Cl)cc2Cl)[NH2+]Cc2ncc[nH]2)cc1 ZINC000066594192 571359851 /nfs/dbraw/zinc/35/98/51/571359851.db2.gz ZAPLTWDZAKPNJA-KRWDZBQOSA-N 1 1 364.251 4.929 50 0 FJAAMO COc1cc2c(cc1OC)C[N@@H+](CC[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000000664923 219309940 /nfs/dbraw/zinc/30/99/40/219309940.db2.gz QEYKVSJFGFOGHF-OAHLLOKOSA-N 1 1 359.897 4.909 50 0 FJAAMO C[C@@H]1CCC[N@@H+](CCCCOc2ccc(Cl)cc2Br)C1 ZINC000002824106 219467891 /nfs/dbraw/zinc/46/78/91/219467891.db2.gz DMPWBCHLMBBPJZ-CYBMUJFWSA-N 1 1 360.723 4.993 50 0 FJAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000061623963 212025609 /nfs/dbraw/zinc/02/56/09/212025609.db2.gz GXMLJVNMHWJJOI-UHFFFAOYSA-N 1 1 373.456 4.782 50 0 FJAAMO Brc1ccccc1C[NH2+]Cc1ccccc1Br ZINC000002382612 204036800 /nfs/dbraw/zinc/03/68/00/204036800.db2.gz LJFMBTCJNJSOJE-UHFFFAOYSA-N 1 1 355.073 4.501 50 0 FJAAMO CCCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCCC2)c1CCC ZINC000002298705 204032328 /nfs/dbraw/zinc/03/23/28/204032328.db2.gz DPRQYNMTZXEVDS-UHFFFAOYSA-N 1 1 367.537 4.954 50 0 FJAAMO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000004843475 204169292 /nfs/dbraw/zinc/16/92/92/204169292.db2.gz KATZBIVGQWEXSZ-UHFFFAOYSA-N 1 1 356.828 4.743 50 0 FJAAMO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(Cl)c1 ZINC000007789464 204307707 /nfs/dbraw/zinc/30/77/07/204307707.db2.gz GRCSAYGKTRUTPL-UHFFFAOYSA-N 1 1 360.860 4.699 50 0 FJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(Cl)c1 ZINC000007789464 204307711 /nfs/dbraw/zinc/30/77/11/204307711.db2.gz GRCSAYGKTRUTPL-UHFFFAOYSA-N 1 1 360.860 4.699 50 0 FJAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126675 204317350 /nfs/dbraw/zinc/31/73/50/204317350.db2.gz RZYLYDVIVPJXJB-QGZVFWFLSA-N 1 1 363.288 4.941 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320088 204326777 /nfs/dbraw/zinc/32/67/77/204326777.db2.gz CEURVGHEEKZXOH-SWLSCSKDSA-N 1 1 364.898 4.574 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320088 204326780 /nfs/dbraw/zinc/32/67/80/204326780.db2.gz CEURVGHEEKZXOH-SWLSCSKDSA-N 1 1 364.898 4.574 50 0 FJAAMO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012793206 220030303 /nfs/dbraw/zinc/03/03/03/220030303.db2.gz SLEBBZVXZFMAOH-AWEZNQCLSA-N 1 1 354.400 4.577 50 0 FJAAMO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012793206 220030306 /nfs/dbraw/zinc/03/03/06/220030306.db2.gz SLEBBZVXZFMAOH-AWEZNQCLSA-N 1 1 354.400 4.577 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000058393445 212007689 /nfs/dbraw/zinc/00/76/89/212007689.db2.gz NMXUYEGNAOMUPM-HXUWFJFHSA-N 1 1 367.880 4.877 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000058393445 212007694 /nfs/dbraw/zinc/00/76/94/212007694.db2.gz NMXUYEGNAOMUPM-HXUWFJFHSA-N 1 1 367.880 4.877 50 0 FJAAMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000058290478 212002812 /nfs/dbraw/zinc/00/28/12/212002812.db2.gz DMTDVGVIAURTPW-OAHLLOKOSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1ccccc1OCC[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000058290478 212002817 /nfs/dbraw/zinc/00/28/17/212002817.db2.gz DMTDVGVIAURTPW-OAHLLOKOSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036104678 205004821 /nfs/dbraw/zinc/00/48/21/205004821.db2.gz JGYDSUPVEOECOA-DEOSSOPVSA-N 1 1 363.476 4.740 50 0 FJAAMO CN(C)CCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040719520 205077069 /nfs/dbraw/zinc/07/70/69/205077069.db2.gz ZYLQDCMBAHOWAN-UHFFFAOYSA-N 1 1 367.320 4.614 50 0 FJAAMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1cccc(Cl)c1 ZINC000040722593 205078564 /nfs/dbraw/zinc/07/85/64/205078564.db2.gz OGLAQGLMLDRXNN-UHFFFAOYSA-N 1 1 357.837 4.810 50 0 FJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000046809192 205138859 /nfs/dbraw/zinc/13/88/59/205138859.db2.gz ACEQBQOMCNQFQD-INIZCTEOSA-N 1 1 356.897 4.644 50 0 FJAAMO CC(C)(C)[C@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 ZINC000053643699 205194580 /nfs/dbraw/zinc/19/45/80/205194580.db2.gz RRTUTIXPJRUFQR-MRXNPFEDSA-N 1 1 356.470 4.616 50 0 FJAAMO C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427729 205240262 /nfs/dbraw/zinc/24/02/62/205240262.db2.gz FMWCJPWJSCACTC-KRWDZBQOSA-N 1 1 363.461 4.548 50 0 FJAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000057478082 205241942 /nfs/dbraw/zinc/24/19/42/205241942.db2.gz FXULDBYEVHDMRQ-BFUOFWGJSA-N 1 1 372.440 4.733 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3cc(C)ccc3C)C2)c(C)c1 ZINC000058096610 205249646 /nfs/dbraw/zinc/24/96/46/205249646.db2.gz WUPAFJFJVKMUHL-UHFFFAOYSA-N 1 1 367.562 4.782 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3cc(C)ccc3C)C2)c(C)c1 ZINC000058096610 205249648 /nfs/dbraw/zinc/24/96/48/205249648.db2.gz WUPAFJFJVKMUHL-UHFFFAOYSA-N 1 1 367.562 4.782 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2cccs2)c2ccccc2)c1 ZINC000058163291 205252051 /nfs/dbraw/zinc/25/20/51/205252051.db2.gz PCBCLJBAHRHPRS-HXUWFJFHSA-N 1 1 350.487 4.835 50 0 FJAAMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000057882070 205246605 /nfs/dbraw/zinc/24/66/05/205246605.db2.gz UGKVRJYVKUMVAA-XMMPIXPASA-N 1 1 374.484 4.630 50 0 FJAAMO CCC(=O)Nc1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000064801177 205306329 /nfs/dbraw/zinc/30/63/29/205306329.db2.gz HTPHEAZVBQVHOD-UHFFFAOYSA-N 1 1 353.470 4.622 50 0 FJAAMO Cn1ccnc1C[N@H+]1CC[C@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453057 205351735 /nfs/dbraw/zinc/35/17/35/205351735.db2.gz NVGVWCCCMQWSOQ-KRWDZBQOSA-N 1 1 374.513 4.686 50 0 FJAAMO C(=C/c1ccco1)\C[N@H+]1CC[C@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 ZINC000065382059 205343740 /nfs/dbraw/zinc/34/37/40/205343740.db2.gz QQWYCLGKHVBKAS-UJXFUWLCSA-N 1 1 374.440 4.573 50 0 FJAAMO COc1cccc(OC)c1-c1cc([C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000065407984 205348973 /nfs/dbraw/zinc/34/89/73/205348973.db2.gz RETQEINSBYXJOP-IBGZPJMESA-N 1 1 366.505 4.745 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CC[C@@H](c2ccnc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000067833473 205393817 /nfs/dbraw/zinc/39/38/17/205393817.db2.gz UJCYPTLIIPVFGC-MRXNPFEDSA-N 1 1 370.859 4.562 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000015836962 220167563 /nfs/dbraw/zinc/16/75/63/220167563.db2.gz BUEABJZDCDWRHY-FQEVSTJZSA-N 1 1 355.478 4.828 50 0 FJAAMO C[C@@H]1C[N@@H+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247784 220181017 /nfs/dbraw/zinc/18/10/17/220181017.db2.gz HJWZZUDNWVQXHL-KDURUIRLSA-N 1 1 353.506 4.501 50 0 FJAAMO C[C@@H]1C[N@H+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247784 220181021 /nfs/dbraw/zinc/18/10/21/220181021.db2.gz HJWZZUDNWVQXHL-KDURUIRLSA-N 1 1 353.506 4.501 50 0 FJAAMO C[C@@H]1C[N@H+](CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000016247130 220181853 /nfs/dbraw/zinc/18/18/53/220181853.db2.gz HVDDKMIHPYAPGZ-IYBDPMFKSA-N 1 1 353.934 4.906 50 0 FJAAMO COc1ccc(-c2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)o2)cc1Cl ZINC000113398052 206089271 /nfs/dbraw/zinc/08/92/71/206089271.db2.gz JFEHWBLLPKEDNR-UHFFFAOYSA-N 1 1 367.836 4.775 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000003058566 206157957 /nfs/dbraw/zinc/15/79/57/206157957.db2.gz YYOPNVHKWFFAIH-UTKZUKDTSA-N 1 1 373.610 4.975 50 0 FJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC=CC[C@H]1Cc1ccccc1 ZINC000004029406 206163311 /nfs/dbraw/zinc/16/33/11/206163311.db2.gz SHPRRBDHATWGCT-AFXVXQJMSA-N 1 1 367.533 4.619 50 0 FJAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cccc(C)c3C)ccc2c1 ZINC000007926553 206211850 /nfs/dbraw/zinc/21/18/50/206211850.db2.gz MKHJRRXXMSYREM-UHFFFAOYSA-N 1 1 362.473 4.536 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cccc(C)c3C)ccc2c1 ZINC000007926553 206211854 /nfs/dbraw/zinc/21/18/54/206211854.db2.gz MKHJRRXXMSYREM-UHFFFAOYSA-N 1 1 362.473 4.536 50 0 FJAAMO CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000215325986 206345075 /nfs/dbraw/zinc/34/50/75/206345075.db2.gz CVUOZAKGVFDUJJ-UHFFFAOYSA-N 1 1 374.941 4.506 50 0 FJAAMO COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)s1 ZINC000215404963 206346651 /nfs/dbraw/zinc/34/66/51/206346651.db2.gz DRNMNUYQESXAAA-QGZVFWFLSA-N 1 1 369.490 4.761 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)cc1F ZINC000216102289 206354690 /nfs/dbraw/zinc/35/46/90/206354690.db2.gz UVADPZQJHLGRKV-NVXWUHKLSA-N 1 1 357.448 4.891 50 0 FJAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000057607696 206387033 /nfs/dbraw/zinc/38/70/33/206387033.db2.gz KPNOVXWPTNXBKH-ORAYPTAESA-N 1 1 372.440 4.733 50 0 FJAAMO Cc1ccccc1-c1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000220206038 206398518 /nfs/dbraw/zinc/39/85/18/206398518.db2.gz XUVYNSVWGCVBSS-UHFFFAOYSA-N 1 1 362.517 4.753 50 0 FJAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)C3CCC3)cc12)CC1CC1 ZINC000022334392 211346079 /nfs/dbraw/zinc/34/60/79/211346079.db2.gz YIKKWWIHHCLROF-UHFFFAOYSA-N 1 1 353.510 4.571 50 0 FJAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000021881784 211329228 /nfs/dbraw/zinc/32/92/28/211329228.db2.gz WLSVCIAWNBGBNR-UHFFFAOYSA-N 1 1 354.881 4.728 50 0 FJAAMO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000020108415 211267281 /nfs/dbraw/zinc/26/72/81/211267281.db2.gz WJPVEDUBKYXBGE-JXXFODFXSA-N 1 1 362.945 4.808 50 0 FJAAMO O=C(Nc1ccc(F)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019812519 211258099 /nfs/dbraw/zinc/25/80/99/211258099.db2.gz AIXIVPHVXRTSCK-UHFFFAOYSA-N 1 1 360.432 4.636 50 0 FJAAMO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000019143414 211203733 /nfs/dbraw/zinc/20/37/33/211203733.db2.gz DVXLAKNXUZPLEI-OAHLLOKOSA-N 1 1 363.417 4.764 50 0 FJAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000018936062 211200765 /nfs/dbraw/zinc/20/07/65/211200765.db2.gz HJECJKVMQYTXGA-UHFFFAOYSA-N 1 1 363.866 4.544 50 0 FJAAMO CCc1ccc2c(C[N@H+](C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc(=O)oc2c1 ZINC000017524021 211186273 /nfs/dbraw/zinc/18/62/73/211186273.db2.gz YNOZRLSDBVLPBF-IFXJQAMLSA-N 1 1 351.446 4.704 50 0 FJAAMO CCc1ccc2c(C[N@@H+](C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc(=O)oc2c1 ZINC000017524021 211186279 /nfs/dbraw/zinc/18/62/79/211186279.db2.gz YNOZRLSDBVLPBF-IFXJQAMLSA-N 1 1 351.446 4.704 50 0 FJAAMO O=C(C1CCCC1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000015074255 211120369 /nfs/dbraw/zinc/12/03/69/211120369.db2.gz AYILSPZKGHOJJO-FQEVSTJZSA-N 1 1 374.956 4.591 50 0 FJAAMO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1nnc2n1CCCCC2 ZINC000054040763 221049982 /nfs/dbraw/zinc/04/99/82/221049982.db2.gz NLRVYYCOPHDGPA-OAHLLOKOSA-N 1 1 352.507 4.584 50 0 FJAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CCC)ccc21 ZINC000065322332 221199932 /nfs/dbraw/zinc/19/99/32/221199932.db2.gz ZKQDEGHITISBKP-UHFFFAOYSA-N 1 1 356.514 4.561 50 0 FJAAMO Fc1cccc(-c2noc3c2C[N@@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000067758928 221283149 /nfs/dbraw/zinc/28/31/49/221283149.db2.gz BGIOXZKRANFGIZ-UHFFFAOYSA-N 1 1 361.420 4.563 50 0 FJAAMO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+](Cc3ccccn3)CC4)cc2)cc1 ZINC000067872260 221298304 /nfs/dbraw/zinc/29/83/04/221298304.db2.gz UBNNEYNMRITIBN-UHFFFAOYSA-N 1 1 366.468 4.697 50 0 FJAAMO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@@H+](Cc3ccccn3)CC4)cc2)cc1 ZINC000067872260 221298307 /nfs/dbraw/zinc/29/83/07/221298307.db2.gz UBNNEYNMRITIBN-UHFFFAOYSA-N 1 1 366.468 4.697 50 0 FJAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071708133 221355055 /nfs/dbraw/zinc/35/50/55/221355055.db2.gz COMFPAJOQURGGX-INIZCTEOSA-N 1 1 365.443 4.592 50 0 FJAAMO Nc1ncccc1C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071764798 221371959 /nfs/dbraw/zinc/37/19/59/221371959.db2.gz PZKBWJPOMOBVJX-OAHLLOKOSA-N 1 1 363.427 4.527 50 0 FJAAMO Clc1cccc([C@H]([NH2+]CC2=Cc3ccccc3OC2)c2ccccn2)c1 ZINC000097015235 222151088 /nfs/dbraw/zinc/15/10/88/222151088.db2.gz LVQMSLRMZWZAFN-QFIPXVFZSA-N 1 1 362.860 4.890 50 0 FJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1Br ZINC000002498643 263145517 /nfs/dbraw/zinc/14/55/17/263145517.db2.gz HTDDXJUOHOGXSM-CZUORRHYSA-N 1 1 368.315 4.621 50 0 FJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000245310086 525272821 /nfs/dbraw/zinc/27/28/21/525272821.db2.gz HMOJGKUPOBIJBW-VXNXHJTFSA-N 1 1 365.517 4.872 50 0 FJAAMO Cc1ccc(C(C)C)c(OCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000020118191 526248183 /nfs/dbraw/zinc/24/81/83/526248183.db2.gz QNUNVQVNDQHGCE-UHFFFAOYSA-N 1 1 366.549 4.705 50 0 FJAAMO Fc1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000020477332 526314059 /nfs/dbraw/zinc/31/40/59/526314059.db2.gz FZKIFTYFXDFFDN-UHFFFAOYSA-N 1 1 364.464 4.840 50 0 FJAAMO CCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 ZINC000091620244 536119094 /nfs/dbraw/zinc/11/90/94/536119094.db2.gz WILMWOHAZLLVSJ-MRXNPFEDSA-N 1 1 366.534 4.866 50 0 FJAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216076815 568104277 /nfs/dbraw/zinc/10/42/77/568104277.db2.gz IHNDGWAXWUSDLN-HZPDHXFCSA-N 1 1 357.448 4.891 50 0 FJAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000799165 570456994 /nfs/dbraw/zinc/45/69/94/570456994.db2.gz UBSZWJQSQYZWPU-OAHLLOKOSA-N 1 1 374.271 4.667 50 0 FJAAMO Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000000848796 570460270 /nfs/dbraw/zinc/46/02/70/570460270.db2.gz KVPMZTMVCZWXSC-PKTZIBPZSA-N 1 1 374.528 4.739 50 0 FJAAMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095506694 570464212 /nfs/dbraw/zinc/46/42/12/570464212.db2.gz UAKDROIOJRBSEX-LJQANCHMSA-N 1 1 361.489 4.895 50 0 FJAAMO c1ccc(C2(c3ccccc3)CCC[N@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000095507010 570464293 /nfs/dbraw/zinc/46/42/93/570464293.db2.gz XWQKYIHXNDROCW-UHFFFAOYSA-N 1 1 359.473 4.529 50 0 FJAAMO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000072318944 570526729 /nfs/dbraw/zinc/52/67/29/570526729.db2.gz NFGAVFLOLVHREW-UHFFFAOYSA-N 1 1 359.832 4.941 50 0 FJAAMO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000072318944 570526731 /nfs/dbraw/zinc/52/67/31/570526731.db2.gz NFGAVFLOLVHREW-UHFFFAOYSA-N 1 1 359.832 4.941 50 0 FJAAMO CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000034669943 570527110 /nfs/dbraw/zinc/52/71/10/570527110.db2.gz OUAQBDHTYHZCNA-RBDMOPTHSA-N 1 1 368.496 4.694 50 0 FJAAMO Cc1ccc(COc2ccccc2C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000113398096 570544249 /nfs/dbraw/zinc/54/42/49/570544249.db2.gz YEYIENLGRSTTLQ-UHFFFAOYSA-N 1 1 357.457 4.740 50 0 FJAAMO COc1cc(Cl)cc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1 ZINC000010315523 570699722 /nfs/dbraw/zinc/69/97/22/570699722.db2.gz FERPPZDHJODYLQ-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO Cc1ccccc1SC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000012031029 570714525 /nfs/dbraw/zinc/71/45/25/570714525.db2.gz RIFURRREZIJYBR-UHFFFAOYSA-N 1 1 365.502 4.802 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012197985 570726745 /nfs/dbraw/zinc/72/67/45/570726745.db2.gz UOERYGBEQSEUMT-QHCPKHFHSA-N 1 1 356.469 4.844 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000012303720 570734476 /nfs/dbraw/zinc/73/44/76/570734476.db2.gz OWWATPBUIZLSBP-HNNXBMFYSA-N 1 1 353.409 4.862 50 0 FJAAMO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000012431299 570744315 /nfs/dbraw/zinc/74/43/15/570744315.db2.gz FIYVOBYGADRCGZ-KRWDZBQOSA-N 1 1 350.384 4.504 50 0 FJAAMO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccs2)cs1 ZINC000012794507 570762698 /nfs/dbraw/zinc/76/26/98/570762698.db2.gz RVFMLLRUSPKZIG-AWEZNQCLSA-N 1 1 371.531 4.545 50 0 FJAAMO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@H](C)c2cccs2)cs1 ZINC000012794504 570762805 /nfs/dbraw/zinc/76/28/05/570762805.db2.gz RVFMLLRUSPKZIG-CQSZACIVSA-N 1 1 371.531 4.545 50 0 FJAAMO CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1 ZINC000032751308 570792156 /nfs/dbraw/zinc/79/21/56/570792156.db2.gz PXUUWWBNEPTPEX-UHFFFAOYSA-N 1 1 372.266 4.521 50 0 FJAAMO CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1 ZINC000032751308 570792157 /nfs/dbraw/zinc/79/21/57/570792157.db2.gz PXUUWWBNEPTPEX-UHFFFAOYSA-N 1 1 372.266 4.521 50 0 FJAAMO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C(C)C)C2 ZINC000013878730 570794794 /nfs/dbraw/zinc/79/47/94/570794794.db2.gz JMSPCTGDYFVMJZ-UHFFFAOYSA-N 1 1 371.531 4.750 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000015070579 570831475 /nfs/dbraw/zinc/83/14/75/570831475.db2.gz PPEIFBWMCASMCQ-HNNXBMFYSA-N 1 1 371.406 4.874 50 0 FJAAMO O=C(C1CCCC1)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000015074254 570832077 /nfs/dbraw/zinc/83/20/77/570832077.db2.gz AYILSPZKGHOJJO-HXUWFJFHSA-N 1 1 374.956 4.591 50 0 FJAAMO Cc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000015358655 570838231 /nfs/dbraw/zinc/83/82/31/570838231.db2.gz JCNYHVFFCORKCF-FQEVSTJZSA-N 1 1 372.440 4.652 50 0 FJAAMO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000019143419 570881253 /nfs/dbraw/zinc/88/12/53/570881253.db2.gz DVXLAKNXUZPLEI-HNNXBMFYSA-N 1 1 363.417 4.764 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(CC)cc2)no1 ZINC000021719993 570933436 /nfs/dbraw/zinc/93/34/36/570933436.db2.gz JUKSTEVCRIAWNT-OAQYLSRUSA-N 1 1 364.493 4.917 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(CC)cc2)no1 ZINC000021719993 570933440 /nfs/dbraw/zinc/93/34/40/570933440.db2.gz JUKSTEVCRIAWNT-OAQYLSRUSA-N 1 1 364.493 4.917 50 0 FJAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000022078181 570939024 /nfs/dbraw/zinc/93/90/24/570939024.db2.gz QZDKTMYGVONXAB-UZLBHIALSA-N 1 1 358.570 4.656 50 0 FJAAMO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664513 571018546 /nfs/dbraw/zinc/01/85/46/571018546.db2.gz ZPGDFGDGXIFPET-FQEVSTJZSA-N 1 1 356.897 4.605 50 0 FJAAMO CC[NH+](CC)CCNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428334 571032572 /nfs/dbraw/zinc/03/25/72/571032572.db2.gz PGBDZRXTXIQVMK-UHFFFAOYSA-N 1 1 369.940 4.774 50 0 FJAAMO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029483802 571040378 /nfs/dbraw/zinc/04/03/78/571040378.db2.gz NWNLBXIHYPINLX-HSZRJFAPSA-N 1 1 356.469 4.911 50 0 FJAAMO CCc1cccc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000072294147 571050069 /nfs/dbraw/zinc/05/00/69/571050069.db2.gz DRSVREICQLEHSX-LJQANCHMSA-N 1 1 365.521 4.686 50 0 FJAAMO CCCC[N@@H+](C)Cc1c(=O)c2cc(OC)ccc2[nH]c1-c1ccccc1 ZINC000008572497 571050560 /nfs/dbraw/zinc/05/05/60/571050560.db2.gz SYDOWOUZLYGEKI-UHFFFAOYSA-N 1 1 350.462 4.848 50 0 FJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087174 571061960 /nfs/dbraw/zinc/06/19/60/571061960.db2.gz GFHNOLSKXCVYAO-MRXNPFEDSA-N 1 1 361.507 4.891 50 0 FJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087135 571062134 /nfs/dbraw/zinc/06/21/34/571062134.db2.gz 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C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000084656041 571095228 /nfs/dbraw/zinc/09/52/28/571095228.db2.gz CGFWEOJYWXJTOX-PBHICJAKSA-N 1 1 369.415 4.955 50 0 FJAAMO Cc1cccc(C)c1OCCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000009184788 571100148 /nfs/dbraw/zinc/10/01/48/571100148.db2.gz BDCITPDMWCPVIH-UHFFFAOYSA-N 1 1 363.505 4.718 50 0 FJAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000070016992 571107811 /nfs/dbraw/zinc/10/78/11/571107811.db2.gz ZSIIOLCRFLSNJD-OAHLLOKOSA-N 1 1 351.277 4.604 50 0 FJAAMO Fc1cccc([C@@H]2CCCCC[N@H+]2Cc2cc(-c3cccnc3)no2)c1 ZINC000243901456 571112598 /nfs/dbraw/zinc/11/25/98/571112598.db2.gz BBQHRJRKZQTZCG-NRFANRHFSA-N 1 1 351.425 4.993 50 0 FJAAMO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000012810542 571112816 /nfs/dbraw/zinc/11/28/16/571112816.db2.gz RCCSXDKXWUCIDZ-NRFANRHFSA-N 1 1 363.457 4.701 50 0 FJAAMO COCc1cc(C[N@@H+](Cc2ccc(SC)cc2)C2CC2)ccc1OC ZINC000055042100 571115598 /nfs/dbraw/zinc/11/55/98/571115598.db2.gz 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ZINC000058169393 571127015 /nfs/dbraw/zinc/12/70/15/571127015.db2.gz JZWBFYPNTWEHFQ-DEOSSOPVSA-N 1 1 374.484 4.630 50 0 FJAAMO Cc1ccc(Cn2nc(C[NH2+]Cc3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000248087747 571127299 /nfs/dbraw/zinc/12/72/99/571127299.db2.gz KOIBCHCCTKCOGY-UHFFFAOYSA-N 1 1 368.484 4.592 50 0 FJAAMO Cc1ccc(C[NH2+]Cc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000248111933 571127807 /nfs/dbraw/zinc/12/78/07/571127807.db2.gz RAJARYFXXOLLRQ-UHFFFAOYSA-N 1 1 368.484 4.592 50 0 FJAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000020734808 571143767 /nfs/dbraw/zinc/14/37/67/571143767.db2.gz PIWNHRLQWBDFSI-CVEARBPZSA-N 1 1 357.885 4.545 50 0 FJAAMO O=C(C[NH+]1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000052537824 571146581 /nfs/dbraw/zinc/14/65/81/571146581.db2.gz OJMRNZKDUWWMNP-UHFFFAOYSA-N 1 1 358.279 4.511 50 0 FJAAMO O=C(NC1CC1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739900 571147356 /nfs/dbraw/zinc/14/73/56/571147356.db2.gz MCSJNHLWWGWDSR-NQIIRXRSSA-N 1 1 368.908 4.572 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C)cc1 ZINC000012945866 571153442 /nfs/dbraw/zinc/15/34/42/571153442.db2.gz JMYKDUWRMRQCPI-NRFANRHFSA-N 1 1 352.478 4.559 50 0 FJAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000004688723 571161613 /nfs/dbraw/zinc/16/16/13/571161613.db2.gz UEAXCDRBRBTKKU-HZPDHXFCSA-N 1 1 373.953 4.710 50 0 FJAAMO Cc1ccccc1NC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000075358133 571162626 /nfs/dbraw/zinc/16/26/26/571162626.db2.gz DVBWIPYRNQCXNP-UHFFFAOYSA-N 1 1 365.452 4.866 50 0 FJAAMO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cncn2C2CCCCC2)CC1 ZINC000072163313 571176102 /nfs/dbraw/zinc/17/61/02/571176102.db2.gz GAFVVBSEDCQWQE-UHFFFAOYSA-N 1 1 365.521 4.511 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229657451 571178119 /nfs/dbraw/zinc/17/81/19/571178119.db2.gz ZBYJAJDJZJDFFS-MNVSYLFESA-N 1 1 361.482 4.973 50 0 FJAAMO CCCc1nc2ccc(CCC(=O)Nc3cccc(SC)c3)cc2[nH]1 ZINC000075465661 571186270 /nfs/dbraw/zinc/18/62/70/571186270.db2.gz MBSMQZRQPVEXRB-UHFFFAOYSA-N 1 1 353.491 4.809 50 0 FJAAMO Cn1cc(C[N@@H+](C)CCC(C)(C)O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072447191 571197061 /nfs/dbraw/zinc/19/70/61/571197061.db2.gz CHNWAZGTOYZDAY-UHFFFAOYSA-N 1 1 369.553 4.728 50 0 FJAAMO Cn1cc(C[N@@H+](C)CC(C)(C)CO)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072473738 571198547 /nfs/dbraw/zinc/19/85/47/571198547.db2.gz LKYPNNDIDSYZQO-UHFFFAOYSA-N 1 1 369.553 4.585 50 0 FJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@@H](O)c2ccccc2)cc1 ZINC000036095313 571205280 /nfs/dbraw/zinc/20/52/80/571205280.db2.gz MNSVVPZZEMTHDF-XMMPIXPASA-N 1 1 361.485 4.739 50 0 FJAAMO Cc1cc(-c2cccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)c2)c(Cl)cc1F ZINC000534653104 571207395 /nfs/dbraw/zinc/20/73/95/571207395.db2.gz LXXYMWLSWWCPJV-KRWDZBQOSA-N 1 1 374.887 4.669 50 0 FJAAMO Cc1cc(-c2cccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)c2)c(Cl)cc1F ZINC000534653105 571207404 /nfs/dbraw/zinc/20/74/04/571207404.db2.gz LXXYMWLSWWCPJV-QGZVFWFLSA-N 1 1 374.887 4.669 50 0 FJAAMO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1nc2c(s1)CCCC2 ZINC000097016237 571217845 /nfs/dbraw/zinc/21/78/45/571217845.db2.gz VRGPSGDAKFDWQN-SNVBAGLBSA-N 1 1 369.303 4.774 50 0 FJAAMO Clc1cccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1Cl ZINC000033339325 571236338 /nfs/dbraw/zinc/23/63/38/571236338.db2.gz SEOSVDFYKDQSQO-YVMONPNESA-N 1 1 361.316 4.824 50 0 FJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000014170187 571271587 /nfs/dbraw/zinc/27/15/87/571271587.db2.gz GAOXKZLAUHNWKT-OAHLLOKOSA-N 1 1 367.276 4.543 50 0 FJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccccc1F)[NH2+]C2 ZINC000055028126 571318114 /nfs/dbraw/zinc/31/81/14/571318114.db2.gz BWCZEGWAXPCNCX-QFIPXVFZSA-N 1 1 366.436 4.606 50 0 FJAAMO CC[C@H](C)C(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822769 571326313 /nfs/dbraw/zinc/32/63/13/571326313.db2.gz GJJKYTBLENQIRA-YSVLISHTSA-N 1 1 357.416 4.678 50 0 FJAAMO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2c(Cl)cccc2N(C)C)c1 ZINC000095450148 571329822 /nfs/dbraw/zinc/32/98/22/571329822.db2.gz DVFZNYGMBFMGRA-UHFFFAOYSA-N 1 1 373.928 4.680 50 0 FJAAMO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1OC ZINC000095450979 571329868 /nfs/dbraw/zinc/32/98/68/571329868.db2.gz CQRSEBAIKAJALC-KGLIPLIRSA-N 1 1 360.523 4.841 50 0 FJAAMO Cc1ccc2c(CNc3cccc4c3C[N@@H+](C(C)C)C4)cc(=O)oc2c1C ZINC000095460350 571330170 /nfs/dbraw/zinc/33/01/70/571330170.db2.gz YASHNRBCZHUEOI-UHFFFAOYSA-N 1 1 362.473 4.746 50 0 FJAAMO Fc1ccc([C@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852989 571331820 /nfs/dbraw/zinc/33/18/20/571331820.db2.gz UBYDNAUFEACREV-IBGZPJMESA-N 1 1 351.425 4.887 50 0 FJAAMO C[C@]1([NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)CCCc2ccccc21 ZINC000095953323 571332793 /nfs/dbraw/zinc/33/27/93/571332793.db2.gz DTUJSRLJURSYGK-FQEVSTJZSA-N 1 1 353.853 4.731 50 0 FJAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)NC(C)C)o2)s1 ZINC000096280609 571335083 /nfs/dbraw/zinc/33/50/83/571335083.db2.gz WIWJVRCPSPRXSY-UHFFFAOYSA-N 1 1 362.539 4.836 50 0 FJAAMO CCCCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)[nH+]2)cc1 ZINC000021794259 571336003 /nfs/dbraw/zinc/33/60/03/571336003.db2.gz ISGLSGCAIPJINY-UHFFFAOYSA-N 1 1 367.497 4.648 50 0 FJAAMO CCCCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)[nH+]c(C)n2)cc1 ZINC000021794259 571336004 /nfs/dbraw/zinc/33/60/04/571336004.db2.gz ISGLSGCAIPJINY-UHFFFAOYSA-N 1 1 367.497 4.648 50 0 FJAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002974707 204071371 /nfs/dbraw/zinc/07/13/71/204071371.db2.gz FPTOIWSDTSNLQF-UHFFFAOYSA-N 1 1 372.472 4.844 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)cc1 ZINC000003060951 204076954 /nfs/dbraw/zinc/07/69/54/204076954.db2.gz RTQQYPHSBPKLQQ-UHFFFAOYSA-N 1 1 359.583 4.811 50 0 FJAAMO CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)c(N(CC)CC)[nH+]1 ZINC000004390499 204136749 /nfs/dbraw/zinc/13/67/49/204136749.db2.gz ZMIFIVUHMRVLHT-UHFFFAOYSA-N 1 1 374.916 4.680 50 0 FJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2ccccc2c1 ZINC000004380976 204137575 /nfs/dbraw/zinc/13/75/75/204137575.db2.gz HLNGTXVJYKEYLD-GMAHTHKFSA-N 1 1 356.469 4.596 50 0 FJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000005483349 204210497 /nfs/dbraw/zinc/21/04/97/204210497.db2.gz AUGQGIIBFUMGKU-CQSZACIVSA-N 1 1 374.893 4.715 50 0 FJAAMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000006870038 204278533 /nfs/dbraw/zinc/27/85/33/204278533.db2.gz MOJHPKFCLSNNML-UHFFFAOYSA-N 1 1 358.445 4.918 50 0 FJAAMO C[C@H]1C[NH+](Cc2ccccc2NCc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000058363130 212005984 /nfs/dbraw/zinc/00/59/84/212005984.db2.gz WVYCSBMHJZKLMI-GJZGRUSLSA-N 1 1 362.876 4.700 50 0 FJAAMO CC(C)CC[N@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031912 205001176 /nfs/dbraw/zinc/00/11/76/205001176.db2.gz MTYGVOWCWWPKFH-SFHVURJKSA-N 1 1 367.942 4.690 50 0 FJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)n1 ZINC000036063918 205001211 /nfs/dbraw/zinc/00/12/11/205001211.db2.gz KMQSBKDLDBZHLD-MSOLQXFVSA-N 1 1 371.525 4.558 50 0 FJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)n1 ZINC000036063918 205001215 /nfs/dbraw/zinc/00/12/15/205001215.db2.gz KMQSBKDLDBZHLD-MSOLQXFVSA-N 1 1 371.525 4.558 50 0 FJAAMO CC[C@H](C)[N@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098787 205005523 /nfs/dbraw/zinc/00/55/23/205005523.db2.gz IBJNXAISHPAMLM-PXNSSMCTSA-N 1 1 361.913 4.689 50 0 FJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000036347920 205010224 /nfs/dbraw/zinc/01/02/24/205010224.db2.gz UXBJZGLGOORRKO-HSZRJFAPSA-N 1 1 362.473 4.501 50 0 FJAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347923 205010422 /nfs/dbraw/zinc/01/04/22/205010422.db2.gz ABDYSXXHYZOOAO-QHCPKHFHSA-N 1 1 362.473 4.501 50 0 FJAAMO Cc1ccc(NC(=S)NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000013524063 220071038 /nfs/dbraw/zinc/07/10/38/220071038.db2.gz YWDVXRJHWGVKPF-MOPGFXCFSA-N 1 1 367.562 4.673 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)cc1OC ZINC000048276432 205154390 /nfs/dbraw/zinc/15/43/90/205154390.db2.gz ZCRWASVRCLSXAP-IBGZPJMESA-N 1 1 364.445 4.696 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)cc1OC ZINC000048276432 205154393 /nfs/dbraw/zinc/15/43/93/205154393.db2.gz ZCRWASVRCLSXAP-IBGZPJMESA-N 1 1 364.445 4.696 50 0 FJAAMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)oc2C)c1 ZINC000048299924 205156951 /nfs/dbraw/zinc/15/69/51/205156951.db2.gz YRGKLFZIGNXQRF-HXUWFJFHSA-N 1 1 362.473 4.866 50 0 FJAAMO Cc1ccc(C[N@H+](Cc2cccn2-c2ccccn2)Cc2ccncc2)s1 ZINC000055042378 205205246 /nfs/dbraw/zinc/20/52/46/205205246.db2.gz BVRYVBVJBZQHEM-UHFFFAOYSA-N 1 1 374.513 4.840 50 0 FJAAMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ccccn2)Cc2ccncc2)s1 ZINC000055042378 205205250 /nfs/dbraw/zinc/20/52/50/205205250.db2.gz BVRYVBVJBZQHEM-UHFFFAOYSA-N 1 1 374.513 4.840 50 0 FJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000058169394 205253880 /nfs/dbraw/zinc/25/38/80/205253880.db2.gz JZWBFYPNTWEHFQ-XMMPIXPASA-N 1 1 374.484 4.630 50 0 FJAAMO COc1cc(C)c(-c2c(-c3ccccc3)ncn2Cc2[nH]cc[nH+]2)cc1C ZINC000065468595 205353795 /nfs/dbraw/zinc/35/37/95/205353795.db2.gz DARVTTSFROPJBV-UHFFFAOYSA-N 1 1 358.445 4.614 50 0 FJAAMO COc1ccccc1/C=C/c1c(-c2ccccc2)ncn1Cc1[nH]cc[nH+]1 ZINC000065397221 205346077 /nfs/dbraw/zinc/34/60/77/205346077.db2.gz TYPCCCPZAARWCH-VAWYXSNFSA-N 1 1 356.429 4.501 50 0 FJAAMO Cc1cc(C)nc(NC(=O)c2cccc(C[N@@H+](C)[C@@H](C)c3cccnc3)c2)c1 ZINC000065407506 205347878 /nfs/dbraw/zinc/34/78/78/205347878.db2.gz WBKXBLQARAVYHK-SFHVURJKSA-N 1 1 374.488 4.539 50 0 FJAAMO Cc1cc(C)nc(NC(=O)c2cccc(C[N@H+](C)[C@@H](C)c3cccnc3)c2)c1 ZINC000065407506 205347881 /nfs/dbraw/zinc/34/78/81/205347881.db2.gz WBKXBLQARAVYHK-SFHVURJKSA-N 1 1 374.488 4.539 50 0 FJAAMO Fc1cc(Oc2ccc(C(F)(F)F)cn2)cc(F)c1C[NH+]1CCCC1 ZINC000067713953 205384775 /nfs/dbraw/zinc/38/47/75/205384775.db2.gz FVALTABFBIHJCU-UHFFFAOYSA-N 1 1 358.310 4.767 50 0 FJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836976 220168316 /nfs/dbraw/zinc/16/83/16/220168316.db2.gz FYCIUZHZIHZQHI-HXUWFJFHSA-N 1 1 355.478 4.830 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003584459 206163270 /nfs/dbraw/zinc/16/32/70/206163270.db2.gz MZVOBMAJIRWEAU-UHFFFAOYSA-N 1 1 374.912 4.717 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003584459 206163275 /nfs/dbraw/zinc/16/32/75/206163275.db2.gz MZVOBMAJIRWEAU-UHFFFAOYSA-N 1 1 374.912 4.717 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004914590 206185002 /nfs/dbraw/zinc/18/50/02/206185002.db2.gz AKMNCHYPLKUWEV-BGYRXZFFSA-N 1 1 369.505 4.852 50 0 FJAAMO O=C1CCCC2=C1C1(CCCC1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000104133899 206236388 /nfs/dbraw/zinc/23/63/88/206236388.db2.gz JZMUVZCKJLJSDO-UHFFFAOYSA-N 1 1 352.463 4.828 50 0 FJAAMO Fc1ccccc1OC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000215020659 206343582 /nfs/dbraw/zinc/34/35/82/206343582.db2.gz BNIATXQAOOWUQZ-HNNXBMFYSA-N 1 1 365.395 4.718 50 0 FJAAMO CCOc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)o2)cc1 ZINC000216194592 206356161 /nfs/dbraw/zinc/35/61/61/206356161.db2.gz OKWWYQAERVTQFR-SFHVURJKSA-N 1 1 363.461 4.515 50 0 FJAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000216158998 206356894 /nfs/dbraw/zinc/35/68/94/206356894.db2.gz BQSUVBAZBHPBCT-QGZVFWFLSA-N 1 1 367.880 4.524 50 0 FJAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000057024549 206384618 /nfs/dbraw/zinc/38/46/18/206384618.db2.gz RFSZZHAMOCZYAR-FQEVSTJZSA-N 1 1 366.486 4.535 50 0 FJAAMO FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852729 206394095 /nfs/dbraw/zinc/39/40/95/206394095.db2.gz JZGZHZKUFRWCFH-HNNXBMFYSA-N 1 1 359.395 4.961 50 0 FJAAMO C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000023701948 211393101 /nfs/dbraw/zinc/39/31/01/211393101.db2.gz GFEGGFNSLXEIBM-KRWDZBQOSA-N 1 1 359.429 4.591 50 0 FJAAMO C[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000023701948 211393105 /nfs/dbraw/zinc/39/31/05/211393105.db2.gz GFEGGFNSLXEIBM-KRWDZBQOSA-N 1 1 359.429 4.591 50 0 FJAAMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000022936800 211370377 /nfs/dbraw/zinc/37/03/77/211370377.db2.gz MWBWEQMWMDFAOP-OAQYLSRUSA-N 1 1 372.940 4.801 50 0 FJAAMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000022936800 211370381 /nfs/dbraw/zinc/37/03/81/211370381.db2.gz MWBWEQMWMDFAOP-OAQYLSRUSA-N 1 1 372.940 4.801 50 0 FJAAMO COc1ccc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000022240767 211345243 /nfs/dbraw/zinc/34/52/43/211345243.db2.gz QBAMKUXSDYUDNN-UHFFFAOYSA-N 1 1 357.457 4.642 50 0 FJAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019832139 211258231 /nfs/dbraw/zinc/25/82/31/211258231.db2.gz IXJLDVZMNVFTFG-UHFFFAOYSA-N 1 1 368.830 4.677 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016339277 211158217 /nfs/dbraw/zinc/15/82/17/211158217.db2.gz XALLLQPDIQKWJX-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016339277 211158219 /nfs/dbraw/zinc/15/82/19/211158219.db2.gz XALLLQPDIQKWJX-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862307 211147095 /nfs/dbraw/zinc/14/70/95/211147095.db2.gz UVABPLVMKHOCSM-UHFFFAOYSA-N 1 1 354.881 4.902 50 0 FJAAMO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862292 211146661 /nfs/dbraw/zinc/14/66/61/211146661.db2.gz PTGHRGXPWICXQJ-UHFFFAOYSA-N 1 1 358.844 4.733 50 0 FJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](C2CCCCC2)C3)cc1 ZINC000014950563 211107234 /nfs/dbraw/zinc/10/72/34/211107234.db2.gz NAZNGOXBWMWCDU-UHFFFAOYSA-N 1 1 367.489 4.898 50 0 FJAAMO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000013040167 211022580 /nfs/dbraw/zinc/02/25/80/211022580.db2.gz LXVKUPUJLVMJRY-LLVKDONJSA-N 1 1 371.695 4.614 50 0 FJAAMO CC(C)c1cc(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 ZINC000065527438 221230639 /nfs/dbraw/zinc/23/06/39/221230639.db2.gz WBYNRZBJVMMNSP-SFHVURJKSA-N 1 1 363.461 4.555 50 0 FJAAMO Clc1ccc2nc(N3CCC[C@H](c4[nH+]ccn4CC4CC4)C3)ccc2c1 ZINC000082083760 132193952 /nfs/dbraw/zinc/19/39/52/132193952.db2.gz LLKJIIGGGWUAHA-KRWDZBQOSA-N 1 1 366.896 4.879 50 0 FJAAMO Fc1cc(F)c2nccc(N3CCC(c4[nH+]ccn4CC4CC4)CC3)c2c1 ZINC000095528584 132215096 /nfs/dbraw/zinc/21/50/96/132215096.db2.gz DXVJJKKGVDWWSY-UHFFFAOYSA-N 1 1 368.431 4.504 50 0 FJAAMO O=C(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000052537671 136124482 /nfs/dbraw/zinc/12/44/82/136124482.db2.gz VPRSFDNKFYYOGY-UHFFFAOYSA-N 1 1 370.496 4.749 50 0 FJAAMO COc1ccccc1N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000055543690 136126931 /nfs/dbraw/zinc/12/69/31/136126931.db2.gz LCXPGDOUMIOKCS-UHFFFAOYSA-N 1 1 374.484 4.810 50 0 FJAAMO FC(F)(F)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543574 136126977 /nfs/dbraw/zinc/12/69/77/136126977.db2.gz CKDPAIWXJZDFRF-UHFFFAOYSA-N 1 1 354.803 4.681 50 0 FJAAMO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000055543398 136127050 /nfs/dbraw/zinc/12/70/50/136127050.db2.gz VDIVKKNESNONFV-UHFFFAOYSA-N 1 1 354.803 4.681 50 0 FJAAMO O=C(c1ccccc1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095369156 221871224 /nfs/dbraw/zinc/87/12/24/221871224.db2.gz FJJQSNWFKXWHKR-QFIPXVFZSA-N 1 1 374.528 4.561 50 0 FJAAMO CC(=O)Nc1nc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)cs1 ZINC000096955997 222146833 /nfs/dbraw/zinc/14/68/33/222146833.db2.gz GKDBEEWVHOGECZ-IBGZPJMESA-N 1 1 359.539 4.787 50 0 FJAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019796845 521639943 /nfs/dbraw/zinc/63/99/43/521639943.db2.gz SYNLLDGNRQTWFC-CQSZACIVSA-N 1 1 353.293 4.827 50 0 FJAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019796845 521639947 /nfs/dbraw/zinc/63/99/47/521639947.db2.gz SYNLLDGNRQTWFC-CQSZACIVSA-N 1 1 353.293 4.827 50 0 FJAAMO Cc1cc(C)n(CC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000085436408 524514471 /nfs/dbraw/zinc/51/44/71/524514471.db2.gz WCSDEHSUXVUTGO-UHFFFAOYSA-N 1 1 366.534 4.536 50 0 FJAAMO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000245237485 524947014 /nfs/dbraw/zinc/94/70/14/524947014.db2.gz KTLOUFPCYIBSBC-SBUREZEXSA-N 1 1 358.485 4.636 50 0 FJAAMO Cc1ccccc1Cn1c2ccccc2n(CCCOc2ccccc2)c1=[NH2+] ZINC000019809299 525209967 /nfs/dbraw/zinc/20/99/67/525209967.db2.gz RSIYDUADQUFRSY-UHFFFAOYSA-N 1 1 371.484 4.748 50 0 FJAAMO C[C@H](OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc2ccccc2c1 ZINC000089904630 525888195 /nfs/dbraw/zinc/88/81/95/525888195.db2.gz FWGDKNXPLGEOIE-HTAPYJJXSA-N 1 1 360.457 4.504 50 0 FJAAMO C[C@H](OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnc2ccccc2c1 ZINC000089904630 525888200 /nfs/dbraw/zinc/88/82/00/525888200.db2.gz FWGDKNXPLGEOIE-HTAPYJJXSA-N 1 1 360.457 4.504 50 0 FJAAMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000048290924 526081185 /nfs/dbraw/zinc/08/11/85/526081185.db2.gz BILMVKJJVDYTNW-QGZVFWFLSA-N 1 1 354.475 4.619 50 0 FJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccc(F)cc2s1 ZINC000020936110 526580863 /nfs/dbraw/zinc/58/08/63/526580863.db2.gz LBHOHHGYGYAWCQ-MRXNPFEDSA-N 1 1 372.465 4.590 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1 ZINC000020560707 526665341 /nfs/dbraw/zinc/66/53/41/526665341.db2.gz PVDYDUZNUAGAAF-AUYOJAJCSA-N 1 1 363.379 4.907 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000020560707 526665344 /nfs/dbraw/zinc/66/53/44/526665344.db2.gz PVDYDUZNUAGAAF-AUYOJAJCSA-N 1 1 363.379 4.907 50 0 FJAAMO FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)cc1 ZINC000082125878 527681363 /nfs/dbraw/zinc/68/13/63/527681363.db2.gz VVYFYMXJMNSKDH-QGZVFWFLSA-N 1 1 363.427 4.692 50 0 FJAAMO FC(F)(F)c1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239274878 527681773 /nfs/dbraw/zinc/68/17/73/527681773.db2.gz AVAXCWYVNPJHNB-PMACEKPBSA-N 1 1 366.471 4.934 50 0 FJAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)on1 ZINC000032932771 568427492 /nfs/dbraw/zinc/42/74/92/568427492.db2.gz CKKLRSVJAISYQM-LJQANCHMSA-N 1 1 366.461 4.858 50 0 FJAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)on1 ZINC000032932771 568427493 /nfs/dbraw/zinc/42/74/93/568427493.db2.gz CKKLRSVJAISYQM-LJQANCHMSA-N 1 1 366.461 4.858 50 0 FJAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033268852 568477013 /nfs/dbraw/zinc/47/70/13/568477013.db2.gz IRKXTZVOTUTZRV-UHFFFAOYSA-N 1 1 369.534 4.600 50 0 FJAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N(Cc1ccsc1)C1CCCC1 ZINC000095390415 570460747 /nfs/dbraw/zinc/46/07/47/570460747.db2.gz JMHYOMMMEYIYNQ-GOSISDBHSA-N 1 1 372.534 4.525 50 0 FJAAMO CCn1cc[nH+]c1C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000095523453 570468018 /nfs/dbraw/zinc/46/80/18/570468018.db2.gz JKIXNZQKSMHMIP-UHFFFAOYSA-N 1 1 356.470 4.550 50 0 FJAAMO FC(F)(F)Sc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000725270521 570542317 /nfs/dbraw/zinc/54/23/17/570542317.db2.gz LNUFPWBWGSQZGQ-UHFFFAOYSA-N 1 1 366.202 4.944 50 0 FJAAMO Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1Cl ZINC000023718873 570543365 /nfs/dbraw/zinc/54/33/65/570543365.db2.gz IGVVJHXJCOQOJF-HOTGVXAUSA-N 1 1 372.896 4.510 50 0 FJAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2cccc3ccccc32)o1 ZINC000011903981 570599261 /nfs/dbraw/zinc/59/92/61/570599261.db2.gz FDKIFPYDXOTSKY-IBGZPJMESA-N 1 1 361.470 4.758 50 0 FJAAMO C[NH+](C)CCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008373819 570680691 /nfs/dbraw/zinc/68/06/91/570680691.db2.gz XLHRQXRKGPITCX-UHFFFAOYSA-N 1 1 366.480 4.599 50 0 FJAAMO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717380 570685754 /nfs/dbraw/zinc/68/57/54/570685754.db2.gz UCQKIGDEXNPYEK-UHFFFAOYSA-N 1 1 355.526 4.860 50 0 FJAAMO CC[N@H+](Cc1ccc(C)o1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011719327 570706403 /nfs/dbraw/zinc/70/64/03/570706403.db2.gz HVUNNAAGILCBDO-HXUWFJFHSA-N 1 1 358.501 4.504 50 0 FJAAMO CCN(Cc1ccc(C)o1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011719327 570706405 /nfs/dbraw/zinc/70/64/05/570706405.db2.gz HVUNNAAGILCBDO-HXUWFJFHSA-N 1 1 358.501 4.504 50 0 FJAAMO CCN(Cc1ccc(C)o1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011719327 570706407 /nfs/dbraw/zinc/70/64/07/570706407.db2.gz HVUNNAAGILCBDO-HXUWFJFHSA-N 1 1 358.501 4.504 50 0 FJAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000011817462 570707556 /nfs/dbraw/zinc/70/75/56/570707556.db2.gz GOMVIPVQOMUEJJ-HXUWFJFHSA-N 1 1 367.537 4.856 50 0 FJAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000011817462 570707558 /nfs/dbraw/zinc/70/75/58/570707558.db2.gz GOMVIPVQOMUEJJ-HXUWFJFHSA-N 1 1 367.537 4.856 50 0 FJAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000011822097 570708891 /nfs/dbraw/zinc/70/88/91/570708891.db2.gz UQUDEUNKROZSIO-HXUWFJFHSA-N 1 1 372.468 4.969 50 0 FJAAMO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 ZINC000011842277 570709389 /nfs/dbraw/zinc/70/93/89/570709389.db2.gz GNNMLMBTXJVXTH-AWEZNQCLSA-N 1 1 368.433 4.516 50 0 FJAAMO Cc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 ZINC000011842277 570709390 /nfs/dbraw/zinc/70/93/90/570709390.db2.gz GNNMLMBTXJVXTH-AWEZNQCLSA-N 1 1 368.433 4.516 50 0 FJAAMO COc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000011912191 570711326 /nfs/dbraw/zinc/71/13/26/570711326.db2.gz AWEPPBSSRJCQGI-SFHVURJKSA-N 1 1 365.452 4.604 50 0 FJAAMO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(F)cc3Cl)c2C)cc1 ZINC000012075019 570716671 /nfs/dbraw/zinc/71/66/71/570716671.db2.gz FVFSFMWIYPLFKU-CYBMUJFWSA-N 1 1 373.859 4.833 50 0 FJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000012242620 570730890 /nfs/dbraw/zinc/73/08/90/570730890.db2.gz ZPNSOHUNLGXFFF-JKSUJKDBSA-N 1 1 357.448 4.891 50 0 FJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2cn(C)nc2-c2cccc(Cl)c2)c1 ZINC000012297827 570732781 /nfs/dbraw/zinc/73/27/81/570732781.db2.gz HFDACSASWWRGKT-OAHLLOKOSA-N 1 1 369.896 4.942 50 0 FJAAMO c1cc([C@@H]2CCCCO2)oc1C[NH2+]Cc1cccnc1Oc1ccccc1 ZINC000012320069 570736780 /nfs/dbraw/zinc/73/67/80/570736780.db2.gz XNODXFPJJHZFFG-FQEVSTJZSA-N 1 1 364.445 4.998 50 0 FJAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385807 570741298 /nfs/dbraw/zinc/74/12/98/570741298.db2.gz IMLIHJJZHIJFOA-GOSISDBHSA-N 1 1 355.503 4.512 50 0 FJAAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385808 570741393 /nfs/dbraw/zinc/74/13/93/570741393.db2.gz IMLIHJJZHIJFOA-SFHVURJKSA-N 1 1 355.503 4.512 50 0 FJAAMO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000012431298 570744074 /nfs/dbraw/zinc/74/40/74/570744074.db2.gz FIYVOBYGADRCGZ-QGZVFWFLSA-N 1 1 350.384 4.504 50 0 FJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012467680 570748276 /nfs/dbraw/zinc/74/82/76/570748276.db2.gz WDSCCIPHNPNLQA-INIZCTEOSA-N 1 1 364.514 4.985 50 0 FJAAMO CSc1ccccc1NC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012585847 570751896 /nfs/dbraw/zinc/75/18/96/570751896.db2.gz AHHMNXZXPKAOPN-INIZCTEOSA-N 1 1 361.555 4.717 50 0 FJAAMO Cc1ccc(-n2cc(C[N@H+](C)Cc3ccno3)c(-c3cccc(C)c3)n2)cc1 ZINC000012713080 570757964 /nfs/dbraw/zinc/75/79/64/570757964.db2.gz NXLFUCVIUDWXSH-UHFFFAOYSA-N 1 1 372.472 4.776 50 0 FJAAMO Cc1ccc(-n2cc(C[N@@H+](C)Cc3ccno3)c(-c3cccc(C)c3)n2)cc1 ZINC000012713080 570757966 /nfs/dbraw/zinc/75/79/66/570757966.db2.gz NXLFUCVIUDWXSH-UHFFFAOYSA-N 1 1 372.472 4.776 50 0 FJAAMO Cc1c2ccccc2[nH]c1C[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000012750438 570759454 /nfs/dbraw/zinc/75/94/54/570759454.db2.gz VNYLGEAYZFFEEM-UHFFFAOYSA-N 1 1 362.452 4.648 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012792566 570762346 /nfs/dbraw/zinc/76/23/46/570762346.db2.gz KJEYVSGMWLBADA-BETUJISGSA-N 1 1 363.914 4.527 50 0 FJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012792566 570762347 /nfs/dbraw/zinc/76/23/47/570762347.db2.gz KJEYVSGMWLBADA-BETUJISGSA-N 1 1 363.914 4.527 50 0 FJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1Cl ZINC000012980339 570770001 /nfs/dbraw/zinc/77/00/01/570770001.db2.gz LXZPGWYVOAPHAW-LJQANCHMSA-N 1 1 374.868 4.858 50 0 FJAAMO Cc1ccc(N2[C@H]3CCCCC[N@H+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301690 570776455 /nfs/dbraw/zinc/77/64/55/570776455.db2.gz QKBJYJLZSLIWFC-LEWJYISDSA-N 1 1 356.897 4.516 50 0 FJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000013776111 570791019 /nfs/dbraw/zinc/79/10/19/570791019.db2.gz UVOCKBWJADXADZ-DNVJHFABSA-N 1 1 369.480 4.703 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754461 570793780 /nfs/dbraw/zinc/79/37/80/570793780.db2.gz CXUYULCMGGMVRU-ZDUSSCGKSA-N 1 1 372.852 4.726 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754461 570793783 /nfs/dbraw/zinc/79/37/83/570793783.db2.gz CXUYULCMGGMVRU-ZDUSSCGKSA-N 1 1 372.852 4.726 50 0 FJAAMO C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000004554081 570833640 /nfs/dbraw/zinc/83/36/40/570833640.db2.gz MCTAXHIAVFVFTN-RNUYOQPASA-N 1 1 367.518 4.674 50 0 FJAAMO COc1ccc(C[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)cc1 ZINC000015486014 570839166 /nfs/dbraw/zinc/83/91/66/570839166.db2.gz XQDKGNQARZXMHH-UHFFFAOYSA-N 1 1 363.457 4.583 50 0 FJAAMO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000019228116 570883122 /nfs/dbraw/zinc/88/31/22/570883122.db2.gz GCJVVHJCXORYCH-INIZCTEOSA-N 1 1 371.406 4.874 50 0 FJAAMO Clc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000019537439 570892191 /nfs/dbraw/zinc/89/21/91/570892191.db2.gz DJYNFKKXAPSIKR-QPJJXVBHSA-N 1 1 361.316 4.824 50 0 FJAAMO O=C(C1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019834645 570904369 /nfs/dbraw/zinc/90/43/69/570904369.db2.gz OZIJATBNGVKZLU-UHFFFAOYSA-N 1 1 362.517 4.501 50 0 in-vivo FJAAMO C[N@@H+]1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1 ZINC000045336275 570907566 /nfs/dbraw/zinc/90/75/66/570907566.db2.gz VGJCKVYMMJXTIH-UHFFFAOYSA-N 1 1 358.407 4.891 50 0 FJAAMO C[N@H+]1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1 ZINC000045336275 570907571 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CCc1nc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 ZINC000048355405 570951068 /nfs/dbraw/zinc/95/10/68/570951068.db2.gz VFXMCMNNOQXUTJ-UHFFFAOYSA-N 1 1 361.898 4.880 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000024715986 570980522 /nfs/dbraw/zinc/98/05/22/570980522.db2.gz ZANBINYQLPJHJL-IFXJQAMLSA-N 1 1 358.869 4.513 50 0 FJAAMO O[C@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(Cl)cc1 ZINC000040050453 571013775 /nfs/dbraw/zinc/01/37/75/571013775.db2.gz JVVAIRMZLDCYIU-LJQANCHMSA-N 1 1 373.880 4.547 50 0 FJAAMO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCN(C)C)cc1 ZINC000028427690 571032117 /nfs/dbraw/zinc/03/21/17/571032117.db2.gz KNULAQABOYXOFU-UHFFFAOYSA-N 1 1 367.320 4.532 50 0 FJAAMO C[N@@H+](C[C@H](O)c1ccccc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028914439 571035626 /nfs/dbraw/zinc/03/56/26/571035626.db2.gz DKCBNRHIQRQBQK-VXKWHMMOSA-N 1 1 353.412 4.720 50 0 FJAAMO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)Nc1ccccc1SC(F)F ZINC000072284966 571039862 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CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000035805116 571078492 /nfs/dbraw/zinc/07/84/92/571078492.db2.gz ORWLKMDKIDUEDO-INIZCTEOSA-N 1 1 353.293 4.827 50 0 FJAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000035805116 571078495 /nfs/dbraw/zinc/07/84/95/571078495.db2.gz ORWLKMDKIDUEDO-INIZCTEOSA-N 1 1 353.293 4.827 50 0 FJAAMO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000084656040 571095108 /nfs/dbraw/zinc/09/51/08/571095108.db2.gz CGFWEOJYWXJTOX-YOEHRIQHSA-N 1 1 369.415 4.955 50 0 FJAAMO Cc1ccc(C)c(OCCn2c3ccccc3nc2C[NH+]2CCCCC2)c1 ZINC000009184787 571100139 /nfs/dbraw/zinc/10/01/39/571100139.db2.gz DXQFVNIYOODIEY-UHFFFAOYSA-N 1 1 363.505 4.718 50 0 FJAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1cc(C2CCCCC2)no1 ZINC000244734788 571115890 /nfs/dbraw/zinc/11/58/90/571115890.db2.gz NLVXMIJAKQRKJI-LJQANCHMSA-N 1 1 356.514 4.672 50 0 FJAAMO Cc1cccc(-c2ncc(C[N@H+](C)Cc3cccc4ncccc34)cn2)c1 ZINC000055154019 571117103 /nfs/dbraw/zinc/11/71/03/571117103.db2.gz IPQDUMPAYBWKNS-UHFFFAOYSA-N 1 1 354.457 4.632 50 0 FJAAMO C[C@@H]([NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000248238383 571128754 /nfs/dbraw/zinc/12/87/54/571128754.db2.gz FTMKCWQIYOTBQU-LJQANCHMSA-N 1 1 368.484 4.844 50 0 FJAAMO COc1ccc(Nc2cc(C)[nH+]c3c(C)cc(Br)c(N)c23)cc1 ZINC000000980146 571141472 /nfs/dbraw/zinc/14/14/72/571141472.db2.gz AJPVPKZLTCNXLI-UHFFFAOYSA-N 1 1 372.266 4.949 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000012896730 571142759 /nfs/dbraw/zinc/14/27/59/571142759.db2.gz RFJKNYQLLHLKIP-HXUWFJFHSA-N 1 1 374.431 4.529 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000012896730 571142763 /nfs/dbraw/zinc/14/27/63/571142763.db2.gz RFJKNYQLLHLKIP-HXUWFJFHSA-N 1 1 374.431 4.529 50 0 FJAAMO O=C(NC1CC1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739899 571147309 /nfs/dbraw/zinc/14/73/09/571147309.db2.gz MCSJNHLWWGWDSR-GHTZIAJQSA-N 1 1 368.908 4.572 50 0 FJAAMO COc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140091 571159147 /nfs/dbraw/zinc/15/91/47/571159147.db2.gz VEOVCXQCOLSBED-UHFFFAOYSA-N 1 1 373.456 4.855 50 0 FJAAMO COc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140091 571159150 /nfs/dbraw/zinc/15/91/50/571159150.db2.gz VEOVCXQCOLSBED-UHFFFAOYSA-N 1 1 373.456 4.855 50 0 FJAAMO Cn1c2ccccc2nc1-c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000072145999 571173423 /nfs/dbraw/zinc/17/34/23/571173423.db2.gz DSRWSANXERJDNQ-FQEVSTJZSA-N 1 1 358.445 4.565 50 0 FJAAMO Cc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c(C)c1 ZINC000012558918 571181652 /nfs/dbraw/zinc/18/16/52/571181652.db2.gz RQAOOPGPJBJQGV-SFHVURJKSA-N 1 1 351.494 4.733 50 0 FJAAMO CCCc1nc2ccc(CCC(=O)Nc3ccc(Cl)cc3F)cc2[nH]1 ZINC000075465684 571186310 /nfs/dbraw/zinc/18/63/10/571186310.db2.gz JCGXWWVOGSHGNP-UHFFFAOYSA-N 1 1 359.832 4.879 50 0 FJAAMO Cn1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000072448052 571197279 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COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347924 571249020 /nfs/dbraw/zinc/24/90/20/571249020.db2.gz ABDYSXXHYZOOAO-HSZRJFAPSA-N 1 1 362.473 4.501 50 0 FJAAMO Cc1cc[nH+]c(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 ZINC000006940351 571255289 /nfs/dbraw/zinc/25/52/89/571255289.db2.gz BBELDZMOEGPAIO-UHFFFAOYSA-N 1 1 370.408 4.520 50 0 FJAAMO C[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000036847559 571263393 /nfs/dbraw/zinc/26/33/93/571263393.db2.gz FODGSWMIZSILCB-NEPJUHHUSA-N 1 1 360.354 4.543 50 0 FJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000014170189 571271656 /nfs/dbraw/zinc/27/16/56/571271656.db2.gz GAOXKZLAUHNWKT-HNNXBMFYSA-N 1 1 367.276 4.543 50 0 FJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620741 571284449 /nfs/dbraw/zinc/28/44/49/571284449.db2.gz WJTWKVCMFCXHSC-IBGZPJMESA-N 1 1 369.534 4.514 50 0 FJAAMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000093889568 571327282 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4.916 50 0 FJAAMO c1ccc2sc(C[NH2+]Cc3ccc(OCc4ccncc4)cc3)nc2c1 ZINC000096747830 571336374 /nfs/dbraw/zinc/33/63/74/571336374.db2.gz LUOJLQMIUJZWNQ-UHFFFAOYSA-N 1 1 361.470 4.560 50 0 FJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000056103146 571339208 /nfs/dbraw/zinc/33/92/08/571339208.db2.gz VQLWHRXNSRKDAS-KBPBESRZSA-N 1 1 369.362 4.627 50 0 FJAAMO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)C3CCCCC3)CC2)c1 ZINC000003045537 571344071 /nfs/dbraw/zinc/34/40/71/571344071.db2.gz BTGCMUPZDQJSAS-UHFFFAOYSA-N 1 1 359.583 4.729 50 0 FJAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000057802903 571345443 /nfs/dbraw/zinc/34/54/43/571345443.db2.gz PDNQTYBOKVXAFG-OAQYLSRUSA-N 1 1 350.487 4.628 50 0 FJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000003415446 571349275 /nfs/dbraw/zinc/34/92/75/571349275.db2.gz BSXUYMOHGQKURJ-UHFFFAOYSA-N 1 1 350.487 4.632 50 0 FJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000003415446 571349276 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COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714064 204051488 /nfs/dbraw/zinc/05/14/88/204051488.db2.gz ZHCXPZNLVRDKBI-UHFFFAOYSA-N 1 1 358.445 4.536 50 0 FJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000004556151 204147036 /nfs/dbraw/zinc/14/70/36/204147036.db2.gz BFUQMMQBRKJPQA-SFHVURJKSA-N 1 1 369.534 4.853 50 0 FJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000005483345 204210540 /nfs/dbraw/zinc/21/05/40/204210540.db2.gz AUGQGIIBFUMGKU-AWEZNQCLSA-N 1 1 374.893 4.715 50 0 FJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005254861 204199439 /nfs/dbraw/zinc/19/94/39/204199439.db2.gz WGYUNJBUDLXZGQ-WWNPGLIZSA-N 1 1 369.480 4.703 50 0 FJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000006563943 204253550 /nfs/dbraw/zinc/25/35/50/204253550.db2.gz ZGSMCKOMEXOSRU-INIZCTEOSA-N 1 1 361.898 4.597 50 0 FJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](C)c2ccccn2)n1 ZINC000006589376 204254476 /nfs/dbraw/zinc/25/44/76/204254476.db2.gz OSRJPMDVMJGQGH-AWEZNQCLSA-N 1 1 369.538 4.718 50 0 FJAAMO COc1cc2c(cc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1)oc1ccccc12 ZINC000007389297 204296337 /nfs/dbraw/zinc/29/63/37/204296337.db2.gz AMGVDYNTVJAHGE-OAHLLOKOSA-N 1 1 366.461 4.654 50 0 FJAAMO Cc1[nH+]ccn1-c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000006660080 204259603 /nfs/dbraw/zinc/25/96/03/204259603.db2.gz MIJPXTKKQMYNKW-UHFFFAOYSA-N 1 1 351.413 4.557 50 0 FJAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccccc3Cl)ccc2c1 ZINC000007926566 204311231 /nfs/dbraw/zinc/31/12/31/204311231.db2.gz YYTHJCOJESAWSE-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccccc3Cl)ccc2c1 ZINC000007926566 204311236 /nfs/dbraw/zinc/31/12/36/204311236.db2.gz YYTHJCOJESAWSE-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 ZINC000008126681 204317987 /nfs/dbraw/zinc/31/79/87/204317987.db2.gz RZYLYDVIVPJXJB-KRWDZBQOSA-N 1 1 363.288 4.941 50 0 FJAAMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126766 204319649 /nfs/dbraw/zinc/31/96/49/204319649.db2.gz HXGGXHBPTDGCSA-KRWDZBQOSA-N 1 1 363.288 4.941 50 0 FJAAMO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]Cc1ccccc1 ZINC000008429073 204331657 /nfs/dbraw/zinc/33/16/57/204331657.db2.gz KRAWVXZISWSZPU-UHFFFAOYSA-N 1 1 360.288 4.836 50 0 FJAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000008881509 204347813 /nfs/dbraw/zinc/34/78/13/204347813.db2.gz RAFFZRVRIGYORI-HXUWFJFHSA-N 1 1 352.865 4.526 50 0 FJAAMO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c1Cl ZINC000009458946 204368927 /nfs/dbraw/zinc/36/89/27/204368927.db2.gz YQBKOPXJRBMNEK-LLVKDONJSA-N 1 1 357.306 4.995 50 0 FJAAMO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c1Cl ZINC000009458946 204368930 /nfs/dbraw/zinc/36/89/30/204368930.db2.gz YQBKOPXJRBMNEK-LLVKDONJSA-N 1 1 357.306 4.995 50 0 FJAAMO COc1ccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000008735150 204342485 /nfs/dbraw/zinc/34/24/85/204342485.db2.gz COYJIUSRWOYVIJ-UHFFFAOYSA-N 1 1 369.490 4.705 50 0 FJAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000012711702 220019070 /nfs/dbraw/zinc/01/90/70/220019070.db2.gz MQQBIQQOMXLLKM-DEOSSOPVSA-N 1 1 363.476 4.796 50 0 FJAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031873 205002560 /nfs/dbraw/zinc/00/25/60/205002560.db2.gz LDKQUUBGJFVHLK-FQEVSTJZSA-N 1 1 361.913 4.609 50 0 FJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000036347567 205011134 /nfs/dbraw/zinc/01/11/34/205011134.db2.gz IBGVGRJUTQRTOY-HSZRJFAPSA-N 1 1 362.473 4.501 50 0 FJAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000036394764 205015209 /nfs/dbraw/zinc/01/52/09/205015209.db2.gz AGOBJJNYTFGFEX-ZDUSSCGKSA-N 1 1 374.387 4.666 50 0 FJAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000036394764 205015214 /nfs/dbraw/zinc/01/52/14/205015214.db2.gz AGOBJJNYTFGFEX-ZDUSSCGKSA-N 1 1 374.387 4.666 50 0 FJAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc2)c1 ZINC000037122293 205024079 /nfs/dbraw/zinc/02/40/79/205024079.db2.gz YHUQJBMDOLTRRG-LJQANCHMSA-N 1 1 360.486 4.819 50 0 FJAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000039987624 205048781 /nfs/dbraw/zinc/04/87/81/205048781.db2.gz WGJDDQXQXRNNKW-UHFFFAOYSA-N 1 1 371.887 4.973 50 0 FJAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)Cc1cccc(F)c1 ZINC000039987624 205048786 /nfs/dbraw/zinc/04/87/86/205048786.db2.gz WGJDDQXQXRNNKW-UHFFFAOYSA-N 1 1 371.887 4.973 50 0 FJAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000040107912 205055705 /nfs/dbraw/zinc/05/57/05/205055705.db2.gz TYTYBJKISNHCPL-GOSISDBHSA-N 1 1 364.489 4.520 50 0 FJAAMO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000040742969 205079615 /nfs/dbraw/zinc/07/96/15/205079615.db2.gz CGYCXTRITKXDNQ-UHFFFAOYSA-N 1 1 352.865 4.912 50 0 FJAAMO COc1cc(Cl)cc(C[NH2+]Cc2ccccn2)c1OCc1ccccc1 ZINC000040722061 205076885 /nfs/dbraw/zinc/07/68/85/205076885.db2.gz PUQVVQKSMZBUJS-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO COc1cc(Cl)cc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1 ZINC000040722062 205077058 /nfs/dbraw/zinc/07/70/58/205077058.db2.gz WDDVUGWUKCRXQA-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995835 205099956 /nfs/dbraw/zinc/09/99/56/205099956.db2.gz LTIIYDXCTSIEAB-SFHVURJKSA-N 1 1 365.452 4.604 50 0 FJAAMO Cc1nc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1 ZINC000054203684 205199243 /nfs/dbraw/zinc/19/92/43/205199243.db2.gz AQDCMXWKHDTEFX-CYBMUJFWSA-N 1 1 369.465 4.694 50 0 FJAAMO COc1cc(C[NH2+][C@@H](C)c2cn3ccsc3n2)ccc1OCC=C(C)C ZINC000055401951 205217242 /nfs/dbraw/zinc/21/72/42/205217242.db2.gz ARZLASQSPADDFH-HNNXBMFYSA-N 1 1 371.506 4.600 50 0 FJAAMO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000057350860 205236360 /nfs/dbraw/zinc/23/63/60/205236360.db2.gz YKNJNDWIPXGCRM-NRFANRHFSA-N 1 1 368.477 4.822 50 0 FJAAMO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057508802 205241143 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CCC[N@@H+](C)Cc1ccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)cc1 ZINC000063848765 205295060 /nfs/dbraw/zinc/29/50/60/205295060.db2.gz YHSUHYQWHTZNIC-UHFFFAOYSA-N 1 1 367.880 4.599 50 0 FJAAMO COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)cc1 ZINC000065238997 205326957 /nfs/dbraw/zinc/32/69/57/205326957.db2.gz ZXPRLMZGNXOHMF-CQSZACIVSA-N 1 1 370.518 4.506 50 0 FJAAMO Cc1ccccc1-c1ncc(C[NH2+]Cc2nc3cc(Cl)ccc3[nH]2)s1 ZINC000067561767 205374263 /nfs/dbraw/zinc/37/42/63/205374263.db2.gz ZNQPPSRNGYKWCG-UHFFFAOYSA-N 1 1 368.893 4.938 50 0 FJAAMO Cc1cccnc1C[N@@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067739421 205387974 /nfs/dbraw/zinc/38/79/74/205387974.db2.gz ONHWMUYUUYIZOP-UHFFFAOYSA-N 1 1 373.378 4.622 50 0 FJAAMO Cc1cccnc1C[N@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067739421 205387978 /nfs/dbraw/zinc/38/79/78/205387978.db2.gz ONHWMUYUUYIZOP-UHFFFAOYSA-N 1 1 373.378 4.622 50 0 FJAAMO CC(C)c1cc(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)n[nH]1 ZINC000067804105 205392682 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COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C(C)C)c(F)c1 ZINC000012093474 570718152 /nfs/dbraw/zinc/71/81/52/570718152.db2.gz CQHZYTTUFJHIKP-UHFFFAOYSA-N 1 1 353.441 4.527 50 0 FJAAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000012193136 570725785 /nfs/dbraw/zinc/72/57/85/570725785.db2.gz IZNBFTLAGAWFNC-SFHVURJKSA-N 1 1 373.452 4.663 50 0 FJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1F ZINC000012196106 570726333 /nfs/dbraw/zinc/72/63/33/570726333.db2.gz AEBASZHZUILGRX-MRXNPFEDSA-N 1 1 361.844 4.583 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1F ZINC000012196106 570726334 /nfs/dbraw/zinc/72/63/34/570726334.db2.gz AEBASZHZUILGRX-MRXNPFEDSA-N 1 1 361.844 4.583 50 0 FJAAMO Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000012317559 570736312 /nfs/dbraw/zinc/73/63/12/570736312.db2.gz UFSIXQLWANASGS-HXUWFJFHSA-N 1 1 366.896 4.807 50 0 FJAAMO CC(C)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012317915 570736325 /nfs/dbraw/zinc/73/63/25/570736325.db2.gz UKRXLKSGUJDVER-NRFANRHFSA-N 1 1 367.493 4.713 50 0 FJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000012981730 570770427 /nfs/dbraw/zinc/77/04/27/570770427.db2.gz WVZBJQUSPLIRQU-IBGZPJMESA-N 1 1 374.868 4.858 50 0 FJAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000013758775 570789380 /nfs/dbraw/zinc/78/93/80/570789380.db2.gz KDSGEFWXLQJWCW-UEVCKROQSA-N 1 1 369.480 4.703 50 0 FJAAMO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000040049903 570838612 /nfs/dbraw/zinc/83/86/12/570838612.db2.gz QFIXLLPQKINZPN-QGZVFWFLSA-N 1 1 373.378 4.875 50 0 FJAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000040049903 570838616 /nfs/dbraw/zinc/83/86/16/570838616.db2.gz QFIXLLPQKINZPN-QGZVFWFLSA-N 1 1 373.378 4.875 50 0 FJAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1c(F)cccc1Cl ZINC000015581972 570840535 /nfs/dbraw/zinc/84/05/35/570840535.db2.gz FVJSKYPTYKXSCT-UHFFFAOYSA-N 1 1 357.860 4.631 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000046989498 570878224 /nfs/dbraw/zinc/87/82/24/570878224.db2.gz HBMMXPJWATVBDM-GFCCVEGCSA-N 1 1 361.288 4.517 50 0 FJAAMO O[C@H](C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000108064022 570902028 /nfs/dbraw/zinc/90/20/28/570902028.db2.gz OMXZPAKUEDUQIB-CTNGQTDRSA-N 1 1 371.452 4.707 50 0 FJAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000019958728 570907785 /nfs/dbraw/zinc/90/77/85/570907785.db2.gz ODHUXIGSKMAATQ-HNNXBMFYSA-N 1 1 371.406 4.874 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720324 570933554 /nfs/dbraw/zinc/93/35/54/570933554.db2.gz TUEQPMSEVDXHLM-GOSISDBHSA-N 1 1 358.482 4.672 50 0 FJAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048253455 570940024 /nfs/dbraw/zinc/94/00/24/570940024.db2.gz QWYUBEZUODFVGA-FQEVSTJZSA-N 1 1 352.409 4.826 50 0 FJAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048253455 570940026 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4.770 50 0 FJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3cccs3)c(C)o2)cc1 ZINC000012714671 571051389 /nfs/dbraw/zinc/05/13/89/571051389.db2.gz QGZCDPZMLXCUMH-ZDUSSCGKSA-N 1 1 370.474 4.691 50 0 FJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3cccs3)c(C)o2)cc1 ZINC000012714671 571051391 /nfs/dbraw/zinc/05/13/91/571051391.db2.gz QGZCDPZMLXCUMH-ZDUSSCGKSA-N 1 1 370.474 4.691 50 0 FJAAMO Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008654816 571054105 /nfs/dbraw/zinc/05/41/05/571054105.db2.gz PWCTYOKWNXKDOQ-HXUWFJFHSA-N 1 1 356.897 4.605 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000033087189 571062071 /nfs/dbraw/zinc/06/20/71/571062071.db2.gz NKRVKVUCCPRLKK-OAQYLSRUSA-N 1 1 355.478 4.830 50 0 FJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)c1 ZINC000015073530 571065821 /nfs/dbraw/zinc/06/58/21/571065821.db2.gz OGCSYCJABBUENG-LJQANCHMSA-N 1 1 364.489 4.565 50 0 FJAAMO CCn1c2ccccc2c2cc(C[N@@H+](C)C[C@@H](O)c3ccccc3)ccc21 ZINC000023280021 571070601 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COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccc(C)cc3C)ccc2c1 ZINC000012765735 571084372 /nfs/dbraw/zinc/08/43/72/571084372.db2.gz NSWJLDGLIIPZRG-UHFFFAOYSA-N 1 1 362.473 4.536 50 0 FJAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccc(C)cc3C)ccc2c1 ZINC000012765735 571084374 /nfs/dbraw/zinc/08/43/74/571084374.db2.gz NSWJLDGLIIPZRG-UHFFFAOYSA-N 1 1 362.473 4.536 50 0 FJAAMO O=C([C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1)N1CCCCC1 ZINC000084519356 571087884 /nfs/dbraw/zinc/08/78/84/571087884.db2.gz PWZJKCOWPHNWTN-LEWJYISDSA-N 1 1 368.908 4.671 50 0 FJAAMO COc1ccccc1C[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000040730240 571093919 /nfs/dbraw/zinc/09/39/19/571093919.db2.gz RJDAZDNONHSHBS-UHFFFAOYSA-N 1 1 364.283 4.535 50 0 FJAAMO Cn1c[nH+]c2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21 ZINC000000862242 571096937 /nfs/dbraw/zinc/09/69/37/571096937.db2.gz VXOBGVCQSMULMJ-UHFFFAOYSA-N 1 1 367.456 4.583 50 0 FJAAMO Clc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCCC2)cc1 ZINC000009184790 571099989 /nfs/dbraw/zinc/09/99/89/571099989.db2.gz HLFKVFKCHIFPLT-UHFFFAOYSA-N 1 1 369.896 4.755 50 0 FJAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1Oc1ccccc1 ZINC000084789072 571100141 /nfs/dbraw/zinc/10/01/41/571100141.db2.gz AZUYNDCVZMVUKI-MSOLQXFVSA-N 1 1 365.477 4.569 50 0 FJAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(C2CCCCC2)no1 ZINC000244734787 571115778 /nfs/dbraw/zinc/11/57/78/571115778.db2.gz NLVXMIJAKQRKJI-IBGZPJMESA-N 1 1 356.514 4.672 50 0 FJAAMO Cc1nc([C@H](C)[N@H+](C)CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000244796033 571117430 /nfs/dbraw/zinc/11/74/30/571117430.db2.gz RRSQSPPCCFPPOS-JTQLQIEISA-N 1 1 369.893 4.574 50 0 FJAAMO Cc1nc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000244796033 571117432 /nfs/dbraw/zinc/11/74/32/571117432.db2.gz RRSQSPPCCFPPOS-JTQLQIEISA-N 1 1 369.893 4.574 50 0 FJAAMO CN(C)CCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247983833 571127104 /nfs/dbraw/zinc/12/71/04/571127104.db2.gz JZLLIRQSFMYDBT-UHFFFAOYSA-N 1 1 373.903 4.523 50 0 FJAAMO C[NH+](C)CCCNCc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247983833 571127107 /nfs/dbraw/zinc/12/71/07/571127107.db2.gz JZLLIRQSFMYDBT-UHFFFAOYSA-N 1 1 373.903 4.523 50 0 FJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccccc1-c1ccccc1 ZINC000015831725 571130856 /nfs/dbraw/zinc/13/08/56/571130856.db2.gz PMUFAZGDGRXHMD-SFHVURJKSA-N 1 1 351.494 4.740 50 0 FJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000015836959 571134745 /nfs/dbraw/zinc/13/47/45/571134745.db2.gz NHOBITROWPWUTE-HXUWFJFHSA-N 1 1 355.478 4.830 50 0 FJAAMO Cc1ccccc1C(OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C)c1ccccc1C ZINC000253636208 571139714 /nfs/dbraw/zinc/13/97/14/571139714.db2.gz QHNFFQDJTAIQCO-RTWAWAEBSA-N 1 1 367.533 4.645 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000012912960 571144419 /nfs/dbraw/zinc/14/44/19/571144419.db2.gz YXYRNUZCPFNRAN-HXUWFJFHSA-N 1 1 372.896 4.904 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000012912960 571144421 /nfs/dbraw/zinc/14/44/21/571144421.db2.gz YXYRNUZCPFNRAN-HXUWFJFHSA-N 1 1 372.896 4.904 50 0 FJAAMO Cc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000012926588 571145935 /nfs/dbraw/zinc/14/59/35/571145935.db2.gz IRJISFXEZMCUSL-FQEVSTJZSA-N 1 1 354.450 4.513 50 0 FJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(Cl)nc1)C1CCCCC1 ZINC000026129369 571146703 /nfs/dbraw/zinc/14/67/03/571146703.db2.gz MCYZLFCXYMZNQG-UHFFFAOYSA-N 1 1 357.885 4.752 50 0 FJAAMO O=C(NC1CC1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739901 571147318 /nfs/dbraw/zinc/14/73/18/571147318.db2.gz MCSJNHLWWGWDSR-WIYYLYMNSA-N 1 1 368.908 4.572 50 0 FJAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2c(CC)cccc2CC)CC1 ZINC000004683318 571159898 /nfs/dbraw/zinc/15/98/98/571159898.db2.gz RBYTXKJXOVNTPL-UHFFFAOYSA-N 1 1 361.599 4.705 50 0 FJAAMO CCC[N@H+]1CCc2[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)cc3c2C1 ZINC000075344374 571161690 /nfs/dbraw/zinc/16/16/90/571161690.db2.gz KALPGNDSCLTLST-UHFFFAOYSA-N 1 1 366.440 4.719 50 0 FJAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072139013 571171707 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COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000012603175 571190133 /nfs/dbraw/zinc/19/01/33/571190133.db2.gz DTMDQGQIAKLKNM-DEOSSOPVSA-N 1 1 359.469 4.852 50 0 FJAAMO COC[C@H]1CC[N@@H+](Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)C1 ZINC000072431027 571195579 /nfs/dbraw/zinc/19/55/79/571195579.db2.gz ZHXYFHYZEXZOAS-KRWDZBQOSA-N 1 1 364.464 4.818 50 0 FJAAMO FC(F)COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000097105402 571204339 /nfs/dbraw/zinc/20/43/39/571204339.db2.gz SNMDXSQZIAUBBT-SFHVURJKSA-N 1 1 357.404 4.544 50 0 FJAAMO FC(F)COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000097105402 571204341 /nfs/dbraw/zinc/20/43/41/571204341.db2.gz SNMDXSQZIAUBBT-SFHVURJKSA-N 1 1 357.404 4.544 50 0 FJAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)s1 ZINC000036101662 571241858 /nfs/dbraw/zinc/24/18/58/571241858.db2.gz KBWKYIYRXYMCFG-LJQANCHMSA-N 1 1 361.551 4.653 50 0 FJAAMO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000036392976 571252798 /nfs/dbraw/zinc/25/27/98/571252798.db2.gz CKFRHJHSNKIGLB-SFHVURJKSA-N 1 1 354.494 4.642 50 0 FJAAMO CSc1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007003205 571257037 /nfs/dbraw/zinc/25/70/37/571257037.db2.gz ZDKDKWADGDWSFJ-INIZCTEOSA-N 1 1 369.534 4.838 50 0 FJAAMO Cc1ccc2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cn2c1 ZINC000007488219 571266143 /nfs/dbraw/zinc/26/61/43/571266143.db2.gz GVZJBTLIRXJQQF-INIZCTEOSA-N 1 1 362.502 4.632 50 0 FJAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000022860402 571308346 /nfs/dbraw/zinc/30/83/46/571308346.db2.gz LPDWVKCSVCIFOF-GMAHTHKFSA-N 1 1 356.554 4.541 50 0 FJAAMO COc1cc(C)c(C[N@@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000022860402 571308347 /nfs/dbraw/zinc/30/83/47/571308347.db2.gz LPDWVKCSVCIFOF-GMAHTHKFSA-N 1 1 356.554 4.541 50 0 FJAAMO COc1cc(C)c(C[N@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000022860402 571308349 /nfs/dbraw/zinc/30/83/49/571308349.db2.gz LPDWVKCSVCIFOF-GMAHTHKFSA-N 1 1 356.554 4.541 50 0 FJAAMO CC[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000095467795 571330537 /nfs/dbraw/zinc/33/05/37/571330537.db2.gz KWGVUQWDRSRWOQ-UHFFFAOYSA-N 1 1 350.934 4.589 50 0 FJAAMO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000057315201 571342553 /nfs/dbraw/zinc/34/25/53/571342553.db2.gz ZZAKGIGXAKDMEJ-LBPRGKRZSA-N 1 1 367.276 4.681 50 0 FJAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000057477905 571343582 /nfs/dbraw/zinc/34/35/82/571343582.db2.gz DJNVKUNJTSLYIZ-OAQYLSRUSA-N 1 1 363.457 4.756 50 0 FJAAMO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c1 ZINC000003061041 571344477 /nfs/dbraw/zinc/34/44/77/571344477.db2.gz XRUZYXKQCXVXAG-UHFFFAOYSA-N 1 1 359.583 4.811 50 0 FJAAMO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)C2)c1 ZINC000058096629 571348065 /nfs/dbraw/zinc/34/80/65/571348065.db2.gz UNALZXIDISPFGU-UHFFFAOYSA-N 1 1 373.953 4.819 50 0 FJAAMO Cc1ccc(C)c(C[N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)C2)c1 ZINC000058096629 571348066 /nfs/dbraw/zinc/34/80/66/571348066.db2.gz UNALZXIDISPFGU-UHFFFAOYSA-N 1 1 373.953 4.819 50 0 FJAAMO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc2ccccc2c1 ZINC000008127398 571359238 /nfs/dbraw/zinc/35/92/38/571359238.db2.gz YOCVSEPZKQJFJU-UHFFFAOYSA-N 1 1 356.828 4.703 50 0 FJAAMO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc2ccccc2c1 ZINC000008127398 571359239 /nfs/dbraw/zinc/35/92/39/571359239.db2.gz YOCVSEPZKQJFJU-UHFFFAOYSA-N 1 1 356.828 4.703 50 0 FJAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(-c3ccccc3Cl)c1)C2 ZINC000299783798 529810142 /nfs/dbraw/zinc/81/01/42/529810142.db2.gz VDKVKYOMSAXSFR-QFIPXVFZSA-N 1 1 368.908 4.565 50 0 FJAAMO Cc1cccc(Cn2nc(C[NH2+]Cc3ccccc3)c(-c3ccccc3)n2)c1 ZINC000247935592 222956431 /nfs/dbraw/zinc/95/64/31/222956431.db2.gz SFLOYODOLCJOOS-UHFFFAOYSA-N 1 1 368.484 4.592 50 0 FJAAMO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)CC1CCCCC1 ZINC000048324050 209331280 /nfs/dbraw/zinc/33/12/80/209331280.db2.gz AOEKRLODWQLNAK-UHFFFAOYSA-N 1 1 373.722 4.553 50 0 FJAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012525000 220002715 /nfs/dbraw/zinc/00/27/15/220002715.db2.gz QYXCRDSBBOTHNA-UHFFFAOYSA-N 1 1 371.550 4.507 50 0 FJAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012525000 220002719 /nfs/dbraw/zinc/00/27/19/220002719.db2.gz QYXCRDSBBOTHNA-UHFFFAOYSA-N 1 1 371.550 4.507 50 0 FJAAMO C[N@H+]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 ZINC000012771402 220028548 /nfs/dbraw/zinc/02/85/48/220028548.db2.gz QBHUUWJUOQLXEL-UHFFFAOYSA-N 1 1 374.513 4.653 50 0 FJAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000012810538 220032423 /nfs/dbraw/zinc/03/24/23/220032423.db2.gz RCCSXDKXWUCIDZ-OAQYLSRUSA-N 1 1 363.457 4.701 50 0 FJAAMO CC(=O)Nc1nc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)cs1 ZINC000096955996 209163867 /nfs/dbraw/zinc/16/38/67/209163867.db2.gz GKDBEEWVHOGECZ-LJQANCHMSA-N 1 1 359.539 4.787 50 0 FJAAMO Cc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012926591 220043823 /nfs/dbraw/zinc/04/38/23/220043823.db2.gz IRJISFXEZMCUSL-HXUWFJFHSA-N 1 1 354.450 4.513 50 0 FJAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc2ccccc2o1 ZINC000013005942 220051669 /nfs/dbraw/zinc/05/16/69/220051669.db2.gz BIIVBYDOKHGOCF-UHFFFAOYSA-N 1 1 355.463 4.518 50 0 FJAAMO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000013008124 220052858 /nfs/dbraw/zinc/05/28/58/220052858.db2.gz QTAADCJIUUQCRV-UHFFFAOYSA-N 1 1 356.429 4.507 50 0 FJAAMO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000013008124 220052862 /nfs/dbraw/zinc/05/28/62/220052862.db2.gz QTAADCJIUUQCRV-UHFFFAOYSA-N 1 1 356.429 4.507 50 0 FJAAMO COc1ccccc1C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013720326 220089515 /nfs/dbraw/zinc/08/95/15/220089515.db2.gz QUPDTZBJNRQZEO-UHFFFAOYSA-N 1 1 351.421 4.703 50 0 FJAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000014167138 220112011 /nfs/dbraw/zinc/11/20/11/220112011.db2.gz FNRJKIRVIMEGLD-CQSZACIVSA-N 1 1 355.432 4.677 50 0 FJAAMO Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccc4)CC3)c(C)o2)o1 ZINC000015076805 220147595 /nfs/dbraw/zinc/14/75/95/220147595.db2.gz QIYBRJHTYACSMC-UHFFFAOYSA-N 1 1 366.461 4.733 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)s2)cc1 ZINC000015836886 220168074 /nfs/dbraw/zinc/16/80/74/220168074.db2.gz GSKONSFUGHACOT-HNNXBMFYSA-N 1 1 352.297 4.856 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)s2)cc1 ZINC000015836886 220168078 /nfs/dbraw/zinc/16/80/78/220168078.db2.gz GSKONSFUGHACOT-HNNXBMFYSA-N 1 1 352.297 4.856 50 0 FJAAMO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862296 220170065 /nfs/dbraw/zinc/17/00/65/220170065.db2.gz GNQHHIIZDAXSQG-UHFFFAOYSA-N 1 1 372.871 4.979 50 0 FJAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524025 220215577 /nfs/dbraw/zinc/21/55/77/220215577.db2.gz XDJRQQVWUSXAFQ-KUHUBIRLSA-N 1 1 363.457 4.630 50 0 FJAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524025 220215584 /nfs/dbraw/zinc/21/55/84/220215584.db2.gz XDJRQQVWUSXAFQ-KUHUBIRLSA-N 1 1 363.457 4.630 50 0 FJAAMO CC(C)(C)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000004299481 207010687 /nfs/dbraw/zinc/01/06/87/207010687.db2.gz BFKVJFVQDQAFJE-UHFFFAOYSA-N 1 1 365.521 4.724 50 0 FJAAMO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668279 207035706 /nfs/dbraw/zinc/03/57/06/207035706.db2.gz VOALHWNWJTWPEC-RXVVDRJESA-N 1 1 373.610 4.975 50 0 FJAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000004676254 207036762 /nfs/dbraw/zinc/03/67/62/207036762.db2.gz UZLGOHSCYBOAIB-OAHLLOKOSA-N 1 1 374.887 4.569 50 0 FJAAMO C[N@@H+](CCOC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccccc1 ZINC000005024871 207072642 /nfs/dbraw/zinc/07/26/42/207072642.db2.gz MGNXOFMGVRORBB-UHFFFAOYSA-N 1 1 373.452 4.599 50 0 FJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005254869 207090539 /nfs/dbraw/zinc/09/05/39/207090539.db2.gz WGYUNJBUDLXZGQ-MZYLBHOOSA-N 1 1 369.480 4.703 50 0 FJAAMO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005451299 207101226 /nfs/dbraw/zinc/10/12/26/207101226.db2.gz ZEBKKIOLKCHHJO-GOSISDBHSA-N 1 1 366.461 4.518 50 0 FJAAMO CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1 ZINC000005851540 207118585 /nfs/dbraw/zinc/11/85/85/207118585.db2.gz XVYKFDINDVEHAP-UHFFFAOYSA-N 1 1 354.837 4.929 50 0 FJAAMO Clc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719380 207156202 /nfs/dbraw/zinc/15/62/02/207156202.db2.gz NHSNWJMYKRSPCQ-QGZVFWFLSA-N 1 1 351.277 4.994 50 0 FJAAMO Clc1ccc(OCC[N@H+]2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719380 207156205 /nfs/dbraw/zinc/15/62/05/207156205.db2.gz NHSNWJMYKRSPCQ-QGZVFWFLSA-N 1 1 351.277 4.994 50 0 FJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CC ZINC000006912698 207177722 /nfs/dbraw/zinc/17/77/22/207177722.db2.gz TXFUVYDUOHOUDL-FQEVSTJZSA-N 1 1 369.553 4.662 50 0 FJAAMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000006872839 207174451 /nfs/dbraw/zinc/17/44/51/207174451.db2.gz CRFFVEROTIZWCB-DLBZAZTESA-N 1 1 354.494 4.668 50 0 FJAAMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000006872839 207174456 /nfs/dbraw/zinc/17/44/56/207174456.db2.gz CRFFVEROTIZWCB-DLBZAZTESA-N 1 1 354.494 4.668 50 0 FJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000011820758 207324817 /nfs/dbraw/zinc/32/48/17/207324817.db2.gz BAASLYUZRXOHEG-IBGZPJMESA-N 1 1 364.876 4.983 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012090594 207336700 /nfs/dbraw/zinc/33/67/00/207336700.db2.gz QJGNPEYLTKTDEP-IBGZPJMESA-N 1 1 367.464 4.566 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000012574543 207396275 /nfs/dbraw/zinc/39/62/75/207396275.db2.gz ANXVXYNGYXJQHR-GOSISDBHSA-N 1 1 351.494 4.733 50 0 FJAAMO Brc1ccc2[nH+]ccc(N3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000058243982 532966426 /nfs/dbraw/zinc/96/64/26/532966426.db2.gz MGOJVVIDDBKTJH-IBGZPJMESA-N 1 1 369.262 4.575 50 0 FJAAMO S=c1n(C[N@H+](C2CC2)C2CCCCC2)nc2sc3ccccc3n12 ZINC000032823925 208046924 /nfs/dbraw/zinc/04/69/24/208046924.db2.gz AGFSIDORDGTHBG-UHFFFAOYSA-N 1 1 358.536 4.835 50 0 FJAAMO S=c1n(C[N@@H+](C2CC2)C2CCCCC2)nc2sc3ccccc3n12 ZINC000032823925 208046930 /nfs/dbraw/zinc/04/69/30/208046930.db2.gz AGFSIDORDGTHBG-UHFFFAOYSA-N 1 1 358.536 4.835 50 0 FJAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccccc1F)C1CCCCC1 ZINC000032903620 208055027 /nfs/dbraw/zinc/05/50/27/208055027.db2.gz QPKQXGOVMZYXGZ-UHFFFAOYSA-N 1 1 354.469 4.771 50 0 FJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1 ZINC000036101542 208146750 /nfs/dbraw/zinc/14/67/50/208146750.db2.gz XQSZKPBIWCDYCT-OAQYLSRUSA-N 1 1 369.505 4.801 50 0 FJAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000040107913 208229490 /nfs/dbraw/zinc/22/94/90/208229490.db2.gz TYTYBJKISNHCPL-SFHVURJKSA-N 1 1 364.489 4.520 50 0 FJAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995839 208297572 /nfs/dbraw/zinc/29/75/72/208297572.db2.gz LTIIYDXCTSIEAB-GOSISDBHSA-N 1 1 365.452 4.604 50 0 FJAAMO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@@H+]([C@H]3CCSC3)CC4)cc2)cc1 ZINC000019782049 220296247 /nfs/dbraw/zinc/29/62/47/220296247.db2.gz UPFVSNIYMCQBOE-IBGZPJMESA-N 1 1 361.514 4.607 50 0 FJAAMO CCOc1cc2c(cc1OCC)[C@@H](/C(Cl)=C/c1ccccc1)[NH2+]CC2 ZINC000020506560 220331745 /nfs/dbraw/zinc/33/17/45/220331745.db2.gz JRYBQSWEJBFFMD-CNEDASOKSA-N 1 1 357.881 4.951 50 0 FJAAMO Fc1cc(F)cc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864915 220343040 /nfs/dbraw/zinc/34/30/40/220343040.db2.gz MKYCJQXVPZANGJ-LJQANCHMSA-N 1 1 356.441 4.888 50 0 FJAAMO Fc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000020905902 220344556 /nfs/dbraw/zinc/34/45/56/220344556.db2.gz FDTBVJTVULTNGJ-CQSZACIVSA-N 1 1 357.816 4.519 50 0 FJAAMO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000020905902 220344559 /nfs/dbraw/zinc/34/45/59/220344559.db2.gz FDTBVJTVULTNGJ-CQSZACIVSA-N 1 1 357.816 4.519 50 0 FJAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(CC)c2ccc(OC)cc12 ZINC000021720731 220364622 /nfs/dbraw/zinc/36/46/22/220364622.db2.gz VSVNNVRNEYPFIP-FQEVSTJZSA-N 1 1 367.493 4.866 50 0 FJAAMO Cc1cc(C)cc(NC(=O)N2CCC(C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718145 220365054 /nfs/dbraw/zinc/36/50/54/220365054.db2.gz AMZDFHSRXLWABB-KDURUIRLSA-N 1 1 357.542 4.525 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720325 220365122 /nfs/dbraw/zinc/36/51/22/220365122.db2.gz TUEQPMSEVDXHLM-SFHVURJKSA-N 1 1 358.482 4.672 50 0 FJAAMO CCC(CC)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000022349548 220383516 /nfs/dbraw/zinc/38/35/16/220383516.db2.gz ZFBZCSHRDNFBJC-QHCPKHFHSA-N 1 1 364.533 4.665 50 0 FJAAMO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951870 209089727 /nfs/dbraw/zinc/08/97/27/209089727.db2.gz ARARJJISSMNJMD-DZGCQCFKSA-N 1 1 362.709 4.798 50 0 FJAAMO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951870 209089725 /nfs/dbraw/zinc/08/97/25/209089725.db2.gz ARARJJISSMNJMD-DZGCQCFKSA-N 1 1 362.709 4.798 50 0 FJAAMO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049609444 221025907 /nfs/dbraw/zinc/02/59/07/221025907.db2.gz UGTKYEHOIILAOZ-ZDUSSCGKSA-N 1 1 363.848 4.581 50 0 FJAAMO C(=C\c1ccccc1)\C[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000054959681 221056398 /nfs/dbraw/zinc/05/63/98/221056398.db2.gz DYCSXVJWWWGHHQ-YFHOEESVSA-N 1 1 361.514 4.646 50 0 FJAAMO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000057315202 221085753 /nfs/dbraw/zinc/08/57/53/221085753.db2.gz ZZAKGIGXAKDMEJ-GFCCVEGCSA-N 1 1 367.276 4.681 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]Cc2cccs2)c2ccccc2)c1 ZINC000058163292 221102123 /nfs/dbraw/zinc/10/21/23/221102123.db2.gz PCBCLJBAHRHPRS-FQEVSTJZSA-N 1 1 350.487 4.835 50 0 FJAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000058224703 221109473 /nfs/dbraw/zinc/10/94/73/221109473.db2.gz OCXJHBAJABMMOV-UHFFFAOYSA-N 1 1 355.388 4.585 50 0 FJAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CC)c2ccccc2C)cc1 ZINC000058029508 221097721 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CC(C)c1nnc(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)o1 ZINC000085470719 519884851 /nfs/dbraw/zinc/88/48/51/519884851.db2.gz VJWBSMYZDDOWCO-UHFFFAOYSA-N 1 1 368.506 4.696 50 0 FJAAMO CC[NH+]1CCN(CCCCOc2ccc(C(C)(C)CC)cc2Cl)CC1 ZINC000020406437 521679529 /nfs/dbraw/zinc/67/95/29/521679529.db2.gz YIANWWDJDOAPIT-UHFFFAOYSA-N 1 1 366.977 4.824 50 0 FJAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C ZINC000239339019 522195278 /nfs/dbraw/zinc/19/52/78/522195278.db2.gz LPDWVKCSVCIFOF-FYYLOGMGSA-N 1 1 356.554 4.541 50 0 FJAAMO COc1cc(C)c(C[N@@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C ZINC000239339019 522195282 /nfs/dbraw/zinc/19/52/82/522195282.db2.gz LPDWVKCSVCIFOF-FYYLOGMGSA-N 1 1 356.554 4.541 50 0 FJAAMO COc1cc(C)c(C[N@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C ZINC000239339019 522195288 /nfs/dbraw/zinc/19/52/88/522195288.db2.gz LPDWVKCSVCIFOF-FYYLOGMGSA-N 1 1 356.554 4.541 50 0 FJAAMO COc1ccc(C(C)=O)cc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089292005 523792341 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FJAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc1 ZINC000091586621 527633656 /nfs/dbraw/zinc/63/36/56/527633656.db2.gz LPKMORHDWCEOOK-JOCHJYFZSA-N 1 1 365.517 4.565 50 0 FJAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216076863 568104289 /nfs/dbraw/zinc/10/42/89/568104289.db2.gz IHNDGWAXWUSDLN-CVEARBPZSA-N 1 1 357.448 4.891 50 0 FJAAMO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000022776751 568308751 /nfs/dbraw/zinc/30/87/51/568308751.db2.gz YYKZRXCFMMDTDK-NSHDSACASA-N 1 1 370.276 4.870 50 0 FJAAMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000022776741 568308755 /nfs/dbraw/zinc/30/87/55/568308755.db2.gz AXJOWSISVBDEQB-NSHDSACASA-N 1 1 370.276 4.870 50 0 FJAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cccs1)N1CCCCC1 ZINC000247809019 570492173 /nfs/dbraw/zinc/49/21/73/570492173.db2.gz DBSOKDODALVEDE-ICSRJNTNSA-N 1 1 354.519 4.639 50 0 FJAAMO CC(C)(C)[C@@]1(O)CC[N@H+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 ZINC000001481744 570501301 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HDPDAAGGPRDOPH-UHFFFAOYSA-N 1 1 363.332 4.790 50 0 FJAAMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](c4ccccc4)C3)n2)cc1F ZINC000084185408 571078249 /nfs/dbraw/zinc/07/82/49/571078249.db2.gz YZVTXPZIXDSYOV-LJQANCHMSA-N 1 1 365.452 4.606 50 0 FJAAMO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009047967 571093884 /nfs/dbraw/zinc/09/38/84/571093884.db2.gz RMFAZFTWAHQVGA-MRXNPFEDSA-N 1 1 372.852 4.555 50 0 FJAAMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)sc2cccc(F)c12 ZINC000009217463 571101234 /nfs/dbraw/zinc/10/12/34/571101234.db2.gz GZEJITDTCFMBIS-OAHLLOKOSA-N 1 1 372.465 4.509 50 0 FJAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009453973 571109607 /nfs/dbraw/zinc/10/96/07/571109607.db2.gz FRCPCHFLVBFJKV-CYBMUJFWSA-N 1 1 373.403 4.607 50 0 FJAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009453973 571109610 /nfs/dbraw/zinc/10/96/10/571109610.db2.gz FRCPCHFLVBFJKV-CYBMUJFWSA-N 1 1 373.403 4.607 50 0 FJAAMO Cc1ccc(C2=CC[N@H+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000009479043 571110776 /nfs/dbraw/zinc/11/07/76/571110776.db2.gz USTTWKWLFHGBRU-HNNXBMFYSA-N 1 1 351.475 4.957 50 0 FJAAMO Cc1ccc(C2=CC[N@@H+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000009479043 571110777 /nfs/dbraw/zinc/11/07/77/571110777.db2.gz USTTWKWLFHGBRU-HNNXBMFYSA-N 1 1 351.475 4.957 50 0 FJAAMO Clc1ccc(C[N@H+](Cn2nccc2-c2cccnc2)C2CC2)cc1Cl ZINC000060355695 571114613 /nfs/dbraw/zinc/11/46/13/571114613.db2.gz UCGGDKKTUANMIT-UHFFFAOYSA-N 1 1 373.287 4.874 50 0 FJAAMO Clc1ccc(C[N@@H+](Cn2nccc2-c2cccnc2)C2CC2)cc1Cl ZINC000060355695 571114615 /nfs/dbraw/zinc/11/46/15/571114615.db2.gz UCGGDKKTUANMIT-UHFFFAOYSA-N 1 1 373.287 4.874 50 0 FJAAMO COc1cccc(C[N@@H+](Cc2cc(=O)c(OC)c[nH]2)C2CCCCCC2)c1 ZINC000244716113 571114980 /nfs/dbraw/zinc/11/49/80/571114980.db2.gz LIRJSVNFIVOJFP-UHFFFAOYSA-N 1 1 370.493 4.529 50 0 FJAAMO CCOc1cc(C[NH2+]Cc2ccc(Cl)nc2)c(Cl)cc1OC(C)C ZINC000055245097 571118225 /nfs/dbraw/zinc/11/82/25/571118225.db2.gz ADDBFEGBBOFCAB-UHFFFAOYSA-N 1 1 369.292 4.864 50 0 FJAAMO CC[N@@H+](Cc1ccncc1)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000009849533 571120147 /nfs/dbraw/zinc/12/01/47/571120147.db2.gz GRKOBHUYGYKMLJ-UHFFFAOYSA-N 1 1 362.473 4.691 50 0 FJAAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1Cl ZINC000010139663 571123003 /nfs/dbraw/zinc/12/30/03/571123003.db2.gz FVWOFYKPQXICQX-UHFFFAOYSA-N 1 1 367.880 4.639 50 0 FJAAMO CCc1ccc(-c2noc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)n2)cc1 ZINC000012859973 571129694 /nfs/dbraw/zinc/12/96/94/571129694.db2.gz BPWYJLUKTYEVNN-HXUWFJFHSA-N 1 1 353.441 4.925 50 0 FJAAMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000058291411 571130690 /nfs/dbraw/zinc/13/06/90/571130690.db2.gz VYOLLMZCWZOMPP-HNNXBMFYSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000058291411 571130691 /nfs/dbraw/zinc/13/06/91/571130691.db2.gz VYOLLMZCWZOMPP-HNNXBMFYSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058290661 571130705 /nfs/dbraw/zinc/13/07/05/571130705.db2.gz PLUGFASOYPNRBM-HNNXBMFYSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1cccc(OCC[N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058290661 571130706 /nfs/dbraw/zinc/13/07/06/571130706.db2.gz PLUGFASOYPNRBM-HNNXBMFYSA-N 1 1 371.868 4.770 50 0 FJAAMO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(OC(F)(F)F)cc1 ZINC000058626126 571133337 /nfs/dbraw/zinc/13/33/37/571133337.db2.gz DIJXQJDCNINMDP-UHFFFAOYSA-N 1 1 352.381 4.827 50 0 FJAAMO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(OC(F)(F)F)cc1 ZINC000058626126 571133341 /nfs/dbraw/zinc/13/33/41/571133341.db2.gz DIJXQJDCNINMDP-UHFFFAOYSA-N 1 1 352.381 4.827 50 0 FJAAMO Cc1cc(C)c2c(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccc3)[nH]c2c1 ZINC000015862322 571138837 /nfs/dbraw/zinc/13/88/37/571138837.db2.gz WRFHAFCVTKGXPH-UHFFFAOYSA-N 1 1 372.468 4.940 50 0 FJAAMO Cc1cc(C)c2c(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)[nH]c2c1 ZINC000015862322 571138838 /nfs/dbraw/zinc/13/88/38/571138838.db2.gz WRFHAFCVTKGXPH-UHFFFAOYSA-N 1 1 372.468 4.940 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000065419730 571143575 /nfs/dbraw/zinc/14/35/75/571143575.db2.gz IAPNAFNFFUNLLR-HSZRJFAPSA-N 1 1 373.500 4.535 50 0 FJAAMO c1sc2ccccc2c1-c1cc([C@@H]2CC[N@H+](Cc3cncnc3)C2)ccn1 ZINC000065533538 571144973 /nfs/dbraw/zinc/14/49/73/571144973.db2.gz WEYJNLLIISASLB-GOSISDBHSA-N 1 1 372.497 4.743 50 0 FJAAMO c1ccc(-c2ccc(-c3noc4c3C[N@H+](Cc3cccnc3)CC4)cc2)cc1 ZINC000067676297 571148205 /nfs/dbraw/zinc/14/82/05/571148205.db2.gz LBTLLHPGLSAICQ-UHFFFAOYSA-N 1 1 367.452 4.962 50 0 FJAAMO c1ccc(-c2ccc(-c3noc4c3C[N@@H+](Cc3cccnc3)CC4)cc2)cc1 ZINC000067676297 571148206 /nfs/dbraw/zinc/14/82/06/571148206.db2.gz LBTLLHPGLSAICQ-UHFFFAOYSA-N 1 1 367.452 4.962 50 0 FJAAMO Cc1ccccc1C[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941955 571153222 /nfs/dbraw/zinc/15/32/22/571153222.db2.gz FCPQNTCBVWPSTI-QHCPKHFHSA-N 1 1 361.485 4.534 50 0 FJAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C)nc(-c3ccccn3)n2)cc1 ZINC000075106782 571155325 /nfs/dbraw/zinc/15/53/25/571155325.db2.gz MZTKDUFXNIZVCJ-MRXNPFEDSA-N 1 1 370.460 4.514 50 0 FJAAMO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2CCCC ZINC000075330287 571161142 /nfs/dbraw/zinc/16/11/42/571161142.db2.gz RQGVNUVULBTFQH-UHFFFAOYSA-N 1 1 356.514 4.561 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071749371 571164582 /nfs/dbraw/zinc/16/45/82/571164582.db2.gz LGQORFXWGJDKFR-MRXNPFEDSA-N 1 1 351.416 4.582 50 0 FJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000006256297 571168450 /nfs/dbraw/zinc/16/84/50/571168450.db2.gz CVXBKKMAHLCGKW-INIZCTEOSA-N 1 1 361.898 4.597 50 0 FJAAMO COc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1Cl ZINC000075465771 571186326 /nfs/dbraw/zinc/18/63/26/571186326.db2.gz HCGVKOLSAHLMHU-UHFFFAOYSA-N 1 1 371.868 4.920 50 0 FJAAMO CCOc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000012603349 571190476 /nfs/dbraw/zinc/19/04/76/571190476.db2.gz AGBZEPCPOVLGRM-KRWDZBQOSA-N 1 1 367.493 4.515 50 0 FJAAMO CSc1ccc2cc(C[N@@H+](C)CCO)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418047 571192615 /nfs/dbraw/zinc/19/26/15/571192615.db2.gz FGKXSXKDRQJGFR-UHFFFAOYSA-N 1 1 372.921 4.701 50 0 FJAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000022343823 571201824 /nfs/dbraw/zinc/20/18/24/571201824.db2.gz QPUBICHLZCRTNT-CQSZACIVSA-N 1 1 363.288 4.512 50 0 FJAAMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000006489804 571202490 /nfs/dbraw/zinc/20/24/90/571202490.db2.gz CRFFVEROTIZWCB-IAGOWNOFSA-N 1 1 354.494 4.668 50 0 FJAAMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000006489804 571202493 /nfs/dbraw/zinc/20/24/93/571202493.db2.gz CRFFVEROTIZWCB-IAGOWNOFSA-N 1 1 354.494 4.668 50 0 FJAAMO COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000075448655 571203285 /nfs/dbraw/zinc/20/32/85/571203285.db2.gz SCTVSFLZPJVFMB-IBGZPJMESA-N 1 1 366.465 4.534 50 0 FJAAMO c1ccc(CN2C[N@H+](Cc3ccccc3)CP(c3ccccc3)C2)cc1 ZINC000019321093 571207751 /nfs/dbraw/zinc/20/77/51/571207751.db2.gz IBEQWAVMMWLFEI-UHFFFAOYSA-N 1 1 360.441 4.684 50 0 FJAAMO c1ccc(CN2C[N@@H+](Cc3ccccc3)CP(c3ccccc3)C2)cc1 ZINC000019321093 571207752 /nfs/dbraw/zinc/20/77/52/571207752.db2.gz IBEQWAVMMWLFEI-UHFFFAOYSA-N 1 1 360.441 4.684 50 0 FJAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1oc2cc(C)ccc2c1C ZINC000082134998 571229163 /nfs/dbraw/zinc/22/91/63/571229163.db2.gz RTGVGDZYRBWQMS-SFHVURJKSA-N 1 1 365.477 4.640 50 0 FJAAMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCc2ccccc2)cc1OC ZINC000004754089 571231641 /nfs/dbraw/zinc/23/16/41/571231641.db2.gz LUEVZHDYHUHLOD-UHFFFAOYSA-N 1 1 373.456 4.939 50 0 FJAAMO c1cncc([C@@H]2CCCC[N@@H+]2CCCCOc2ccc3c(c2)CCC3)c1 ZINC000006624602 571237571 /nfs/dbraw/zinc/23/75/71/571237571.db2.gz NCVHXFHVRZRTLC-QHCPKHFHSA-N 1 1 350.506 4.957 50 0 FJAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031574 571239130 /nfs/dbraw/zinc/23/91/30/571239130.db2.gz CDXGWJZUHUICOM-SFHVURJKSA-N 1 1 365.901 4.529 50 0 FJAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031876 571239152 /nfs/dbraw/zinc/23/91/52/571239152.db2.gz LDKQUUBGJFVHLK-HXUWFJFHSA-N 1 1 361.913 4.609 50 0 FJAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@H](O)COc1ccccc1C ZINC000036100057 571241690 /nfs/dbraw/zinc/24/16/90/571241690.db2.gz XFMFVCLJYMOLSL-QFIPXVFZSA-N 1 1 355.522 4.591 50 0 FJAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccc(C)cc1 ZINC000006922845 571254638 /nfs/dbraw/zinc/25/46/38/571254638.db2.gz MRYHAXJYGJIWLN-NHTMILBNSA-N 1 1 365.517 4.872 50 0 FJAAMO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C(C)C ZINC000065322258 571261640 /nfs/dbraw/zinc/26/16/40/571261640.db2.gz CXTZDOLMQCELSV-UHFFFAOYSA-N 1 1 356.514 4.732 50 0 FJAAMO Cc1cc(C)c(NC(=S)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000036847485 571263349 /nfs/dbraw/zinc/26/33/49/571263349.db2.gz CLQOWQIQBDGAFV-LSDHHAIUSA-N 1 1 353.963 4.506 50 0 FJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)cc2s1 ZINC000170613388 571268038 /nfs/dbraw/zinc/26/80/38/571268038.db2.gz NNJADAKPFVSVOC-ZBFHGGJFSA-N 1 1 362.926 4.549 50 0 FJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2cccc(Cl)c2s1 ZINC000170613347 571268057 /nfs/dbraw/zinc/26/80/57/571268057.db2.gz ZBHRYYRXRLYTQJ-ZBFHGGJFSA-N 1 1 362.926 4.549 50 0 FJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620746 571284463 /nfs/dbraw/zinc/28/44/63/571284463.db2.gz WJTWKVCMFCXHSC-LJQANCHMSA-N 1 1 369.534 4.514 50 0 FJAAMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 ZINC000101359136 571309259 /nfs/dbraw/zinc/30/92/59/571309259.db2.gz LAUAHIVTDOZZLW-XZOQPEGZSA-N 1 1 363.501 4.778 50 0 FJAAMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418894 571312769 /nfs/dbraw/zinc/31/27/69/571312769.db2.gz DCAXHAMYUUUKBK-YZGWKJHDSA-N 1 1 374.525 4.855 50 0 FJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cccc(Cl)c2s1 ZINC000079193337 571327178 /nfs/dbraw/zinc/32/71/78/571327178.db2.gz ZBHRYYRXRLYTQJ-GOEBONIOSA-N 1 1 362.926 4.549 50 0 FJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-c2ccccc2Cl)o1 ZINC000079190035 571327224 /nfs/dbraw/zinc/32/72/24/571327224.db2.gz KAWYFYHCNBEYIZ-MAUKXSAKSA-N 1 1 372.896 4.594 50 0 FJAAMO O[C@@H](C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000095353005 571328951 /nfs/dbraw/zinc/32/89/51/571328951.db2.gz OMXZPAKUEDUQIB-FPOVZHCZSA-N 1 1 371.452 4.707 50 0 FJAAMO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000020733526 571331677 /nfs/dbraw/zinc/33/16/77/571331677.db2.gz PQESEMZKLHXENR-NQIIRXRSSA-N 1 1 373.610 4.975 50 0 FJAAMO Cc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1C ZINC000021639817 571335292 /nfs/dbraw/zinc/33/52/92/571335292.db2.gz LKUHLHVRNWLSCG-UHFFFAOYSA-N 1 1 362.452 4.534 50 0 FJAAMO Cc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1C ZINC000021639817 571335293 /nfs/dbraw/zinc/33/52/93/571335293.db2.gz LKUHLHVRNWLSCG-UHFFFAOYSA-N 1 1 362.452 4.534 50 0 FJAAMO Cc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC000002912898 571341592 /nfs/dbraw/zinc/34/15/92/571341592.db2.gz LJSPIHRNYOXTAY-UHFFFAOYSA-N 1 1 367.990 4.788 50 0 FJAAMO CCc1ccc(C[N@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000057364837 571342854 /nfs/dbraw/zinc/34/28/54/571342854.db2.gz FWNSSTOKPHTTHU-ZDUSSCGKSA-N 1 1 354.523 4.646 50 0 FJAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000057364837 571342855 /nfs/dbraw/zinc/34/28/55/571342855.db2.gz FWNSSTOKPHTTHU-ZDUSSCGKSA-N 1 1 354.523 4.646 50 0 FJAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000003008246 571343407 /nfs/dbraw/zinc/34/34/07/571343407.db2.gz RFLGRAFYCIAYHW-UHFFFAOYSA-N 1 1 357.498 4.840 50 0 FJAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=S)Nc2ccccc2F)o1 ZINC000003027320 571343670 /nfs/dbraw/zinc/34/36/70/571343670.db2.gz OJXKPMZJUYOCAH-UHFFFAOYSA-N 1 1 363.502 4.527 50 0 FJAAMO Cc1ccccc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000003058572 571344371 /nfs/dbraw/zinc/34/43/71/571344371.db2.gz TWLQFTCLKAJKAP-FXAWDEMLSA-N 1 1 359.583 4.667 50 0 FJAAMO Cc1ccc(N2[C@@H]3CCCCC[N@H+]3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003196802 571345400 /nfs/dbraw/zinc/34/54/00/571345400.db2.gz QKBJYJLZSLIWFC-RTWAWAEBSA-N 1 1 356.897 4.516 50 0 FJAAMO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)C1 ZINC000058012657 571346922 /nfs/dbraw/zinc/34/69/22/571346922.db2.gz WJPVEDUBKYXBGE-QINHECLXSA-N 1 1 362.945 4.808 50 0 FJAAMO CCc1ccccc1NC(=S)N1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000058096645 571348075 /nfs/dbraw/zinc/34/80/75/571348075.db2.gz OMWNWDUVRBAQAQ-UHFFFAOYSA-N 1 1 367.562 4.728 50 0 FJAAMO CCc1ccccc1NC(=S)N1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000058096645 571348076 /nfs/dbraw/zinc/34/80/76/571348076.db2.gz OMWNWDUVRBAQAQ-UHFFFAOYSA-N 1 1 367.562 4.728 50 0 FJAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1Cl ZINC000003377654 571348668 /nfs/dbraw/zinc/34/86/68/571348668.db2.gz APTUYJDWICPBMR-LJQANCHMSA-N 1 1 358.869 4.514 50 0 FJAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)cc1 ZINC000003665463 571352092 /nfs/dbraw/zinc/35/20/92/571352092.db2.gz BNGQAZZECDOHOV-UHFFFAOYSA-N 1 1 373.566 4.909 50 0 FJAAMO Fc1ccc([C@H]2CC[N@H+](Cc3cc(CN4CCCCC4)cs3)C2)cc1 ZINC000670454138 571353405 /nfs/dbraw/zinc/35/34/05/571353405.db2.gz SQULYKVRMGSYOS-IBGZPJMESA-N 1 1 358.526 4.863 50 0 FJAAMO Fc1ccc([C@H]2CC[N@@H+](Cc3cc(CN4CCCCC4)cs3)C2)cc1 ZINC000670454138 571353406 /nfs/dbraw/zinc/35/34/06/571353406.db2.gz SQULYKVRMGSYOS-IBGZPJMESA-N 1 1 358.526 4.863 50 0 FJAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126660 571359158 /nfs/dbraw/zinc/35/91/58/571359158.db2.gz ONTRIUKBHNWJAM-SFHVURJKSA-N 1 1 363.288 4.941 50 0 FJAAMO COc1ccc(OC)c(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000004753581 219604427 /nfs/dbraw/zinc/60/44/27/219604427.db2.gz FBPYXFVUBWAVEI-UHFFFAOYSA-N 1 1 373.456 4.939 50 0 FJAAMO CCOc1c(Cl)cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1Cl ZINC000113398065 209336244 /nfs/dbraw/zinc/33/62/44/209336244.db2.gz KZOAENCDNFUUTI-UHFFFAOYSA-N 1 1 350.249 4.558 50 0 FJAAMO COCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(C)C ZINC000012576685 220009989 /nfs/dbraw/zinc/00/99/89/220009989.db2.gz WNZVPJVQVLLPIF-UHFFFAOYSA-N 1 1 356.388 4.526 50 0 FJAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@H]2c2c(C)noc2C)n1 ZINC000097347510 209178773 /nfs/dbraw/zinc/17/87/73/209178773.db2.gz VNFQJXHVGXDRAZ-FQEVSTJZSA-N 1 1 368.456 4.570 50 0 FJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000012718520 220021201 /nfs/dbraw/zinc/02/12/01/220021201.db2.gz PCMYQCCHWVPMMG-IBGZPJMESA-N 1 1 364.876 4.983 50 0 FJAAMO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](CCCC(F)(F)F)C1 ZINC000012710203 220019870 /nfs/dbraw/zinc/01/98/70/220019870.db2.gz AJQHTQDDBYSHEQ-LJQANCHMSA-N 1 1 371.443 4.607 50 0 FJAAMO S=c1sc(NCc2ccccc2)nn1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000012883731 220039147 /nfs/dbraw/zinc/03/91/47/220039147.db2.gz AIBGTLFHWPJRNK-IRXDYDNUSA-N 1 1 374.579 4.898 50 0 FJAAMO S=c1sc(NCc2ccccc2)nn1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000012883731 220039151 /nfs/dbraw/zinc/03/91/51/220039151.db2.gz AIBGTLFHWPJRNK-IRXDYDNUSA-N 1 1 374.579 4.898 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000012975634 220047174 /nfs/dbraw/zinc/04/71/74/220047174.db2.gz CXEJMNQWHBRMCE-OAQYLSRUSA-N 1 1 370.468 4.699 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000012975634 220047177 /nfs/dbraw/zinc/04/71/77/220047177.db2.gz CXEJMNQWHBRMCE-OAQYLSRUSA-N 1 1 370.468 4.699 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000012975632 220047658 /nfs/dbraw/zinc/04/76/58/220047658.db2.gz CXEJMNQWHBRMCE-NRFANRHFSA-N 1 1 370.468 4.699 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C)cc2F)cc1 ZINC000012975632 220047661 /nfs/dbraw/zinc/04/76/61/220047661.db2.gz CXEJMNQWHBRMCE-NRFANRHFSA-N 1 1 370.468 4.699 50 0 FJAAMO C[C@@H]1C[N@H+](CCCCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000013153555 220060668 /nfs/dbraw/zinc/06/06/68/220060668.db2.gz SGTHCPWGCBTTQS-KDURUIRLSA-N 1 1 355.478 4.747 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000014021413 220103377 /nfs/dbraw/zinc/10/33/77/220103377.db2.gz QVWMTYAPZGTMJR-GOSISDBHSA-N 1 1 369.490 4.924 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000014021413 220103379 /nfs/dbraw/zinc/10/33/79/220103379.db2.gz QVWMTYAPZGTMJR-GOSISDBHSA-N 1 1 369.490 4.924 50 0 FJAAMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000014201385 220117477 /nfs/dbraw/zinc/11/74/77/220117477.db2.gz LFLNELPFZXJASF-SFHVURJKSA-N 1 1 350.506 4.667 50 0 FJAAMO Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)oc1C ZINC000014965387 220137742 /nfs/dbraw/zinc/13/77/42/220137742.db2.gz MXBDKHAMTZSWSQ-KRWDZBQOSA-N 1 1 358.457 4.666 50 0 FJAAMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524026 220214723 /nfs/dbraw/zinc/21/47/23/220214723.db2.gz XDJRQQVWUSXAFQ-LIRRHRJNSA-N 1 1 363.457 4.630 50 0 FJAAMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524026 220214728 /nfs/dbraw/zinc/21/47/28/220214728.db2.gz XDJRQQVWUSXAFQ-LIRRHRJNSA-N 1 1 363.457 4.630 50 0 FJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553967 207027859 /nfs/dbraw/zinc/02/78/59/207027859.db2.gz TWCWGJZBRRFOSJ-INIZCTEOSA-N 1 1 361.898 4.597 50 0 FJAAMO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668283 207035310 /nfs/dbraw/zinc/03/53/10/207035310.db2.gz PQESEMZKLHXENR-GHTZIAJQSA-N 1 1 373.610 4.975 50 0 FJAAMO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000005525677 207104128 /nfs/dbraw/zinc/10/41/28/207104128.db2.gz AHZUCLYTAPMAGO-DLBZAZTESA-N 1 1 367.798 4.887 50 0 FJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CC ZINC000006912688 207177522 /nfs/dbraw/zinc/17/75/22/207177522.db2.gz TXFUVYDUOHOUDL-HXUWFJFHSA-N 1 1 369.553 4.662 50 0 FJAAMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1cccs1 ZINC000007274957 207191844 /nfs/dbraw/zinc/19/18/44/207191844.db2.gz YGONJAXQOAVOQG-UHFFFAOYSA-N 1 1 374.893 4.674 50 0 FJAAMO Cc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCCC2)cc1C ZINC000007425365 207194666 /nfs/dbraw/zinc/19/46/66/207194666.db2.gz LPDOAWPSMGQBNY-UHFFFAOYSA-N 1 1 363.505 4.718 50 0 FJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000011814224 207321934 /nfs/dbraw/zinc/32/19/34/207321934.db2.gz PFUZYBKDIXMVPN-SFHVURJKSA-N 1 1 368.502 4.893 50 0 FJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000011814224 207321937 /nfs/dbraw/zinc/32/19/37/207321937.db2.gz PFUZYBKDIXMVPN-SFHVURJKSA-N 1 1 368.502 4.893 50 0 FJAAMO COc1ccc(-c2nc(C[N@@H+](C)C(C3CC3)C3CC3)c(C)o2)c(C)c1C ZINC000011818292 207323976 /nfs/dbraw/zinc/32/39/76/207323976.db2.gz AZKSLJDIGZKFMH-UHFFFAOYSA-N 1 1 354.494 4.896 50 0 FJAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 ZINC000011951812 207332330 /nfs/dbraw/zinc/33/23/30/207332330.db2.gz IPJOAMGCVZRPJZ-AWEZNQCLSA-N 1 1 354.425 4.991 50 0 FJAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 ZINC000011951812 207332333 /nfs/dbraw/zinc/33/23/33/207332333.db2.gz IPJOAMGCVZRPJZ-AWEZNQCLSA-N 1 1 354.425 4.991 50 0 FJAAMO CCc1[nH]c(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)c(C)[nH+]1 ZINC000012151514 207343836 /nfs/dbraw/zinc/34/38/36/207343836.db2.gz VPBVVVJUWLKPGK-OAQYLSRUSA-N 1 1 365.452 4.556 50 0 FJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000012151554 207343423 /nfs/dbraw/zinc/34/34/23/207343423.db2.gz QLCWYYZANVGWCT-MRXNPFEDSA-N 1 1 353.441 4.751 50 0 FJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000012459440 207381094 /nfs/dbraw/zinc/38/10/94/207381094.db2.gz GJABBEZHXXGTLD-GOSISDBHSA-N 1 1 364.489 4.565 50 0 FJAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012580664 207397450 /nfs/dbraw/zinc/39/74/50/207397450.db2.gz DVUHVMAAXIQTMB-POTYOEOXSA-N 1 1 373.899 4.810 50 0 FJAAMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000032777537 208040737 /nfs/dbraw/zinc/04/07/37/208040737.db2.gz UFLMOEIBHFSAMA-GFCCVEGCSA-N 1 1 368.811 4.573 50 0 FJAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000032777537 208040741 /nfs/dbraw/zinc/04/07/41/208040741.db2.gz UFLMOEIBHFSAMA-GFCCVEGCSA-N 1 1 368.811 4.573 50 0 FJAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018683 208066632 /nfs/dbraw/zinc/06/66/32/208066632.db2.gz SHQKPQDCXALSOT-UHFFFAOYSA-N 1 1 365.473 4.912 50 0 FJAAMO CCC[C@H]1C[N@@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000034578337 208106256 /nfs/dbraw/zinc/10/62/56/208106256.db2.gz AIBGFONRBUKNGN-QHCPKHFHSA-N 1 1 353.506 4.699 50 0 FJAAMO Cc1noc(C)c1C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000036396143 208163283 /nfs/dbraw/zinc/16/32/83/208163283.db2.gz PVTRCFYOCJHXPZ-UHFFFAOYSA-N 1 1 354.494 4.585 50 0 FJAAMO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1 ZINC000036348232 208153819 /nfs/dbraw/zinc/15/38/19/208153819.db2.gz OAQNDRHRLKNQRO-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1 ZINC000036348232 208153825 /nfs/dbraw/zinc/15/38/25/208153825.db2.gz OAQNDRHRLKNQRO-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000036347566 208154801 /nfs/dbraw/zinc/15/48/01/208154801.db2.gz IBGVGRJUTQRTOY-QHCPKHFHSA-N 1 1 362.473 4.501 50 0 FJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348331 208155343 /nfs/dbraw/zinc/15/53/43/208155343.db2.gz ZVLGLKHLRNLKPI-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)c1 ZINC000036348331 208155347 /nfs/dbraw/zinc/15/53/47/208155347.db2.gz ZVLGLKHLRNLKPI-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019762350 220295001 /nfs/dbraw/zinc/29/50/01/220295001.db2.gz ROJFBIIHZXHUMJ-UHFFFAOYSA-N 1 1 372.468 4.506 50 0 FJAAMO Fc1ccc(C(CCCN2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000019782294 220297086 /nfs/dbraw/zinc/29/70/86/220297086.db2.gz IMSNWRMLXLBTEF-JOCHJYFZSA-N 1 1 370.487 4.657 50 0 FJAAMO COc1cccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058035147 208516623 /nfs/dbraw/zinc/51/66/23/208516623.db2.gz XIQPEKZODANUFS-ZDUSSCGKSA-N 1 1 357.841 4.592 50 0 FJAAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058035147 208516625 /nfs/dbraw/zinc/51/66/25/208516625.db2.gz XIQPEKZODANUFS-ZDUSSCGKSA-N 1 1 357.841 4.592 50 0 FJAAMO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCCC2)o1 ZINC000021659779 220362218 /nfs/dbraw/zinc/36/22/18/220362218.db2.gz CQUPJRJUMNJPBD-GOSISDBHSA-N 1 1 366.461 4.518 50 0 FJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720807 220364656 /nfs/dbraw/zinc/36/46/56/220364656.db2.gz RUOLEZRLDKVBDI-IBGZPJMESA-N 1 1 364.493 4.889 50 0 FJAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021719995 220364857 /nfs/dbraw/zinc/36/48/57/220364857.db2.gz OHMJDQCCEOFRNP-LJQANCHMSA-N 1 1 350.466 4.581 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720055 220364969 /nfs/dbraw/zinc/36/49/69/220364969.db2.gz JZZCCURHYHFQRD-LJQANCHMSA-N 1 1 350.466 4.834 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720055 220364972 /nfs/dbraw/zinc/36/49/72/220364972.db2.gz JZZCCURHYHFQRD-LJQANCHMSA-N 1 1 350.466 4.834 50 0 FJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC000021720874 220365212 /nfs/dbraw/zinc/36/52/12/220365212.db2.gz BVVORYJYADBAOL-QGZVFWFLSA-N 1 1 358.482 4.678 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056201 220375691 /nfs/dbraw/zinc/37/56/91/220375691.db2.gz MMMYQONSGGURPS-IBGZPJMESA-N 1 1 352.409 4.826 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056201 220375695 /nfs/dbraw/zinc/37/56/95/220375695.db2.gz MMMYQONSGGURPS-IBGZPJMESA-N 1 1 352.409 4.826 50 0 FJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056205 220375711 /nfs/dbraw/zinc/37/57/11/220375711.db2.gz MMMYQONSGGURPS-LJQANCHMSA-N 1 1 352.409 4.826 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056205 220375715 /nfs/dbraw/zinc/37/57/15/220375715.db2.gz MMMYQONSGGURPS-LJQANCHMSA-N 1 1 352.409 4.826 50 0 FJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000022349119 220383650 /nfs/dbraw/zinc/38/36/50/220383650.db2.gz GUSJDTQAXSXAHP-HSZRJFAPSA-N 1 1 364.533 4.665 50 0 FJAAMO Brc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852719 220399937 /nfs/dbraw/zinc/39/99/37/220399937.db2.gz KHPXBRWXMRTKRV-HNNXBMFYSA-N 1 1 370.294 4.705 50 0 FJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cnc2ccccc2n1)C1CCCCC1 ZINC000040040626 220873370 /nfs/dbraw/zinc/87/33/70/220873370.db2.gz RKTPWKMKPCRJEF-UHFFFAOYSA-N 1 1 374.488 4.647 50 0 FJAAMO Cc1ccccc1SC1CCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000095358355 209025738 /nfs/dbraw/zinc/02/57/38/209025738.db2.gz UOEHBEOWVQRCPS-QGZVFWFLSA-N 1 1 371.550 4.659 50 0 FJAAMO CCOc1cc(C[NH2+][C@H](CC)c2ccnn2C)c(Cl)cc1OC(C)C ZINC000055325781 221065652 /nfs/dbraw/zinc/06/56/52/221065652.db2.gz LKTWJTTWNUWBFA-MRXNPFEDSA-N 1 1 365.905 4.500 50 0 FJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000056103145 221077328 /nfs/dbraw/zinc/07/73/28/221077328.db2.gz VQLWHRXNSRKDAS-KGLIPLIRSA-N 1 1 369.362 4.627 50 0 FJAAMO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1Cl ZINC000058407144 221117492 /nfs/dbraw/zinc/11/74/92/221117492.db2.gz XOQSLUFXQRVGQG-CABCVRRESA-N 1 1 370.880 4.956 50 0 FJAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1Cl ZINC000058407144 221117496 /nfs/dbraw/zinc/11/74/96/221117496.db2.gz XOQSLUFXQRVGQG-CABCVRRESA-N 1 1 370.880 4.956 50 0 FJAAMO CC(C)Cn1c[nH+]cc1Cn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065406712 221214670 /nfs/dbraw/zinc/21/46/70/221214670.db2.gz QOPNSHDFSJXIAW-UHFFFAOYSA-N 1 1 357.461 4.513 50 0 FJAAMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453062 221219760 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C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1)c1ccccc1Cl ZINC000106524450 222386569 /nfs/dbraw/zinc/38/65/69/222386569.db2.gz XOQSLUFXQRVGQG-HUUCEWRRSA-N 1 1 370.880 4.956 50 0 FJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011817956 263368093 /nfs/dbraw/zinc/36/80/93/263368093.db2.gz SRDWQUPMKLKIEU-LJQANCHMSA-N 1 1 374.484 4.589 50 0 FJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000011816937 263368352 /nfs/dbraw/zinc/36/83/52/263368352.db2.gz MCLPRWXFNACTQC-INIZCTEOSA-N 1 1 360.498 4.827 50 0 FJAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000011817463 263368389 /nfs/dbraw/zinc/36/83/89/263368389.db2.gz GOMVIPVQOMUEJJ-FQEVSTJZSA-N 1 1 367.537 4.856 50 0 FJAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000011817463 263368392 /nfs/dbraw/zinc/36/83/92/263368392.db2.gz GOMVIPVQOMUEJJ-FQEVSTJZSA-N 1 1 367.537 4.856 50 0 FJAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000011818575 263368452 /nfs/dbraw/zinc/36/84/52/263368452.db2.gz SOIUGOLZUQNOBF-SFHVURJKSA-N 1 1 374.531 4.719 50 0 FJAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000019782355 263376497 /nfs/dbraw/zinc/37/64/97/263376497.db2.gz WBPARCAZQWJJMJ-UHFFFAOYSA-N 1 1 372.472 4.776 50 0 FJAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000019782355 263376500 /nfs/dbraw/zinc/37/65/00/263376500.db2.gz WBPARCAZQWJJMJ-UHFFFAOYSA-N 1 1 372.472 4.776 50 0 FJAAMO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1OC ZINC000020929489 520325495 /nfs/dbraw/zinc/32/54/95/520325495.db2.gz COUBZMOHXIROOY-UHFFFAOYSA-N 1 1 364.283 4.536 50 0 FJAAMO CCC(CC)c1n[nH]c2c1C[N@H+](Cc1c(C)noc1-c1ccccc1)CC2 ZINC000020909869 521635268 /nfs/dbraw/zinc/63/52/68/521635268.db2.gz GEPAUIIXMHHJPU-UHFFFAOYSA-N 1 1 364.493 4.835 50 0 FJAAMO CCC(CC)c1n[nH]c2c1C[N@@H+](Cc1c(C)noc1-c1ccccc1)CC2 ZINC000020909869 521635269 /nfs/dbraw/zinc/63/52/69/521635269.db2.gz GEPAUIIXMHHJPU-UHFFFAOYSA-N 1 1 364.493 4.835 50 0 FJAAMO CCC(CC)c1[nH]nc2c1C[N@H+](Cc1c(C)noc1-c1ccccc1)CC2 ZINC000020909869 521635272 /nfs/dbraw/zinc/63/52/72/521635272.db2.gz GEPAUIIXMHHJPU-UHFFFAOYSA-N 1 1 364.493 4.835 50 0 FJAAMO CCC(CC)c1[nH]nc2c1C[N@@H+](Cc1c(C)noc1-c1ccccc1)CC2 ZINC000020909869 521635274 /nfs/dbraw/zinc/63/52/74/521635274.db2.gz GEPAUIIXMHHJPU-UHFFFAOYSA-N 1 1 364.493 4.835 50 0 FJAAMO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241161311 521755485 /nfs/dbraw/zinc/75/54/85/521755485.db2.gz JZVCCBCXJOFARS-XMSQKQJNSA-N 1 1 365.521 4.623 50 0 FJAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000019789970 524401082 /nfs/dbraw/zinc/40/10/82/524401082.db2.gz IVTLASKJODHGSQ-UHFFFAOYSA-N 1 1 370.496 4.620 50 0 FJAAMO C[C@H]1C[NH+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000020168247 524602380 /nfs/dbraw/zinc/60/23/80/524602380.db2.gz HJWZZUDNWVQXHL-OALUTQOASA-N 1 1 353.506 4.501 50 0 FJAAMO Cc1ccc(-c2noc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000089642554 525877598 /nfs/dbraw/zinc/87/75/98/525877598.db2.gz UYXQLCIBVRACCK-UHFFFAOYSA-N 1 1 370.456 4.816 50 0 FJAAMO Cc1ccc(-c2noc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000089642554 525877605 /nfs/dbraw/zinc/87/76/05/525877605.db2.gz UYXQLCIBVRACCK-UHFFFAOYSA-N 1 1 370.456 4.816 50 0 FJAAMO Fc1ccc([C@H]([NH2+]CCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988492 526364121 /nfs/dbraw/zinc/36/41/21/526364121.db2.gz DCWGIYKBVONBTD-NRFANRHFSA-N 1 1 373.431 4.797 50 0 FJAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551661 526454405 /nfs/dbraw/zinc/45/44/05/526454405.db2.gz GVGKJNZXCGGJJL-VQTJNVASSA-N 1 1 354.519 4.639 50 0 FJAAMO c1ccc(COc2ccc(OCC[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020323603 526474057 /nfs/dbraw/zinc/47/40/57/526474057.db2.gz RXZFUYXPGMSFIK-UHFFFAOYSA-N 1 1 359.469 4.703 50 0 FJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccc(F)cc2s1 ZINC000020936114 526492434 /nfs/dbraw/zinc/49/24/34/526492434.db2.gz LBHOHHGYGYAWCQ-INIZCTEOSA-N 1 1 372.465 4.590 50 0 FJAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551660 526523381 /nfs/dbraw/zinc/52/33/81/526523381.db2.gz GVGKJNZXCGGJJL-PMACEKPBSA-N 1 1 354.519 4.639 50 0 FJAAMO Clc1cccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1Cl ZINC000019831785 526976112 /nfs/dbraw/zinc/97/61/12/526976112.db2.gz SEOSVDFYKDQSQO-VMPITWQZSA-N 1 1 361.316 4.824 50 0 FJAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000001447694 570500655 /nfs/dbraw/zinc/50/06/55/570500655.db2.gz CLXARJFIOBTLGD-QGZVFWFLSA-N 1 1 372.472 4.843 50 0 FJAAMO CCCOc1c(Cl)cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1OCC ZINC000113397835 570544343 /nfs/dbraw/zinc/54/43/43/570544343.db2.gz WZLOWOXCTKTVLJ-UHFFFAOYSA-N 1 1 373.884 4.694 50 0 FJAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000004745065 570604520 /nfs/dbraw/zinc/60/45/20/570604520.db2.gz IVSOCRIDXMJPBC-QHCPKHFHSA-N 1 1 372.512 4.710 50 0 FJAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000426490296 570607736 /nfs/dbraw/zinc/60/77/36/570607736.db2.gz ZJFVEDUPUMGRLA-OEMFJLHTSA-N 1 1 365.517 4.820 50 0 FJAAMO C[N@H+](Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252510609 570623582 /nfs/dbraw/zinc/62/35/82/570623582.db2.gz ARARJJISSMNJMD-HIFRSBDPSA-N 1 1 362.709 4.798 50 0 FJAAMO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252510609 570623588 /nfs/dbraw/zinc/62/35/88/570623588.db2.gz ARARJJISSMNJMD-HIFRSBDPSA-N 1 1 362.709 4.798 50 0 FJAAMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418893 570625669 /nfs/dbraw/zinc/62/56/69/570625669.db2.gz DCAXHAMYUUUKBK-YSIASYRMSA-N 1 1 374.525 4.855 50 0 FJAAMO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005451190 570658358 /nfs/dbraw/zinc/65/83/58/570658358.db2.gz DWXOOLPVZQPZHK-MRXNPFEDSA-N 1 1 372.852 4.555 50 0 FJAAMO CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000003583245 570662868 /nfs/dbraw/zinc/66/28/68/570662868.db2.gz OKSCCPHPBOMYPH-UHFFFAOYSA-N 1 1 358.869 4.803 50 0 FJAAMO C[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735140 570669726 /nfs/dbraw/zinc/66/97/26/570669726.db2.gz MRGJXMGXQNYXHC-IBGZPJMESA-N 1 1 362.517 4.690 50 0 FJAAMO Brc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852716 570694705 /nfs/dbraw/zinc/69/47/05/570694705.db2.gz KHPXBRWXMRTKRV-OAHLLOKOSA-N 1 1 370.294 4.705 50 0 FJAAMO O=C(CC1CCCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011839158 570708778 /nfs/dbraw/zinc/70/87/78/570708778.db2.gz QYOMXJROUKYIGI-HSZRJFAPSA-N 1 1 372.528 4.611 50 0 FJAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000011842301 570709170 /nfs/dbraw/zinc/70/91/70/570709170.db2.gz IDUKTILQISADCC-QHCPKHFHSA-N 1 1 364.533 4.522 50 0 FJAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 ZINC000011951807 570713105 /nfs/dbraw/zinc/71/31/05/570713105.db2.gz IPJOAMGCVZRPJZ-CQSZACIVSA-N 1 1 354.425 4.991 50 0 FJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 ZINC000011951807 570713108 /nfs/dbraw/zinc/71/31/08/570713108.db2.gz IPJOAMGCVZRPJZ-CQSZACIVSA-N 1 1 354.425 4.991 50 0 FJAAMO O=C1CC[C@@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccccc1Cl ZINC000012218122 570727996 /nfs/dbraw/zinc/72/79/96/570727996.db2.gz JSYSWNKHUVBVIV-CMKODMSKSA-N 1 1 374.956 4.733 50 0 FJAAMO CC(C)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)[nH]n1 ZINC000012302749 570734489 /nfs/dbraw/zinc/73/44/89/570734489.db2.gz VCIYIPVUIWFZJH-GOSISDBHSA-N 1 1 361.489 4.781 50 0 FJAAMO CC(C)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)[nH]n1 ZINC000012302749 570734495 /nfs/dbraw/zinc/73/44/95/570734495.db2.gz VCIYIPVUIWFZJH-GOSISDBHSA-N 1 1 361.489 4.781 50 0 FJAAMO c1csc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012308678 570735434 /nfs/dbraw/zinc/73/54/34/570735434.db2.gz MTNAOIFLJZNSMM-UHFFFAOYSA-N 1 1 369.578 4.800 50 0 FJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1F ZINC000012713106 570757777 /nfs/dbraw/zinc/75/77/77/570757777.db2.gz OANZUHTTWBZRMD-QGZVFWFLSA-N 1 1 373.493 4.651 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1F ZINC000012713106 570757781 /nfs/dbraw/zinc/75/77/81/570757781.db2.gz OANZUHTTWBZRMD-QGZVFWFLSA-N 1 1 373.493 4.651 50 0 FJAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000007977091 570765869 /nfs/dbraw/zinc/76/58/69/570765869.db2.gz IEAVXFPBFLSDIE-UHFFFAOYSA-N 1 1 369.484 4.641 50 0 FJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1Cl ZINC000012980341 570769910 /nfs/dbraw/zinc/76/99/10/570769910.db2.gz LXZPGWYVOAPHAW-IBGZPJMESA-N 1 1 374.868 4.858 50 0 FJAAMO Cc1ccc2c(C[N@@H+](C)CCOc3ccccc3Cl)cc(=O)oc2c1C ZINC000012995007 570771262 /nfs/dbraw/zinc/77/12/62/570771262.db2.gz NPYKCEQUQCWLPM-UHFFFAOYSA-N 1 1 371.864 4.574 50 0 FJAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013038817 570773072 /nfs/dbraw/zinc/77/30/72/570773072.db2.gz HADOUBDXBWJAHO-SNVBAGLBSA-N 1 1 368.321 4.537 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013038817 570773076 /nfs/dbraw/zinc/77/30/76/570773076.db2.gz HADOUBDXBWJAHO-SNVBAGLBSA-N 1 1 368.321 4.537 50 0 FJAAMO Cc1ccc(N2[C@@H]3CCCCC[N@H+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301687 570776293 /nfs/dbraw/zinc/77/62/93/570776293.db2.gz QKBJYJLZSLIWFC-NHCUHLMSSA-N 1 1 356.897 4.516 50 0 FJAAMO C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032904218 570843019 /nfs/dbraw/zinc/84/30/19/570843019.db2.gz OXOXYDWEGJJKNN-GOSISDBHSA-N 1 1 366.505 4.857 50 0 FJAAMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000019594928 570895812 /nfs/dbraw/zinc/89/58/12/570895812.db2.gz PFTLAYPVEAWDQL-OAHLLOKOSA-N 1 1 371.406 4.874 50 0 FJAAMO c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000019608704 570896249 /nfs/dbraw/zinc/89/62/49/570896249.db2.gz IJKAWMZEORTLJE-UHFFFAOYSA-N 1 1 354.497 4.576 50 0 FJAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O ZINC000019770661 570902195 /nfs/dbraw/zinc/90/21/95/570902195.db2.gz DMOWZSYXSWRCIZ-FOWTUZBSSA-N 1 1 364.536 4.524 50 0 FJAAMO CCN1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000019902627 570905811 /nfs/dbraw/zinc/90/58/11/570905811.db2.gz MPSRXGBBGHMKMG-QFIPXVFZSA-N 1 1 367.924 4.857 50 0 FJAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720029 570933258 /nfs/dbraw/zinc/93/32/58/570933258.db2.gz PUUGHWNISNBGSP-IBGZPJMESA-N 1 1 350.466 4.635 50 0 FJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720808 570934022 /nfs/dbraw/zinc/93/40/22/570934022.db2.gz RUOLEZRLDKVBDI-LJQANCHMSA-N 1 1 364.493 4.889 50 0 FJAAMO Fc1ccccc1-c1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000072087682 570936675 /nfs/dbraw/zinc/93/66/75/570936675.db2.gz UZUGBIQRIWMLDS-LJQANCHMSA-N 1 1 354.450 4.523 50 0 FJAAMO Fc1ccccc1-c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000072087682 570936678 /nfs/dbraw/zinc/93/66/78/570936678.db2.gz UZUGBIQRIWMLDS-LJQANCHMSA-N 1 1 354.450 4.523 50 0 FJAAMO COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CO)oc(C)c2-c1ccccc1 ZINC000022077698 570938962 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/nfs/dbraw/zinc/74/97/90/526749790.db2.gz MMDCVINZEFJINO-MRXNPFEDSA-N 1 1 370.424 4.673 50 0 FJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1Cl ZINC000239275113 526947035 /nfs/dbraw/zinc/94/70/35/526947035.db2.gz BEZVXVHCCOVMBX-WOJBJXKFSA-N 1 1 367.364 5.222 50 0 FJAAMO CCSc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299771627 529257381 /nfs/dbraw/zinc/25/73/81/529257381.db2.gz ROFBZMOLGLUOTC-SFHVURJKSA-N 1 1 369.534 4.537 50 0 FJAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)[nH]1 ZINC000215581725 568078225 /nfs/dbraw/zinc/07/82/25/568078225.db2.gz LUBBOSQQBYOBCO-MRXNPFEDSA-N 1 1 368.506 4.545 50 0 FJAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)n1 ZINC000215581725 568078226 /nfs/dbraw/zinc/07/82/26/568078226.db2.gz LUBBOSQQBYOBCO-MRXNPFEDSA-N 1 1 368.506 4.545 50 0 FJAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)n1 ZINC000215581725 568078227 /nfs/dbraw/zinc/07/82/27/568078227.db2.gz LUBBOSQQBYOBCO-MRXNPFEDSA-N 1 1 368.506 4.545 50 0 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/nfs/dbraw/zinc/89/09/45/570890945.db2.gz DLAJATNQNMJPKA-NRFANRHFSA-N 1 1 350.487 4.896 50 0 FJAAMO Cc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019597037 570895606 /nfs/dbraw/zinc/89/56/06/570895606.db2.gz DKMIDSOGWSVVDW-UHFFFAOYSA-N 1 1 370.496 4.542 50 0 FJAAMO CCN(CC)CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019691192 570898540 /nfs/dbraw/zinc/89/85/40/570898540.db2.gz QSDFLKRTJKOAMI-UHFFFAOYSA-N 1 1 362.517 4.850 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720053 570933326 /nfs/dbraw/zinc/93/33/26/570933326.db2.gz JZZCCURHYHFQRD-IBGZPJMESA-N 1 1 350.466 4.834 50 0 FJAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720053 570933327 /nfs/dbraw/zinc/93/33/27/570933327.db2.gz JZZCCURHYHFQRD-IBGZPJMESA-N 1 1 350.466 4.834 50 0 FJAAMO Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663719 571017752 /nfs/dbraw/zinc/01/77/52/571017752.db2.gz XLGXZWHPYRSTMX-HXUWFJFHSA-N 1 1 356.897 4.605 50 0 FJAAMO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664512 571018480 /nfs/dbraw/zinc/01/84/80/571018480.db2.gz ZPGDFGDGXIFPET-HXUWFJFHSA-N 1 1 356.897 4.605 50 0 FJAAMO COc1cc(C)ccc1C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225566585 571045945 /nfs/dbraw/zinc/04/59/45/571045945.db2.gz SJDYMMIAXFMMKM-OAHLLOKOSA-N 1 1 371.481 4.596 50 0 FJAAMO COc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008572512 571050457 /nfs/dbraw/zinc/05/04/57/571050457.db2.gz OSAMSDLBJQEKEF-MRXNPFEDSA-N 1 1 362.473 4.848 50 0 FJAAMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc2ccccc21 ZINC000012730068 571054507 /nfs/dbraw/zinc/05/45/07/571054507.db2.gz VSSYGCXQZLHNNW-UHFFFAOYSA-N 1 1 354.400 4.579 50 0 FJAAMO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3CC)c(=O)c2c1 ZINC000008717332 571056996 /nfs/dbraw/zinc/05/69/96/571056996.db2.gz UUBLOMGJMUOWRT-KRWDZBQOSA-N 1 1 370.493 4.580 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000012764901 571084061 /nfs/dbraw/zinc/08/40/61/571084061.db2.gz QWPXRTCBLHXPEF-OAQYLSRUSA-N 1 1 363.457 4.756 50 0 FJAAMO Cc1cc(C)c(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000245224732 571094638 /nfs/dbraw/zinc/09/46/38/571094638.db2.gz CLQOWQIQBDGAFV-CABCVRRESA-N 1 1 353.963 4.506 50 0 FJAAMO CSc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000009613746 571115234 /nfs/dbraw/zinc/11/52/34/571115234.db2.gz MEHMGJHPTWOTHK-OAHLLOKOSA-N 1 1 353.491 4.960 50 0 FJAAMO CSc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000009613746 571115236 /nfs/dbraw/zinc/11/52/36/571115236.db2.gz MEHMGJHPTWOTHK-OAHLLOKOSA-N 1 1 353.491 4.960 50 0 FJAAMO CSc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009613715 571115318 /nfs/dbraw/zinc/11/53/18/571115318.db2.gz LCWDNMYEUIQTSB-CYBMUJFWSA-N 1 1 357.454 4.791 50 0 FJAAMO CSc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009613715 571115321 /nfs/dbraw/zinc/11/53/21/571115321.db2.gz LCWDNMYEUIQTSB-CYBMUJFWSA-N 1 1 357.454 4.791 50 0 FJAAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010101802 571122612 /nfs/dbraw/zinc/12/26/12/571122612.db2.gz PSUABXQAZILARQ-ZDUSSCGKSA-N 1 1 361.367 4.948 50 0 FJAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010101802 571122614 /nfs/dbraw/zinc/12/26/14/571122614.db2.gz PSUABXQAZILARQ-ZDUSSCGKSA-N 1 1 361.367 4.948 50 0 FJAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000057945620 571122979 /nfs/dbraw/zinc/12/29/79/571122979.db2.gz LCJDLORHHBJWEB-KRWDZBQOSA-N 1 1 372.468 4.595 50 0 FJAAMO CC(C)([NH2+]Cn1nc(-c2cccs2)n(C2CC2)c1=S)c1ccccc1 ZINC000057995078 571123596 /nfs/dbraw/zinc/12/35/96/571123596.db2.gz WBAZHQIJYAHSGC-UHFFFAOYSA-N 1 1 370.547 4.960 50 0 FJAAMO CN(C)CCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247976343 571126956 /nfs/dbraw/zinc/12/69/56/571126956.db2.gz INZRHNHMENIAKV-UHFFFAOYSA-N 1 1 373.903 4.523 50 0 FJAAMO C[NH+](C)CCCNCc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247976343 571126957 /nfs/dbraw/zinc/12/69/57/571126957.db2.gz INZRHNHMENIAKV-UHFFFAOYSA-N 1 1 373.903 4.523 50 0 FJAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)C)cc1 ZINC000000904239 571129877 /nfs/dbraw/zinc/12/98/77/571129877.db2.gz HZZCWHHSGQZABE-UHFFFAOYSA-N 1 1 374.282 4.983 50 0 FJAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1)C(C)C ZINC000058281343 571130613 /nfs/dbraw/zinc/13/06/13/571130613.db2.gz XOLXXCFVUIBGSH-UHFFFAOYSA-N 1 1 363.461 4.824 50 0 FJAAMO CCOc1ccc(-c2noc(C[N@H+](Cc3ccc(C)s3)C(C)C)n2)cc1 ZINC000060041968 571135903 /nfs/dbraw/zinc/13/59/03/571135903.db2.gz INCFAZKKPHKQTJ-UHFFFAOYSA-N 1 1 371.506 4.916 50 0 FJAAMO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccc(C)s3)C(C)C)n2)cc1 ZINC000060041968 571135907 /nfs/dbraw/zinc/13/59/07/571135907.db2.gz INCFAZKKPHKQTJ-UHFFFAOYSA-N 1 1 371.506 4.916 50 0 FJAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000015861051 571138562 /nfs/dbraw/zinc/13/85/62/571138562.db2.gz CIGTXSAHZPGOSR-UHFFFAOYSA-N 1 1 354.881 4.728 50 0 FJAAMO 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/nfs/dbraw/zinc/09/97/82/571099782.db2.gz UIRHQKUWLCQHJJ-JOCHJYFZSA-N 1 1 360.457 4.507 50 0 FJAAMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)c1 ZINC000069583249 571099785 /nfs/dbraw/zinc/09/97/85/571099785.db2.gz UIRHQKUWLCQHJJ-JOCHJYFZSA-N 1 1 360.457 4.507 50 0 FJAAMO Cc1cccc(OCCn2c3ccccc3nc2C[NH+]2CCCCC2)c1C ZINC000009184786 571100008 /nfs/dbraw/zinc/10/00/08/571100008.db2.gz HQVWMOPTELIZMY-UHFFFAOYSA-N 1 1 363.505 4.718 50 0 FJAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009453967 571109585 /nfs/dbraw/zinc/10/95/85/571109585.db2.gz FRCPCHFLVBFJKV-ZDUSSCGKSA-N 1 1 373.403 4.607 50 0 FJAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009453967 571109586 /nfs/dbraw/zinc/10/95/86/571109586.db2.gz FRCPCHFLVBFJKV-ZDUSSCGKSA-N 1 1 373.403 4.607 50 0 FJAAMO CSc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000009613747 571115188 /nfs/dbraw/zinc/11/51/88/571115188.db2.gz MEHMGJHPTWOTHK-HNNXBMFYSA-N 1 1 353.491 4.960 50 0 FJAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000009613747 571115191 /nfs/dbraw/zinc/11/51/91/571115191.db2.gz MEHMGJHPTWOTHK-HNNXBMFYSA-N 1 1 353.491 4.960 50 0 FJAAMO CSc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009613714 571115206 /nfs/dbraw/zinc/11/52/06/571115206.db2.gz LCWDNMYEUIQTSB-ZDUSSCGKSA-N 1 1 357.454 4.791 50 0 FJAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009613714 571115208 /nfs/dbraw/zinc/11/52/08/571115208.db2.gz LCWDNMYEUIQTSB-ZDUSSCGKSA-N 1 1 357.454 4.791 50 0 FJAAMO Cc1ccc(SCC[N@@H+](C)Cc2cccnc2NC(=O)C(C)(C)C)cc1 ZINC000055042191 571115804 /nfs/dbraw/zinc/11/58/04/571115804.db2.gz IRDLHDNEDXFDJZ-UHFFFAOYSA-N 1 1 371.550 4.599 50 0 FJAAMO Cc1ccc(SCC[N@H+](C)Cc2cccnc2NC(=O)C(C)(C)C)cc1 ZINC000055042191 571115806 /nfs/dbraw/zinc/11/58/06/571115806.db2.gz IRDLHDNEDXFDJZ-UHFFFAOYSA-N 1 1 371.550 4.599 50 0 FJAAMO Cc1ccsc1C[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC(C)C ZINC000055575989 571121252 /nfs/dbraw/zinc/12/12/52/571121252.db2.gz ISZNBGLBBAVOIJ-UHFFFAOYSA-N 1 1 358.482 4.695 50 0 FJAAMO c1ccc2sc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000058161197 571126332 /nfs/dbraw/zinc/12/63/32/571126332.db2.gz WAEYRHCZASHIII-KRWDZBQOSA-N 1 1 366.486 4.795 50 0 FJAAMO c1ccc2sc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000058161197 571126335 /nfs/dbraw/zinc/12/63/35/571126335.db2.gz WAEYRHCZASHIII-KRWDZBQOSA-N 1 1 366.486 4.795 50 0 FJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000058160709 571126411 /nfs/dbraw/zinc/12/64/11/571126411.db2.gz YPDHYJAXCHGMNL-UHFFFAOYSA-N 1 1 368.839 4.797 50 0 FJAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1-c1ccccc1 ZINC000021783205 571138290 /nfs/dbraw/zinc/13/82/90/571138290.db2.gz PEJASUNNXCIYRP-UHFFFAOYSA-N 1 1 371.484 4.533 50 0 FJAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(C)C)c(OC)c2)on1 ZINC000064984399 571141425 /nfs/dbraw/zinc/14/14/25/571141425.db2.gz VGCHVBSLFSEDCE-GOSISDBHSA-N 1 1 358.482 4.618 50 0 FJAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC(C)C)c(OC)c2)on1 ZINC000064984399 571141427 /nfs/dbraw/zinc/14/14/27/571141427.db2.gz VGCHVBSLFSEDCE-GOSISDBHSA-N 1 1 358.482 4.618 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CC[C@H](c2ccnc(-c3c[nH]c4c3cccc4C)c2)C1 ZINC000065373053 571142119 /nfs/dbraw/zinc/14/21/19/571142119.db2.gz QYTSPDYUBPSEHX-SFHVURJKSA-N 1 1 371.488 4.559 50 0 FJAAMO Cc1ccccc1-c1ncc(C[NH2+][C@@H](C)c2cn3ccsc3n2)s1 ZINC000065374058 571142246 /nfs/dbraw/zinc/14/22/46/571142246.db2.gz XDRAVNIPAUHQIM-ZDUSSCGKSA-N 1 1 354.504 4.679 50 0 FJAAMO Cc1ccccc1-c1cc([C@H]2CC[N@H+](Cc3cnn(C)c3C3CC3)C2)ccn1 ZINC000065397869 571142808 /nfs/dbraw/zinc/14/28/08/571142808.db2.gz UFSRDJONNRTQAA-FQEVSTJZSA-N 1 1 372.516 4.657 50 0 FJAAMO c1sc2ccccc2c1-c1cc([C@H]2CC[N@H+](Cc3cncnc3)C2)ccn1 ZINC000065533542 571144904 /nfs/dbraw/zinc/14/49/04/571144904.db2.gz WEYJNLLIISASLB-SFHVURJKSA-N 1 1 372.497 4.743 50 0 FJAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccccc2)CCO3)s1 ZINC000067713339 571148579 /nfs/dbraw/zinc/14/85/79/571148579.db2.gz NMRUQJXMSNTRBW-UHFFFAOYSA-N 1 1 351.471 4.824 50 0 FJAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2ccccc2)CCO3)s1 ZINC000067713339 571148580 /nfs/dbraw/zinc/14/85/80/571148580.db2.gz NMRUQJXMSNTRBW-UHFFFAOYSA-N 1 1 351.471 4.824 50 0 FJAAMO Cc1cc(C)cc(NC(=S)NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000004683338 571159962 /nfs/dbraw/zinc/15/99/62/571159962.db2.gz GHMVBPVQMGRAOP-RBUKOAKNSA-N 1 1 367.562 4.673 50 0 FJAAMO Cc1c2cc(CNc3nc(N)c(C)c[nH+]3)ccc2[nH]c1-c1ccccc1F ZINC000071762139 571165445 /nfs/dbraw/zinc/16/54/45/571165445.db2.gz RTSWSRGNKIWACE-UHFFFAOYSA-N 1 1 361.424 4.575 50 0 FJAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072139014 571171751 /nfs/dbraw/zinc/17/17/51/571171751.db2.gz YMMOVGSNNMBBSB-KRWDZBQOSA-N 1 1 361.480 4.662 50 0 FJAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000012559034 571181590 /nfs/dbraw/zinc/18/15/90/571181590.db2.gz NSUVMXSXJKMNEZ-OAHLLOKOSA-N 1 1 373.447 4.640 50 0 FJAAMO CCCc1nc2ccc(CCC(=O)Nc3ccc(OC)c(Cl)c3)cc2[nH]1 ZINC000075465689 571186205 /nfs/dbraw/zinc/18/62/05/571186205.db2.gz YVLROANJASICKV-UHFFFAOYSA-N 1 1 371.868 4.749 50 0 FJAAMO COc1ccc2cc(C[NH2+]Cc3ccco3)c(N3CCCCCC3)nc2c1 ZINC000299769355 571195509 /nfs/dbraw/zinc/19/55/09/571195509.db2.gz PCVNNGAVWKWHML-UHFFFAOYSA-N 1 1 365.477 4.507 50 0 FJAAMO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1nnc2n1CCCCC2 ZINC000054040761 571198449 /nfs/dbraw/zinc/19/84/49/571198449.db2.gz NLRVYYCOPHDGPA-HNNXBMFYSA-N 1 1 352.507 4.584 50 0 FJAAMO Cc1[nH]ncc1C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000075582606 571201332 /nfs/dbraw/zinc/20/13/32/571201332.db2.gz BWYDOPHWRAAZLF-UHFFFAOYSA-N 1 1 362.315 4.516 50 0 FJAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000022343827 571201944 /nfs/dbraw/zinc/20/19/44/571201944.db2.gz QPUBICHLZCRTNT-AWEZNQCLSA-N 1 1 363.288 4.512 50 0 FJAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1cc(Cl)ccc1Cl ZINC000085651296 571233643 /nfs/dbraw/zinc/23/36/43/571233643.db2.gz DBJVUKOOBVIUHF-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000085651301 571233716 /nfs/dbraw/zinc/23/37/16/571233716.db2.gz WZFGJVMEYUJRCC-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO CC(=O)c1cccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624665 571237415 /nfs/dbraw/zinc/23/74/15/571237415.db2.gz RKUSPIIJEPLHLY-JOCHJYFZSA-N 1 1 352.478 4.670 50 0 FJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000036347691 571248768 /nfs/dbraw/zinc/24/87/68/571248768.db2.gz BEPFOWNUEYLBSZ-QHCPKHFHSA-N 1 1 362.473 4.501 50 0 FJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1O ZINC000036348730 571248949 /nfs/dbraw/zinc/24/89/49/571248949.db2.gz UPKMJYQGRIKSPR-HSZRJFAPSA-N 1 1 362.473 4.506 50 0 FJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000036347919 571249072 /nfs/dbraw/zinc/24/90/72/571249072.db2.gz UXBJZGLGOORRKO-QHCPKHFHSA-N 1 1 362.473 4.501 50 0 FJAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H]1c1cccn1C 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369.484 4.607 50 0 FJAAMO C[C@H]1CCC[N@@H+](CCCCOc2ccc(Br)cc2Cl)C1 ZINC000002824902 571275755 /nfs/dbraw/zinc/27/57/55/571275755.db2.gz KYUJTORQOPNBTE-ZDUSSCGKSA-N 1 1 360.723 4.993 50 0 FJAAMO CC[C@H](C)C(=O)OC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252669061 571292269 /nfs/dbraw/zinc/29/22/69/571292269.db2.gz GJJKYTBLENQIRA-LXZKKBNFSA-N 1 1 357.416 4.678 50 0 FJAAMO Cc1ccc(Cl)c(-c2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000584886119 571313850 /nfs/dbraw/zinc/31/38/50/571313850.db2.gz PNAOZAZVHVHLIB-IBGZPJMESA-N 1 1 368.908 4.626 50 0 FJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccc(Cl)cc2s1 ZINC000079192543 571327257 /nfs/dbraw/zinc/32/72/57/571327257.db2.gz NNJADAKPFVSVOC-GOEBONIOSA-N 1 1 362.926 4.549 50 0 FJAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000095468628 571330556 /nfs/dbraw/zinc/33/05/56/571330556.db2.gz LPYRLUWIVBYJFA-KRWDZBQOSA-N 1 1 350.437 4.993 50 0 FJAAMO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000020733530 571331630 /nfs/dbraw/zinc/33/16/30/571331630.db2.gz PQESEMZKLHXENR-WIYYLYMNSA-N 1 1 373.610 4.975 50 0 FJAAMO C[N@H+](Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951871 571332718 /nfs/dbraw/zinc/33/27/18/571332718.db2.gz ARARJJISSMNJMD-ZFWWWQNUSA-N 1 1 362.709 4.798 50 0 FJAAMO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951871 571332719 /nfs/dbraw/zinc/33/27/19/571332719.db2.gz ARARJJISSMNJMD-ZFWWWQNUSA-N 1 1 362.709 4.798 50 0 FJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)CC(C)C)cc2)[nH+]1 ZINC000021794267 571335979 /nfs/dbraw/zinc/33/59/79/571335979.db2.gz FSSXIIDRQARBMZ-UHFFFAOYSA-N 1 1 367.497 4.504 50 0 FJAAMO Cc1nc(Nc2ccc(NC(=O)CC(C)C)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794267 571335980 /nfs/dbraw/zinc/33/59/80/571335980.db2.gz FSSXIIDRQARBMZ-UHFFFAOYSA-N 1 1 367.497 4.504 50 0 FJAAMO CCC[C@H](C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000022349049 571336685 /nfs/dbraw/zinc/33/66/85/571336685.db2.gz BCVGMZHZTBXIFR-NZQKXSOJSA-N 1 1 364.533 4.665 50 0 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Cc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 ZINC000012282696 207352924 /nfs/dbraw/zinc/35/29/24/207352924.db2.gz NRYUIMWABJWGMV-UHFFFAOYSA-N 1 1 351.471 4.824 50 0 FJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012467675 207380934 /nfs/dbraw/zinc/38/09/34/207380934.db2.gz WDSCCIPHNPNLQA-MRXNPFEDSA-N 1 1 364.514 4.985 50 0 FJAAMO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000012472917 207383073 /nfs/dbraw/zinc/38/30/73/207383073.db2.gz NNNSBCXAYMNYKU-SFHVURJKSA-N 1 1 374.531 4.719 50 0 FJAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000012551736 207390685 /nfs/dbraw/zinc/39/06/85/207390685.db2.gz AZYIRHJYFWYAHK-MRXNPFEDSA-N 1 1 355.457 4.501 50 0 FJAAMO Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000012550785 207391292 /nfs/dbraw/zinc/39/12/92/207391292.db2.gz AJFVKRWTTCYMMF-GOSISDBHSA-N 1 1 351.494 4.670 50 0 FJAAMO c1ccc2sc(C[NH2+]Cc3ccc(OCc4cccnc4)cc3)nc2c1 ZINC000030546050 208001650 /nfs/dbraw/zinc/00/16/50/208001650.db2.gz XFGPLYHESMJTED-UHFFFAOYSA-N 1 1 361.470 4.560 50 0 FJAAMO COc1ccc2oc(=O)cc(C[N@@H+](C)Cc3ccc(C(C)C)cc3)c2c1 ZINC000033018740 208066536 /nfs/dbraw/zinc/06/65/36/208066536.db2.gz FDEAMAKWHCNLMB-UHFFFAOYSA-N 1 1 351.446 4.557 50 0 FJAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018704 208067405 /nfs/dbraw/zinc/06/74/05/208067405.db2.gz RVLAWPQALDBVJG-UHFFFAOYSA-N 1 1 371.864 4.867 50 0 FJAAMO O=C(NC1CC1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739898 208109222 /nfs/dbraw/zinc/10/92/22/208109222.db2.gz MCSJNHLWWGWDSR-RXVVDRJESA-N 1 1 368.908 4.572 50 0 FJAAMO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102646 208145161 /nfs/dbraw/zinc/14/51/61/208145161.db2.gz CPPYRWYTDQXEGJ-JOCHJYFZSA-N 1 1 367.439 4.571 50 0 FJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036104676 208147260 /nfs/dbraw/zinc/14/72/60/208147260.db2.gz JGYDSUPVEOECOA-XMMPIXPASA-N 1 1 363.476 4.740 50 0 FJAAMO Cc1ccccc1-c1csc2[nH]c(C[N@H+](C)C3CCCCC3)nc(=O)c12 ZINC000036203870 208148949 /nfs/dbraw/zinc/14/89/49/208148949.db2.gz ONCXSYZAMWRVJF-UHFFFAOYSA-N 1 1 367.518 4.725 50 0 FJAAMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c1 ZINC000036347428 208154100 /nfs/dbraw/zinc/15/41/00/208154100.db2.gz XHTBCMJGFPRNSC-HSZRJFAPSA-N 1 1 362.473 4.501 50 0 FJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347568 208156142 /nfs/dbraw/zinc/15/61/42/208156142.db2.gz MADJJRDKUGTIOZ-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347568 208156147 /nfs/dbraw/zinc/15/61/47/208156147.db2.gz MADJJRDKUGTIOZ-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO CN(C)CCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040719547 208264402 /nfs/dbraw/zinc/26/44/02/208264402.db2.gz AIGIVKIVWFMICC-UHFFFAOYSA-N 1 1 367.320 4.614 50 0 FJAAMO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000040732083 208264903 /nfs/dbraw/zinc/26/49/03/208264903.db2.gz MRUOEKSSDXOAQN-UHFFFAOYSA-N 1 1 356.828 4.743 50 0 FJAAMO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccnc2)c1 ZINC000040742904 208265275 /nfs/dbraw/zinc/26/52/75/208265275.db2.gz IIVFLLQKOGNWLX-UHFFFAOYSA-N 1 1 352.865 4.912 50 0 FJAAMO COc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019762041 220294709 /nfs/dbraw/zinc/29/47/09/220294709.db2.gz WFZDQZHEMCUHBQ-UHFFFAOYSA-N 1 1 372.468 4.506 50 0 biogenic,in-vitro FJAAMO Cc1ccc(C)c(NC(=O)N2CCC(C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718139 220364375 /nfs/dbraw/zinc/36/43/75/220364375.db2.gz ZQQUTVRSOCIZIK-HDICACEKSA-N 1 1 357.542 4.525 50 0 FJAAMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000048290923 221005905 /nfs/dbraw/zinc/00/59/05/221005905.db2.gz BILMVKJJVDYTNW-KRWDZBQOSA-N 1 1 354.475 4.619 50 0 FJAAMO CCCc1noc([C@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000048373958 221011398 /nfs/dbraw/zinc/01/13/98/221011398.db2.gz FAGXTDVOFQSQAC-LBPRGKRZSA-N 1 1 374.872 4.757 50 0 FJAAMO c1cnn(Cc2cccc(C[N@H+](Cc3ccsc3)Cc3cccnc3)c2)c1 ZINC000055211740 221062057 /nfs/dbraw/zinc/06/20/57/221062057.db2.gz AQBWEWYAPJSAMY-UHFFFAOYSA-N 1 1 374.513 4.590 50 0 FJAAMO c1cnn(Cc2cccc(C[N@@H+](Cc3ccsc3)Cc3cccnc3)c2)c1 ZINC000055211740 221062060 /nfs/dbraw/zinc/06/20/60/221062060.db2.gz AQBWEWYAPJSAMY-UHFFFAOYSA-N 1 1 374.513 4.590 50 0 FJAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)c1 ZINC000057369455 221087934 /nfs/dbraw/zinc/08/79/34/221087934.db2.gz OZFUVGPOMNGTBG-KRWDZBQOSA-N 1 1 354.475 4.651 50 0 FJAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)c1 ZINC000057369455 221087936 /nfs/dbraw/zinc/08/79/36/221087936.db2.gz OZFUVGPOMNGTBG-KRWDZBQOSA-N 1 1 354.475 4.651 50 0 FJAAMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427726 221089008 /nfs/dbraw/zinc/08/90/08/221089008.db2.gz FMWCJPWJSCACTC-QGZVFWFLSA-N 1 1 363.461 4.548 50 0 FJAAMO COC(=O)CC1=CC(SCc2cccc(C)c2)=[NH+]c2ccccc2N1 ZINC000064661247 221150000 /nfs/dbraw/zinc/15/00/00/221150000.db2.gz JSOBLVBWHKKQIL-UHFFFAOYSA-N 1 1 352.459 4.831 50 0 FJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)cc(C)[nH+]1 ZINC000064800720 221152511 /nfs/dbraw/zinc/15/25/11/221152511.db2.gz VUDLYASYXXJDSU-UHFFFAOYSA-N 1 1 361.449 4.521 50 0 FJAAMO COc1ccc([C@H](C)NC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)cc1 ZINC000065238996 221184759 /nfs/dbraw/zinc/18/47/59/221184759.db2.gz ZXPRLMZGNXOHMF-AWEZNQCLSA-N 1 1 370.518 4.506 50 0 FJAAMO Cc1ccccc1-c1cc([C@@H]2CC[N@H+](Cc3cnn(C)c3C3CC3)C2)ccn1 ZINC000065397868 221212378 /nfs/dbraw/zinc/21/23/78/221212378.db2.gz UFSRDJONNRTQAA-HXUWFJFHSA-N 1 1 372.516 4.657 50 0 FJAAMO C[C@H](c1ccc(CN2CCc3onc(-c4ccccc4)c3C2)cc1)[NH+](C)C ZINC000067850823 221295473 /nfs/dbraw/zinc/29/54/73/221295473.db2.gz RWTTWVLZCJEPJH-QGZVFWFLSA-N 1 1 361.489 4.523 50 0 FJAAMO Cc1c2cc(C)cc(CNc3nc(N)c(C)c[nH+]3)c2[nH]c1-c1ccccc1 ZINC000071753261 221364411 /nfs/dbraw/zinc/36/44/11/221364411.db2.gz VQYIYURRTGBBHD-UHFFFAOYSA-N 1 1 357.461 4.744 50 0 FJAAMO CC(C)c1nccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)n1 ZINC000071759241 221366552 /nfs/dbraw/zinc/36/65/52/221366552.db2.gz SVKSPUAUOFVMOP-IBGZPJMESA-N 1 1 373.500 4.848 50 0 FJAAMO CC(C)c1nccc(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)n1 ZINC000071759241 221366554 /nfs/dbraw/zinc/36/65/54/221366554.db2.gz SVKSPUAUOFVMOP-IBGZPJMESA-N 1 1 373.500 4.848 50 0 FJAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071708132 221354892 /nfs/dbraw/zinc/35/48/92/221354892.db2.gz COMFPAJOQURGGX-MRXNPFEDSA-N 1 1 365.443 4.592 50 0 FJAAMO Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000000948643 132252400 /nfs/dbraw/zinc/25/24/00/132252400.db2.gz JPIYMAWKDGOCGR-UHFFFAOYSA-N 1 1 353.853 4.777 50 0 FJAAMO Oc1cccc(C[N@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)c1 ZINC000072433644 136147093 /nfs/dbraw/zinc/14/70/93/136147093.db2.gz VTKNDHYORZRPSV-UHFFFAOYSA-N 1 1 373.500 4.575 50 0 FJAAMO CN(Cc1ccc([C@@H]2CCCCO2)s1)Cc1cccc(C[NH+](C)C)c1 ZINC000097674312 222204970 /nfs/dbraw/zinc/20/49/70/222204970.db2.gz UPAIEFLYOSNOTN-FQEVSTJZSA-N 1 1 358.551 4.683 50 0 FJAAMO CCN(Cc1nc2ccccc2s1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106928375 222389537 /nfs/dbraw/zinc/38/95/37/222389537.db2.gz FGWKVWAHBHICAB-MJGOQNOKSA-N 1 1 365.546 4.954 50 0 FJAAMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957168 263368747 /nfs/dbraw/zinc/36/87/47/263368747.db2.gz NSKXDJCEPYVQBU-QGZVFWFLSA-N 1 1 373.880 4.539 50 0 FJAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957173 263369043 /nfs/dbraw/zinc/36/90/43/263369043.db2.gz NSKXDJCEPYVQBU-KRWDZBQOSA-N 1 1 373.880 4.539 50 0 FJAAMO CC(C)[N@H+]1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H]1C ZINC000426484463 263601115 /nfs/dbraw/zinc/60/11/15/263601115.db2.gz MPXWOAZCMKXUFC-HNNXBMFYSA-N 1 1 374.887 4.701 50 0 FJAAMO CCCOc1c(Br)cc(C[NH2+]Cc2ccco2)cc1OCC ZINC000020932520 520293571 /nfs/dbraw/zinc/29/35/71/520293571.db2.gz IZXBBKXYHBUYHS-UHFFFAOYSA-N 1 1 368.271 4.519 50 0 FJAAMO C[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc2ccccc2c1 ZINC000089904629 525891671 /nfs/dbraw/zinc/89/16/71/525891671.db2.gz FWGDKNXPLGEOIE-VGSWGCGISA-N 1 1 360.457 4.504 50 0 FJAAMO C[C@@H](OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnc2ccccc2c1 ZINC000089904629 525891682 /nfs/dbraw/zinc/89/16/82/525891682.db2.gz FWGDKNXPLGEOIE-VGSWGCGISA-N 1 1 360.457 4.504 50 0 FJAAMO c1csc(-c2noc(C[N@@H+]3CCCC[C@H]3CCc3ccccc3)n2)c1 ZINC000012585321 526576070 /nfs/dbraw/zinc/57/60/70/526576070.db2.gz WVSUSAKFWHBFHR-KRWDZBQOSA-N 1 1 353.491 4.785 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1 ZINC000020560704 526664811 /nfs/dbraw/zinc/66/48/11/526664811.db2.gz PVDYDUZNUAGAAF-OUGHUQCRSA-N 1 1 363.379 4.907 50 0 FJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000020560704 526664815 /nfs/dbraw/zinc/66/48/15/526664815.db2.gz PVDYDUZNUAGAAF-OUGHUQCRSA-N 1 1 363.379 4.907 50 0 FJAAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2ccc3cccc(OC)c3n2)C1 ZINC000095356100 535153220 /nfs/dbraw/zinc/15/32/20/535153220.db2.gz FLQSYBDYRXAZTD-SFHVURJKSA-N 1 1 364.493 4.624 50 0 FJAAMO CN(Cc1ccc([C@@H]2CCCO2)s1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215381200 568067102 /nfs/dbraw/zinc/06/71/02/568067102.db2.gz XUDNVGUJXPIRGH-NRFANRHFSA-N 1 1 370.562 4.827 50 0 FJAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000216158958 568109001 /nfs/dbraw/zinc/10/90/01/568109001.db2.gz BQSUVBAZBHPBCT-KRWDZBQOSA-N 1 1 367.880 4.524 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC000216169919 568109583 /nfs/dbraw/zinc/10/95/83/568109583.db2.gz XIOQELYSBBYAKV-HZPDHXFCSA-N 1 1 357.448 4.891 50 0 FJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000058161226 568310302 /nfs/dbraw/zinc/31/03/02/568310302.db2.gz ILZLUVMIIUIHIY-UHFFFAOYSA-N 1 1 350.849 4.658 50 0 FJAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Br ZINC000000757293 570455458 /nfs/dbraw/zinc/45/54/58/570455458.db2.gz HTDDXJUOHOGXSM-BBRMVZONSA-N 1 1 368.315 4.621 50 0 FJAAMO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(-c2ccccc2)cc1 ZINC000001823679 570508562 /nfs/dbraw/zinc/50/85/62/570508562.db2.gz AEPNJSXHHVEOEX-UHFFFAOYSA-N 1 1 367.452 4.623 50 0 FJAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515308 570523727 /nfs/dbraw/zinc/52/37/27/570523727.db2.gz WJNAWOOAERWDKA-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO CCOc1cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C ZINC000113397618 570543965 /nfs/dbraw/zinc/54/39/65/570543965.db2.gz CZPMYYFYYWSXHD-UHFFFAOYSA-N 1 1 373.884 4.692 50 0 FJAAMO Cc1cccc(COc2ccccc2C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000113397847 570544480 /nfs/dbraw/zinc/54/44/80/570544480.db2.gz WMAAZQFEEJOTLM-UHFFFAOYSA-N 1 1 357.457 4.740 50 0 FJAAMO C[N@@H+](C[C@@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000247958019 570593105 /nfs/dbraw/zinc/59/31/05/570593105.db2.gz DKCBNRHIQRQBQK-FGZHOGPDSA-N 1 1 353.412 4.720 50 0 FJAAMO CCCCOc1ccc(C[NH+]2CCN(c3ccccc3OCC)CC2)cc1 ZINC000004980498 570615758 /nfs/dbraw/zinc/61/57/58/570615758.db2.gz SSALAKQTIQWDHG-UHFFFAOYSA-N 1 1 368.521 4.586 50 0 FJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005151090 570621699 /nfs/dbraw/zinc/62/16/99/570621699.db2.gz KDSGEFWXLQJWCW-PMOQBDJRSA-N 1 1 369.480 4.703 50 0 FJAAMO Cc1[nH+]ccn1-c1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000005343397 570648426 /nfs/dbraw/zinc/64/84/26/570648426.db2.gz VDHBCWDXGVIRHN-UHFFFAOYSA-N 1 1 365.868 4.841 50 0 FJAAMO COc1ccc(CCNc2c(Cl)c(C)[nH+]c(C)c2Cl)cc1OC ZINC000006920700 570656726 /nfs/dbraw/zinc/65/67/26/570656726.db2.gz NCLSBZLMZCMHHK-UHFFFAOYSA-N 1 1 355.265 4.677 50 0 FJAAMO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000008435790 570682097 /nfs/dbraw/zinc/68/20/97/570682097.db2.gz SMDKIMBRBJJTMM-UHFFFAOYSA-N 1 1 356.828 4.743 50 0 FJAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011911524 570711280 /nfs/dbraw/zinc/71/12/80/570711280.db2.gz CGPNREFTMCXNJP-OAQYLSRUSA-N 1 1 373.500 4.700 50 0 FJAAMO Cn1cc(C[N@H+](C)Cc2ccno2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012054087 570715552 /nfs/dbraw/zinc/71/55/52/570715552.db2.gz NFSHGDRINJOBTQ-UHFFFAOYSA-N 1 1 364.493 4.755 50 0 FJAAMO Cn1cc(C[N@@H+](C)Cc2ccno2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012054087 570715555 /nfs/dbraw/zinc/71/55/55/570715555.db2.gz NFSHGDRINJOBTQ-UHFFFAOYSA-N 1 1 364.493 4.755 50 0 FJAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012191936 570725903 /nfs/dbraw/zinc/72/59/03/570725903.db2.gz UTKRXVLAJDCBIT-OAHLLOKOSA-N 1 1 364.272 4.794 50 0 FJAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012191936 570725908 /nfs/dbraw/zinc/72/59/08/570725908.db2.gz UTKRXVLAJDCBIT-OAHLLOKOSA-N 1 1 364.272 4.794 50 0 FJAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)c(F)c1 ZINC000012385308 570741028 /nfs/dbraw/zinc/74/10/28/570741028.db2.gz JVMFENCRTHMGMX-MRXNPFEDSA-N 1 1 373.493 4.651 50 0 FJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)c(F)c1 ZINC000012385308 570741029 /nfs/dbraw/zinc/74/10/29/570741029.db2.gz JVMFENCRTHMGMX-MRXNPFEDSA-N 1 1 373.493 4.651 50 0 FJAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012386830 570741238 /nfs/dbraw/zinc/74/12/38/570741238.db2.gz CQIIBMBQFPJHTO-LJQANCHMSA-N 1 1 365.473 4.553 50 0 FJAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000017316061 570749228 /nfs/dbraw/zinc/74/92/28/570749228.db2.gz SKPPCTCAXAOXPN-HNNXBMFYSA-N 1 1 369.459 4.986 50 0 FJAAMO Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012627265 570754267 /nfs/dbraw/zinc/75/42/67/570754267.db2.gz VYRNCWRSFDJLPI-SFHVURJKSA-N 1 1 351.494 4.733 50 0 FJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702482 570756933 /nfs/dbraw/zinc/75/69/33/570756933.db2.gz JYPRTEYNYRBMSX-SFHVURJKSA-N 1 1 373.928 4.829 50 0 FJAAMO Cc1cccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012980337 570770112 /nfs/dbraw/zinc/77/01/12/570770112.db2.gz USKZEDKVFICUFF-HXUWFJFHSA-N 1 1 354.450 4.513 50 0 FJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987344 570770856 /nfs/dbraw/zinc/77/08/56/570770856.db2.gz NIYSMEOVXITJQH-NRFANRHFSA-N 1 1 366.505 4.868 50 0 FJAAMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000013720285 570786480 /nfs/dbraw/zinc/78/64/80/570786480.db2.gz ALMXIUSLRTULSE-UHFFFAOYSA-N 1 1 363.457 4.573 50 0 FJAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+](C)Cc3ccsc3)ccc2c1 ZINC000015073083 570831572 /nfs/dbraw/zinc/83/15/72/570831572.db2.gz GBVYRULRZREDQQ-UHFFFAOYSA-N 1 1 363.486 4.932 50 0 FJAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015078042 570832632 /nfs/dbraw/zinc/83/26/32/570832632.db2.gz ODSUTFDTVRYVDY-MRXNPFEDSA-N 1 1 352.865 4.916 50 0 FJAAMO Cc1cccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000015100387 570833526 /nfs/dbraw/zinc/83/35/26/570833526.db2.gz URPQDWKJXQLKOA-UHFFFAOYSA-N 1 1 371.864 4.574 50 0 FJAAMO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000015300668 570836708 /nfs/dbraw/zinc/83/67/08/570836708.db2.gz CTCKJWMJXGRJIJ-FQEVSTJZSA-N 1 1 363.461 4.645 50 0 FJAAMO CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000015300668 570836711 /nfs/dbraw/zinc/83/67/11/570836711.db2.gz CTCKJWMJXGRJIJ-FQEVSTJZSA-N 1 1 363.461 4.645 50 0 FJAAMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000015831672 570844326 /nfs/dbraw/zinc/84/43/26/570844326.db2.gz BJHUQASACBUWIL-QGZVFWFLSA-N 1 1 366.461 4.518 50 0 FJAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)[NH+]2CCCC2)o1 ZINC000015860468 570846534 /nfs/dbraw/zinc/84/65/34/570846534.db2.gz JCOISPIYCJYNJQ-SFHVURJKSA-N 1 1 366.461 4.518 50 0 FJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2)[C@H](C)C(C)C)n1 ZINC000104960581 570865091 /nfs/dbraw/zinc/86/50/91/570865091.db2.gz KMQSBKDLDBZHLD-QZTJIDSGSA-N 1 1 371.525 4.558 50 0 FJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2)[C@H](C)C(C)C)n1 ZINC000104960581 570865094 /nfs/dbraw/zinc/86/50/94/570865094.db2.gz KMQSBKDLDBZHLD-QZTJIDSGSA-N 1 1 371.525 4.558 50 0 FJAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000105714110 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Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC000003058503 571344355 /nfs/dbraw/zinc/34/43/55/571344355.db2.gz QEAUHCJOBJHELZ-UHFFFAOYSA-N 1 1 359.583 4.729 50 0 FJAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000003303529 571346985 /nfs/dbraw/zinc/34/69/85/571346985.db2.gz VVLRHHWLHILNTA-MGPUTAFESA-N 1 1 372.896 4.760 50 0 FJAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003583343 571351331 /nfs/dbraw/zinc/35/13/31/571351331.db2.gz YRHMYVOAPRYBSL-OAHLLOKOSA-N 1 1 358.869 4.945 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003583343 571351332 /nfs/dbraw/zinc/35/13/32/571351332.db2.gz YRHMYVOAPRYBSL-OAHLLOKOSA-N 1 1 358.869 4.945 50 0 FJAAMO Cc1ccc(COC(CN2CCCCCC2)C[NH+]2CCCCCC2)cc1 ZINC000000856540 219331972 /nfs/dbraw/zinc/33/19/72/219331972.db2.gz GTCGHKXOBABHCP-UHFFFAOYSA-N 1 1 358.570 4.632 50 0 FJAAMO CC(C)c1nnc(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000049377113 209334221 /nfs/dbraw/zinc/33/42/21/209334221.db2.gz DVOGPUCPILCNAO-UHFFFAOYSA-N 1 1 353.388 4.591 50 0 FJAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@@H]2c2c(C)noc2C)n1 ZINC000097347505 209178123 /nfs/dbraw/zinc/17/81/23/209178123.db2.gz VNFQJXHVGXDRAZ-HXUWFJFHSA-N 1 1 368.456 4.570 50 0 FJAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012761408 220025416 /nfs/dbraw/zinc/02/54/16/220025416.db2.gz BEKYWIQELIMHPI-GOSISDBHSA-N 1 1 372.509 4.666 50 0 FJAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759949 220026286 /nfs/dbraw/zinc/02/62/86/220026286.db2.gz OVFZPLNLYLGCGN-OAHLLOKOSA-N 1 1 370.905 4.559 50 0 FJAAMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992691 220049481 /nfs/dbraw/zinc/04/94/81/220049481.db2.gz YETOIUREXXRDSP-IRXDYDNUSA-N 1 1 364.464 4.677 50 0 FJAAMO Cc1sc2ncnc(NC[C@@H](c3ccccc3Cl)[NH+](C)C)c2c1C ZINC000013069913 220055802 /nfs/dbraw/zinc/05/58/02/220055802.db2.gz VRMSDHJBEJHCGK-HNNXBMFYSA-N 1 1 360.914 4.676 50 0 FJAAMO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3OC)o2)cc1Cl ZINC000013720679 220089390 /nfs/dbraw/zinc/08/93/90/220089390.db2.gz YUZPQHRFNIISGZ-UHFFFAOYSA-N 1 1 357.837 4.907 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000015078297 220147029 /nfs/dbraw/zinc/14/70/29/220147029.db2.gz FBLGFDAEMRSPSU-FQEVSTJZSA-N 1 1 374.459 4.983 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000015078297 220147032 /nfs/dbraw/zinc/14/70/32/220147032.db2.gz FBLGFDAEMRSPSU-FQEVSTJZSA-N 1 1 374.459 4.983 50 0 FJAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCC[C@@H]1CO ZINC000015072488 220145695 /nfs/dbraw/zinc/14/56/95/220145695.db2.gz PNJICVHJGOOWOE-OAQYLSRUSA-N 1 1 362.473 4.664 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016339275 220182552 /nfs/dbraw/zinc/18/25/52/220182552.db2.gz XONUZQHUCVVROD-SFHVURJKSA-N 1 1 369.852 4.736 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016339275 220182554 /nfs/dbraw/zinc/18/25/54/220182554.db2.gz 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ZINC000007856298 207209651 /nfs/dbraw/zinc/20/96/51/207209651.db2.gz LDVKIQCDCXTLDN-LJQANCHMSA-N 1 1 354.885 4.510 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007856298 207209654 /nfs/dbraw/zinc/20/96/54/207209654.db2.gz LDVKIQCDCXTLDN-LJQANCHMSA-N 1 1 354.885 4.510 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007856304 207210912 /nfs/dbraw/zinc/21/09/12/207210912.db2.gz LDVKIQCDCXTLDN-IBGZPJMESA-N 1 1 354.885 4.510 50 0 FJAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007856304 207210921 /nfs/dbraw/zinc/21/09/21/207210921.db2.gz LDVKIQCDCXTLDN-IBGZPJMESA-N 1 1 354.885 4.510 50 0 FJAAMO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[NH+]1CCCCCC1 ZINC000008134405 207220620 /nfs/dbraw/zinc/22/06/20/207220620.db2.gz WZKIQJPBYVYBCM-CQSZACIVSA-N 1 1 353.491 4.589 50 0 FJAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717532 207243840 /nfs/dbraw/zinc/24/38/40/207243840.db2.gz VCBJIRDVEMZHCI-SBUREZEXSA-N 1 1 367.537 4.715 50 0 FJAAMO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009047961 207255758 /nfs/dbraw/zinc/25/57/58/207255758.db2.gz RMFAZFTWAHQVGA-INIZCTEOSA-N 1 1 372.852 4.555 50 0 FJAAMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063651 207256336 /nfs/dbraw/zinc/25/63/36/207256336.db2.gz MXCQUAFIKMSRPV-UHFFFAOYSA-N 1 1 374.887 4.947 50 0 FJAAMO Cc1cc(C)c(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000036847486 207299644 /nfs/dbraw/zinc/29/96/44/207299644.db2.gz CLQOWQIQBDGAFV-GJZGRUSLSA-N 1 1 353.963 4.506 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000011874291 207328037 /nfs/dbraw/zinc/32/80/37/207328037.db2.gz FHLGMVCRCMXFMI-QHCPKHFHSA-N 1 1 356.469 4.844 50 0 FJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)ccc2c1 ZINC000011932694 207329157 /nfs/dbraw/zinc/32/91/57/207329157.db2.gz XXLDPDOCCFMHIA-NRFANRHFSA-N 1 1 374.484 4.647 50 0 FJAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+](CCO)C(C)C ZINC000012315418 207359917 /nfs/dbraw/zinc/35/99/17/207359917.db2.gz CHVWMSPMCIIYOG-UHFFFAOYSA-N 1 1 350.462 4.520 50 0 FJAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1c(F)cccc1F ZINC000012550812 207391564 /nfs/dbraw/zinc/39/15/64/207391564.db2.gz XJMHZPQCKCYGIM-OAHLLOKOSA-N 1 1 373.447 4.640 50 0 FJAAMO C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032904219 208054312 /nfs/dbraw/zinc/05/43/12/208054312.db2.gz OXOXYDWEGJJKNN-SFHVURJKSA-N 1 1 366.505 4.857 50 0 FJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c(OC)c1OC ZINC000033087129 208070239 /nfs/dbraw/zinc/07/02/39/208070239.db2.gz MCIQPSSBCJNNFP-INIZCTEOSA-N 1 1 361.507 4.891 50 0 FJAAMO COC(=O)CC1=CC(SCc2ccccc2F)=[NH+]c2ccccc2N1 ZINC000035480687 208125664 /nfs/dbraw/zinc/12/56/64/208125664.db2.gz BKBMQIHABVXWLA-UHFFFAOYSA-N 1 1 356.422 4.662 50 0 FJAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805220 208134648 /nfs/dbraw/zinc/13/46/48/208134648.db2.gz RDSHOQFPXWAROE-INIZCTEOSA-N 1 1 352.400 4.539 50 0 FJAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805220 208134655 /nfs/dbraw/zinc/13/46/55/208134655.db2.gz RDSHOQFPXWAROE-INIZCTEOSA-N 1 1 352.400 4.539 50 0 FJAAMO CCC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000035840767 208136841 /nfs/dbraw/zinc/13/68/41/208136841.db2.gz PZBBGTKGCHJIBX-QHCPKHFHSA-N 1 1 356.554 4.854 50 0 FJAAMO CC(C)CC[N@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031915 208140684 /nfs/dbraw/zinc/14/06/84/208140684.db2.gz MTYGVOWCWWPKFH-GOSISDBHSA-N 1 1 367.942 4.690 50 0 FJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1O ZINC000036348728 208155688 /nfs/dbraw/zinc/15/56/88/208155688.db2.gz UPKMJYQGRIKSPR-QHCPKHFHSA-N 1 1 362.473 4.506 50 0 FJAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347631 208155989 /nfs/dbraw/zinc/15/59/89/208155989.db2.gz SHZSFNSAAVEIKZ-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347631 208155999 /nfs/dbraw/zinc/15/59/99/208155999.db2.gz SHZSFNSAAVEIKZ-JOCHJYFZSA-N 1 1 350.437 4.631 50 0 FJAAMO CN(C)CCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040720353 208264061 /nfs/dbraw/zinc/26/40/61/208264061.db2.gz QAFJYOZZXLIDBE-UHFFFAOYSA-N 1 1 367.320 4.614 50 0 FJAAMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)c(F)c1 ZINC000020537961 220332333 /nfs/dbraw/zinc/33/23/33/220332333.db2.gz YPIWUIARUWROAQ-HOTGVXAUSA-N 1 1 358.457 4.810 50 0 FJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000020776152 220341741 /nfs/dbraw/zinc/34/17/41/220341741.db2.gz ZKGLCGRMRGEAMN-ZDUSSCGKSA-N 1 1 359.445 4.796 50 0 FJAAMO CC(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000020856731 220343271 /nfs/dbraw/zinc/34/32/71/220343271.db2.gz NUVDKAIHOWIXET-HNNXBMFYSA-N 1 1 351.416 4.931 50 0 FJAAMO c1c2ccccc2oc1C[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065397834 208673297 /nfs/dbraw/zinc/67/32/97/208673297.db2.gz KSXDUZCJBWHKEZ-FQEVSTJZSA-N 1 1 355.441 4.879 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)no1 ZINC000021720025 220364207 /nfs/dbraw/zinc/36/42/07/220364207.db2.gz ZAEPCRBZFNLTSF-OAQYLSRUSA-N 1 1 364.493 4.971 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)no1 ZINC000021720025 220364212 /nfs/dbraw/zinc/36/42/12/220364212.db2.gz ZAEPCRBZFNLTSF-OAQYLSRUSA-N 1 1 364.493 4.971 50 0 FJAAMO COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CO)oc(C)c2-c1ccccc1 ZINC000022077701 220377033 /nfs/dbraw/zinc/37/70/33/220377033.db2.gz VXAVILQUDIBJRH-IBGZPJMESA-N 1 1 365.473 4.764 50 0 FJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1OC(F)F ZINC000095453813 209053026 /nfs/dbraw/zinc/05/30/26/209053026.db2.gz YLSXNIZXOIVXGZ-KRWDZBQOSA-N 1 1 362.420 4.809 50 0 FJAAMO CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H](C)c1cccc(OC)c1 ZINC000048355206 221010453 /nfs/dbraw/zinc/01/04/53/221010453.db2.gz AMIIQQIXPIPHMQ-MRXNPFEDSA-N 1 1 366.461 4.942 50 0 FJAAMO CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H](C)c1cccc(OC)c1 ZINC000048355206 221010457 /nfs/dbraw/zinc/01/04/57/221010457.db2.gz AMIIQQIXPIPHMQ-MRXNPFEDSA-N 1 1 366.461 4.942 50 0 FJAAMO Cc1c(=O)[nH]c(-c2ccccc2C[N@H+](C)CCC(C)C)nc1C(F)(F)F ZINC000048194570 221000907 /nfs/dbraw/zinc/00/09/07/221000907.db2.gz UGODATRATNHSNP-UHFFFAOYSA-N 1 1 367.415 4.654 50 0 FJAAMO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049609445 221026233 /nfs/dbraw/zinc/02/62/33/221026233.db2.gz UGTKYEHOIILAOZ-CYBMUJFWSA-N 1 1 363.848 4.581 50 0 FJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(F)cc1)[NH2+]C2 ZINC000055028087 221057348 /nfs/dbraw/zinc/05/73/48/221057348.db2.gz HFEAFVSCMHIRPR-JOCHJYFZSA-N 1 1 366.436 4.606 50 0 FJAAMO Cc1nc2scc(-c3cccs3)c2c(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000058183241 221104322 /nfs/dbraw/zinc/10/43/22/221104322.db2.gz XQOFBOMYPJCWMF-CQSZACIVSA-N 1 1 372.563 4.870 50 0 FJAAMO C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000057478077 221089772 /nfs/dbraw/zinc/08/97/72/221089772.db2.gz FXULDBYEVHDMRQ-YJYMSZOUSA-N 1 1 372.440 4.733 50 0 FJAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000057607698 221091784 /nfs/dbraw/zinc/09/17/84/221091784.db2.gz KPNOVXWPTNXBKH-BFUOFWGJSA-N 1 1 372.440 4.733 50 0 FJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000057802901 221094093 /nfs/dbraw/zinc/09/40/93/221094093.db2.gz PDNQTYBOKVXAFG-NRFANRHFSA-N 1 1 350.487 4.628 50 0 FJAAMO Cc1cccc(OCC[N@@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058290664 221112604 /nfs/dbraw/zinc/11/26/04/221112604.db2.gz PLUGFASOYPNRBM-OAHLLOKOSA-N 1 1 371.868 4.770 50 0 FJAAMO Cc1cccc(OCC[N@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058290664 221112606 /nfs/dbraw/zinc/11/26/06/221112606.db2.gz PLUGFASOYPNRBM-OAHLLOKOSA-N 1 1 371.868 4.770 50 0 FJAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000058820400 221122835 /nfs/dbraw/zinc/12/28/35/221122835.db2.gz JSCQPVGBIBATSH-UHFFFAOYSA-N 1 1 370.924 4.528 50 0 FJAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000064984476 221161960 /nfs/dbraw/zinc/16/19/60/221161960.db2.gz LGHNXKRRQKJCKX-SFHVURJKSA-N 1 1 358.482 4.931 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000064984476 221161961 /nfs/dbraw/zinc/16/19/61/221161961.db2.gz LGHNXKRRQKJCKX-SFHVURJKSA-N 1 1 358.482 4.931 50 0 FJAAMO Cc1nc[nH]c1C[N@H+]1CC[C@@H](c2ccnc(-c3c[nH]c4c3cccc4C)c2)C1 ZINC000065373052 221205494 /nfs/dbraw/zinc/20/54/94/221205494.db2.gz QYTSPDYUBPSEHX-GOSISDBHSA-N 1 1 371.488 4.559 50 0 FJAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1cccc2ccccc21 ZINC000065516133 221230125 /nfs/dbraw/zinc/23/01/25/221230125.db2.gz FLHKNVFAKMLPEE-UHFFFAOYSA-N 1 1 356.429 4.656 50 0 FJAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000070016988 221330392 /nfs/dbraw/zinc/33/03/92/221330392.db2.gz ZSIIOLCRFLSNJD-HNNXBMFYSA-N 1 1 351.277 4.604 50 0 FJAAMO COc1ccc2cc([C@@H]3C[N@H+](Cc4cc5ccccc5[nH]4)CCO3)ccc2c1 ZINC000071761556 221368546 /nfs/dbraw/zinc/36/85/46/221368546.db2.gz ZLHLROSXHHHFQA-DEOSSOPVSA-N 1 1 372.468 4.903 50 0 FJAAMO COc1ccc2cc([C@@H]3C[N@@H+](Cc4cc5ccccc5[nH]4)CCO3)ccc2c1 ZINC000071761556 221368550 /nfs/dbraw/zinc/36/85/50/221368550.db2.gz ZLHLROSXHHHFQA-DEOSSOPVSA-N 1 1 372.468 4.903 50 0 FJAAMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000007492994 132259256 /nfs/dbraw/zinc/25/92/56/132259256.db2.gz IEHORJFLOKBLQO-UHFFFAOYSA-N 1 1 350.506 4.509 50 0 FJAAMO C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCN(c2ccccc2)CC1 ZINC000225519244 132285158 /nfs/dbraw/zinc/28/51/58/132285158.db2.gz NZCVFCFAXNIISW-UHFFFAOYSA-N 1 1 365.452 4.582 50 0 FJAAMO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000055543826 136127072 /nfs/dbraw/zinc/12/70/72/136127072.db2.gz VGRFZFTYCMNQSE-UHFFFAOYSA-N 1 1 354.803 4.681 50 0 FJAAMO O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000071873531 136141376 /nfs/dbraw/zinc/14/13/76/136141376.db2.gz PKOWMPRFJGLTMF-OAHLLOKOSA-N 1 1 365.864 4.743 50 0 FJAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000023486793 136152872 /nfs/dbraw/zinc/15/28/72/136152872.db2.gz QMVDYCYXQNDXFB-QFIPXVFZSA-N 1 1 363.892 4.647 50 0 FJAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCc2[nH]nc(-c3c(C)noc3C)c2C1 ZINC000019850660 519403625 /nfs/dbraw/zinc/40/36/25/519403625.db2.gz JPCACRHFBJQKBI-OQLLNIDSSA-N 1 1 354.498 4.732 50 0 FJAAMO CCN(Cc1ccsc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000020455930 521425853 /nfs/dbraw/zinc/42/58/53/521425853.db2.gz GKDRDQFBAIXGIS-FQEVSTJZSA-N 1 1 372.578 4.533 50 0 FJAAMO CCN(Cc1ccsc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000020455930 521425856 /nfs/dbraw/zinc/42/58/56/521425856.db2.gz GKDRDQFBAIXGIS-FQEVSTJZSA-N 1 1 372.578 4.533 50 0 FJAAMO c1ccc(CN2CC[NH+](CCOc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019891650 526470665 /nfs/dbraw/zinc/47/06/65/526470665.db2.gz IKBSUJSLCUTAQX-UHFFFAOYSA-N 1 1 372.512 4.550 50 0 FJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020203302 526751908 /nfs/dbraw/zinc/75/19/08/526751908.db2.gz ZINILCAHPHYAPU-INIZCTEOSA-N 1 1 363.379 4.506 50 0 FJAAMO FC(F)(F)c1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239274879 527681987 /nfs/dbraw/zinc/68/19/87/527681987.db2.gz AVAXCWYVNPJHNB-VQTJNVASSA-N 1 1 366.471 4.934 50 0 FJAAMO CCn1cc[nH+]c1[C@@H]1CCCN(c2nc3c(C)ccc(F)c3cc2C)C1 ZINC000091643462 536118798 /nfs/dbraw/zinc/11/87/98/536118798.db2.gz OVTKHPNTGHVXKX-MRXNPFEDSA-N 1 1 352.457 4.591 50 0 FJAAMO COc1cccc2c(C)cc(N3CCC[C@@H](c4[nH+]ccn4C(C)C)C3)nc12 ZINC000095374752 536930953 /nfs/dbraw/zinc/93/09/53/536930953.db2.gz HMHYKDUVLYDRCG-QGZVFWFLSA-N 1 1 364.493 4.713 50 0 FJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000216184725 568110551 /nfs/dbraw/zinc/11/05/51/568110551.db2.gz ZPNSOHUNLGXFFF-HZPDHXFCSA-N 1 1 357.448 4.891 50 0 FJAAMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000022776746 568308736 /nfs/dbraw/zinc/30/87/36/568308736.db2.gz AXJOWSISVBDEQB-LLVKDONJSA-N 1 1 370.276 4.870 50 0 FJAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000001447582 570500716 /nfs/dbraw/zinc/50/07/16/570500716.db2.gz FYTIXKYKTCFXFY-KRWDZBQOSA-N 1 1 372.472 4.843 50 0 FJAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515310 570523693 /nfs/dbraw/zinc/52/36/93/570523693.db2.gz VHBPWSWQRXCDPU-UHFFFAOYSA-N 1 1 366.313 4.773 50 0 FJAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@@H](O)C(C)C ZINC000004875955 570553447 /nfs/dbraw/zinc/55/34/47/570553447.db2.gz CIJMCUOJDVHAIH-JOCHJYFZSA-N 1 1 360.517 4.541 50 0 FJAAMO O=c1c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)coc2ccc(Cl)cc12 ZINC000004985839 570616085 /nfs/dbraw/zinc/61/60/85/570616085.db2.gz WELKTNAIUMDTDT-UHFFFAOYSA-N 1 1 369.823 4.875 50 0 FJAAMO O=c1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)coc2ccc(Cl)cc12 ZINC000004985839 570616088 /nfs/dbraw/zinc/61/60/88/570616088.db2.gz WELKTNAIUMDTDT-UHFFFAOYSA-N 1 1 369.823 4.875 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573341 570616818 /nfs/dbraw/zinc/61/68/18/570616818.db2.gz XNPWYUNDMVUINS-QGZVFWFLSA-N 1 1 373.500 4.534 50 0 FJAAMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1 ZINC000004998079 570617035 /nfs/dbraw/zinc/61/70/35/570617035.db2.gz PPIHZXREZXRDGU-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccc(Cl)cc1 ZINC000007276373 570662393 /nfs/dbraw/zinc/66/23/93/570662393.db2.gz CBNYKZKZVIKFLM-UHFFFAOYSA-N 1 1 368.864 4.612 50 0 FJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1F ZINC000011705341 570705626 /nfs/dbraw/zinc/70/56/26/570705626.db2.gz IYOFTROSBVRMBB-MRXNPFEDSA-N 1 1 373.493 4.651 50 0 FJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1F ZINC000011705341 570705628 /nfs/dbraw/zinc/70/56/28/570705628.db2.gz IYOFTROSBVRMBB-MRXNPFEDSA-N 1 1 373.493 4.651 50 0 FJAAMO CC[N@H+](Cc1ccc(C)o1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011719318 570706217 /nfs/dbraw/zinc/70/62/17/570706217.db2.gz HVUNNAAGILCBDO-FQEVSTJZSA-N 1 1 358.501 4.504 50 0 FJAAMO CCN(Cc1ccc(C)o1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011719318 570706219 /nfs/dbraw/zinc/70/62/19/570706219.db2.gz HVUNNAAGILCBDO-FQEVSTJZSA-N 1 1 358.501 4.504 50 0 FJAAMO CCN(Cc1ccc(C)o1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011719318 570706223 /nfs/dbraw/zinc/70/62/23/570706223.db2.gz HVUNNAAGILCBDO-FQEVSTJZSA-N 1 1 358.501 4.504 50 0 FJAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000011821048 570708964 /nfs/dbraw/zinc/70/89/64/570708964.db2.gz PFXZMWWSACIWJI-LJQANCHMSA-N 1 1 350.506 4.782 50 0 FJAAMO Cc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 ZINC000011842276 570709357 /nfs/dbraw/zinc/70/93/57/570709357.db2.gz GNNMLMBTXJVXTH-CQSZACIVSA-N 1 1 368.433 4.516 50 0 FJAAMO Cc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 ZINC000011842276 570709359 /nfs/dbraw/zinc/70/93/59/570709359.db2.gz GNNMLMBTXJVXTH-CQSZACIVSA-N 1 1 368.433 4.516 50 0 FJAAMO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(F)cc3Cl)c2C)cc1 ZINC000012075022 570716606 /nfs/dbraw/zinc/71/66/06/570716606.db2.gz FVFSFMWIYPLFKU-ZDUSSCGKSA-N 1 1 373.859 4.833 50 0 FJAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O ZINC000012073400 570716653 /nfs/dbraw/zinc/71/66/53/570716653.db2.gz UBZVNRRYVNPENZ-KRWDZBQOSA-N 1 1 373.880 4.539 50 0 FJAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012437715 570745122 /nfs/dbraw/zinc/74/51/22/570745122.db2.gz HBJGKNBCHGRSOA-LJQANCHMSA-N 1 1 364.876 4.983 50 0 FJAAMO Cc1sc2ncnc(NC[C@H](c3ccccc3Cl)[NH+](C)C)c2c1C ZINC000013069915 570773289 /nfs/dbraw/zinc/77/32/89/570773289.db2.gz VRMSDHJBEJHCGK-OAHLLOKOSA-N 1 1 360.914 4.676 50 0 FJAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000013758772 570789438 /nfs/dbraw/zinc/78/94/38/570789438.db2.gz KDSGEFWXLQJWCW-WWPVKYPJSA-N 1 1 369.480 4.703 50 0 FJAAMO O=C(c1ccccc1Cl)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032756944 570794259 /nfs/dbraw/zinc/79/42/59/570794259.db2.gz PYPGHRSFSWGLIH-UHFFFAOYSA-N 1 1 370.905 4.513 50 0 FJAAMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(F)cc2cccnc21 ZINC000032825182 570816574 /nfs/dbraw/zinc/81/65/74/570816574.db2.gz NZYLJBMDVTWDHI-UHFFFAOYSA-N 1 1 365.452 4.533 50 0 FJAAMO CC(=O)c1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cs1 ZINC000014956209 570826824 /nfs/dbraw/zinc/82/68/24/570826824.db2.gz USIIDLYUPMDITC-UHFFFAOYSA-N 1 1 371.546 4.548 50 0 FJAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1C ZINC000014972966 570827365 /nfs/dbraw/zinc/82/73/65/570827365.db2.gz NGCKLWRBBJFDMQ-QGZVFWFLSA-N 1 1 373.928 4.658 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000015078296 570832460 /nfs/dbraw/zinc/83/24/60/570832460.db2.gz FBLGFDAEMRSPSU-HXUWFJFHSA-N 1 1 374.459 4.983 50 0 FJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000015078296 570832461 /nfs/dbraw/zinc/83/24/61/570832461.db2.gz FBLGFDAEMRSPSU-HXUWFJFHSA-N 1 1 374.459 4.983 50 0 FJAAMO CCN(Cc1nc2ccccc2s1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197790 570881145 /nfs/dbraw/zinc/88/11/45/570881145.db2.gz FGWKVWAHBHICAB-PKOBYXMFSA-N 1 1 365.546 4.954 50 0 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Fc1ccccc1[C@@H]([NH2+]C1CCCCC1)c1nnc(-c2ccccc2)o1 ZINC000020852674 220343195 /nfs/dbraw/zinc/34/31/95/220343195.db2.gz XVQYSFHUJKQYJT-LJQANCHMSA-N 1 1 351.425 4.887 50 0 FJAAMO CCOc1ccc(C(=O)c2c[nH+]c3ccc(C)cc3c2N2CCCC2)cc1 ZINC000021158434 220354072 /nfs/dbraw/zinc/35/40/72/220354072.db2.gz BKRUYGGXHKMEAN-UHFFFAOYSA-N 1 1 360.457 4.773 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720059 220364543 /nfs/dbraw/zinc/36/45/43/220364543.db2.gz VUPBZBGLVANPCP-HXUWFJFHSA-N 1 1 350.466 4.663 50 0 FJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720059 220364546 /nfs/dbraw/zinc/36/45/46/220364546.db2.gz VUPBZBGLVANPCP-HXUWFJFHSA-N 1 1 350.466 4.663 50 0 FJAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720057 220364697 /nfs/dbraw/zinc/36/46/97/220364697.db2.gz VUPBZBGLVANPCP-FQEVSTJZSA-N 1 1 350.466 4.663 50 0 FJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720057 220364699 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O=C(NC1CCCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020136966 570911053 /nfs/dbraw/zinc/91/10/53/570911053.db2.gz JENGUUDAHAOGLC-UHFFFAOYSA-N 1 1 362.517 4.698 50 0 FJAAMO Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)n2)c1 ZINC000020598246 570920350 /nfs/dbraw/zinc/92/03/50/570920350.db2.gz ILJWZMYJAWUNOA-QGZVFWFLSA-N 1 1 353.853 4.770 50 0 FJAAMO Fc1cc(F)cc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864912 570926179 /nfs/dbraw/zinc/92/61/79/570926179.db2.gz MKYCJQXVPZANGJ-IBGZPJMESA-N 1 1 356.441 4.888 50 0 FJAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021719947 570933526 /nfs/dbraw/zinc/93/35/26/570933526.db2.gz KSPHCDDVGJOSBO-SFHVURJKSA-N 1 1 358.482 4.814 50 0 FJAAMO CN(C)CC[N@H+](Cc1ccccc1)CC(c1ccccc1)c1ccccc1 ZINC000022027669 570937591 /nfs/dbraw/zinc/93/75/91/570937591.db2.gz WDZRVHOEEFBQOV-UHFFFAOYSA-N 1 1 358.529 4.882 50 0 FJAAMO CC[N@@H+]1CCC[C@H]1CNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022936054 570953745 /nfs/dbraw/zinc/95/37/45/570953745.db2.gz 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ZINC000024431850 570975846 /nfs/dbraw/zinc/97/58/46/570975846.db2.gz POJGLXXCWKRIIJ-HXUWFJFHSA-N 1 1 352.409 4.826 50 0 FJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000024431850 570975850 /nfs/dbraw/zinc/97/58/50/570975850.db2.gz POJGLXXCWKRIIJ-HXUWFJFHSA-N 1 1 352.409 4.826 50 0 FJAAMO C[N@@H+](CCOc1ccccc1)Cc1c(-c2ccccc2)nc2sccn12 ZINC000025139215 570991397 /nfs/dbraw/zinc/99/13/97/570991397.db2.gz NBNHSAHLHLZGTP-UHFFFAOYSA-N 1 1 363.486 4.574 50 0 FJAAMO COc1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc(Cl)c1OC ZINC000025363844 570995063 /nfs/dbraw/zinc/99/50/63/570995063.db2.gz DJIBRORDIZAOKV-HXUWFJFHSA-N 1 1 368.864 4.631 50 0 FJAAMO Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663722 571017542 /nfs/dbraw/zinc/01/75/42/571017542.db2.gz BPTQOTLPZCKXBR-HXUWFJFHSA-N 1 1 356.897 4.605 50 0 FJAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782634 571021123 /nfs/dbraw/zinc/02/11/23/571021123.db2.gz GTISVVVUIWFVSP-BZSISCHUSA-N 1 1 351.494 4.946 50 0 FJAAMO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000083825700 571051543 /nfs/dbraw/zinc/05/15/43/571051543.db2.gz JZVCCBCXJOFARS-PGRDOPGGSA-N 1 1 365.521 4.623 50 0 FJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717368 571057172 /nfs/dbraw/zinc/05/71/72/571057172.db2.gz OHEYTYLJKWSRBY-QGZVFWFLSA-N 1 1 355.526 4.860 50 0 FJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000033087257 571062510 /nfs/dbraw/zinc/06/25/10/571062510.db2.gz KUTYQXGHOOTIAF-HXUWFJFHSA-N 1 1 355.478 4.830 50 0 FJAAMO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCc2ccccc21 ZINC000040049904 571069832 /nfs/dbraw/zinc/06/98/32/571069832.db2.gz QFIXLLPQKINZPN-KRWDZBQOSA-N 1 1 373.378 4.875 50 0 FJAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCc2ccccc21 ZINC000040049904 571069837 /nfs/dbraw/zinc/06/98/37/571069837.db2.gz QFIXLLPQKINZPN-KRWDZBQOSA-N 1 1 373.378 4.875 50 0 FJAAMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](c4ccccc4)C3)n2)cc1F ZINC000084185405 571078242 /nfs/dbraw/zinc/07/82/42/571078242.db2.gz YZVTXPZIXDSYOV-IBGZPJMESA-N 1 1 365.452 4.606 50 0 FJAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759954 571078505 /nfs/dbraw/zinc/07/85/05/571078505.db2.gz OVFZPLNLYLGCGN-HNNXBMFYSA-N 1 1 370.905 4.559 50 0 FJAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805217 571078728 /nfs/dbraw/zinc/07/87/28/571078728.db2.gz RDSHOQFPXWAROE-MRXNPFEDSA-N 1 1 352.400 4.539 50 0 FJAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805217 571078730 /nfs/dbraw/zinc/07/87/30/571078730.db2.gz RDSHOQFPXWAROE-MRXNPFEDSA-N 1 1 352.400 4.539 50 0 FJAAMO Cc1oc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000040112347 571079396 /nfs/dbraw/zinc/07/93/96/571079396.db2.gz TUSOMGPHITXIJE-HNNXBMFYSA-N 1 1 354.494 4.509 50 0 FJAAMO O=C([C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1)N1CCCCC1 ZINC000084519354 571087867 /nfs/dbraw/zinc/08/78/67/571087867.db2.gz PWZJKCOWPHNWTN-RTWAWAEBSA-N 1 1 368.908 4.671 50 0 FJAAMO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccccn2)o1 ZINC000040721936 571092689 /nfs/dbraw/zinc/09/26/89/571092689.db2.gz YYLKAJNMMMUYBX-UHFFFAOYSA-N 1 1 357.251 4.702 50 0 FJAAMO Cc1cc(C)c(NC(=S)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000245224733 571094606 /nfs/dbraw/zinc/09/46/06/571094606.db2.gz CLQOWQIQBDGAFV-HUUCEWRRSA-N 1 1 353.963 4.506 50 0 FJAAMO S=c1sc(NCc2ccccc2)nn1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000229979093 571095749 /nfs/dbraw/zinc/09/57/49/571095749.db2.gz AIBGTLFHWPJRNK-IAGOWNOFSA-N 1 1 374.579 4.898 50 0 FJAAMO S=c1sc(NCc2ccccc2)nn1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000229979093 571095753 /nfs/dbraw/zinc/09/57/53/571095753.db2.gz AIBGTLFHWPJRNK-IAGOWNOFSA-N 1 1 374.579 4.898 50 0 FJAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)c1 ZINC000069583247 571099599 /nfs/dbraw/zinc/09/95/99/571099599.db2.gz UIRHQKUWLCQHJJ-QFIPXVFZSA-N 1 1 360.457 4.507 50 0 FJAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)c1 ZINC000069583247 571099603 /nfs/dbraw/zinc/09/96/03/571099603.db2.gz UIRHQKUWLCQHJJ-QFIPXVFZSA-N 1 1 360.457 4.507 50 0 FJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](C2CCCC2)C3)cc1 ZINC000015001522 571107910 /nfs/dbraw/zinc/10/79/10/571107910.db2.gz YWTRKDGYBHCOTG-UHFFFAOYSA-N 1 1 353.462 4.508 50 0 FJAAMO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1Cl ZINC000009458940 571109957 /nfs/dbraw/zinc/10/99/57/571109957.db2.gz YQBKOPXJRBMNEK-NSHDSACASA-N 1 1 357.306 4.995 50 0 FJAAMO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1Cl ZINC000009458940 571109960 /nfs/dbraw/zinc/10/99/60/571109960.db2.gz YQBKOPXJRBMNEK-NSHDSACASA-N 1 1 357.306 4.995 50 0 FJAAMO COc1ccc(C(=O)c2c[nH+]c3ccccc3c2N2CCCCCC2)cc1 ZINC000036102781 571111886 /nfs/dbraw/zinc/11/18/86/571111886.db2.gz OHFQFOLSSQZGNF-UHFFFAOYSA-N 1 1 360.457 4.855 50 0 FJAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccccc1F)N1CCCCC1 ZINC000072328447 571112564 /nfs/dbraw/zinc/11/25/64/571112564.db2.gz JMNUSKUFKJQBRV-UHFFFAOYSA-N 1 1 363.436 4.612 50 0 FJAAMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000033040095 571114938 /nfs/dbraw/zinc/11/49/38/571114938.db2.gz YEVCEJYBVQHVAO-ZDUSSCGKSA-N 1 1 363.848 4.581 50 0 FJAAMO c1cnn(-c2ccc(C[N@@H+](Cc3ccsc3)Cc3cccnc3)cc2)c1 ZINC000055393708 571120354 /nfs/dbraw/zinc/12/03/54/571120354.db2.gz MAVTTXPQPKJHRT-UHFFFAOYSA-N 1 1 360.486 4.531 50 0 FJAAMO c1cnn(-c2ccc(C[N@H+](Cc3ccsc3)Cc3cccnc3)cc2)c1 ZINC000055393708 571120358 /nfs/dbraw/zinc/12/03/58/571120358.db2.gz MAVTTXPQPKJHRT-UHFFFAOYSA-N 1 1 360.486 4.531 50 0 FJAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000248020290 571127488 /nfs/dbraw/zinc/12/74/88/571127488.db2.gz UNNQDXMODLDYNT-PXDATVDWSA-N 1 1 359.513 4.885 50 0 FJAAMO CC[NH+](CC)CCCNCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248261653 571128764 /nfs/dbraw/zinc/12/87/64/571128764.db2.gz QXEKSIVRXHFCAI-UHFFFAOYSA-N 1 1 367.512 4.650 50 0 FJAAMO CCn1c(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)nc2cc(F)ccc21 ZINC000058296579 571130676 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Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668278 571156328 /nfs/dbraw/zinc/15/63/28/571156328.db2.gz VOALHWNWJTWPEC-GHTZIAJQSA-N 1 1 373.610 4.975 50 0 FJAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071750576 571165002 /nfs/dbraw/zinc/16/50/02/571165002.db2.gz JFZPWDDRDDXLAX-HNNXBMFYSA-N 1 1 361.432 4.524 50 0 FJAAMO CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071769307 571166259 /nfs/dbraw/zinc/16/62/59/571166259.db2.gz OKARETPOLGJSFX-WOJBJXKFSA-N 1 1 363.423 4.825 50 0 FJAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000072133633 571171454 /nfs/dbraw/zinc/17/14/54/571171454.db2.gz YJGIFVUWERZGNX-IBGZPJMESA-N 1 1 354.475 4.887 50 0 FJAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000072133633 571171455 /nfs/dbraw/zinc/17/14/55/571171455.db2.gz YJGIFVUWERZGNX-IBGZPJMESA-N 1 1 354.475 4.887 50 0 FJAAMO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000072137337 571171683 /nfs/dbraw/zinc/17/16/83/571171683.db2.gz KFEDJJDLOAMQAY-LJQANCHMSA-N 1 1 369.490 4.672 50 0 FJAAMO C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000072137337 571171684 /nfs/dbraw/zinc/17/16/84/571171684.db2.gz KFEDJJDLOAMQAY-LJQANCHMSA-N 1 1 369.490 4.672 50 0 FJAAMO COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000072162627 571176190 /nfs/dbraw/zinc/17/61/90/571176190.db2.gz FWTDAONVKRWIMG-SFHVURJKSA-N 1 1 351.475 4.551 50 0 FJAAMO CCCC(=O)Nc1cccc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000092127706 571198110 /nfs/dbraw/zinc/19/81/10/571198110.db2.gz RWBAPVOYCAHFIM-ICSRJNTNSA-N 1 1 365.521 4.981 50 0 FJAAMO Cc1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1 ZINC000054203683 571204009 /nfs/dbraw/zinc/20/40/09/571204009.db2.gz AQDCMXWKHDTEFX-ZDUSSCGKSA-N 1 1 369.465 4.694 50 0 FJAAMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000077405947 571210214 /nfs/dbraw/zinc/21/02/14/571210214.db2.gz CEZHKVHXIFAUAI-DEOSSOPVSA-N 1 1 361.485 4.764 50 0 FJAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000426420127 571222531 /nfs/dbraw/zinc/22/25/31/571222531.db2.gz OGAMFWZQDLBSCZ-UHFFFAOYSA-N 1 1 372.459 4.578 50 0 FJAAMO CC(=O)c1cccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624666 571237370 /nfs/dbraw/zinc/23/73/70/571237370.db2.gz RKUSPIIJEPLHLY-QFIPXVFZSA-N 1 1 352.478 4.670 50 0 FJAAMO C[N@@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@@H](c1ccccn1)C1CC1 ZINC000091254848 571238552 /nfs/dbraw/zinc/23/85/52/571238552.db2.gz LXVMZOMXCUBTBF-HXUWFJFHSA-N 1 1 353.853 4.572 50 0 FJAAMO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)n1 ZINC000036063919 571239958 /nfs/dbraw/zinc/23/99/58/571239958.db2.gz KMQSBKDLDBZHLD-ROUUACIJSA-N 1 1 371.525 4.558 50 0 FJAAMO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)n1 ZINC000036063919 571239959 /nfs/dbraw/zinc/23/99/59/571239959.db2.gz KMQSBKDLDBZHLD-ROUUACIJSA-N 1 1 371.525 4.558 50 0 FJAAMO Fc1cccc(Cl)c1C[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091745749 571243197 /nfs/dbraw/zinc/24/31/97/571243197.db2.gz JNEMHHWPZJJRQD-UHFFFAOYSA-N 1 1 361.892 4.855 50 0 FJAAMO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006725020 571243812 /nfs/dbraw/zinc/24/38/12/571243812.db2.gz SQBIWQXZWMPRCU-HYFFOGBASA-N 1 1 350.506 4.961 50 0 FJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1OC ZINC000036347922 571249098 /nfs/dbraw/zinc/24/90/98/571249098.db2.gz GNTRNLFNBLSYAO-JOCHJYFZSA-N 1 1 362.473 4.501 50 0 FJAAMO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000036392977 571252852 /nfs/dbraw/zinc/25/28/52/571252852.db2.gz CKFRHJHSNKIGLB-GOSISDBHSA-N 1 1 354.494 4.642 50 0 FJAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000036394765 571252861 /nfs/dbraw/zinc/25/28/61/571252861.db2.gz AGOBJJNYTFGFEX-CYBMUJFWSA-N 1 1 374.387 4.666 50 0 FJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000036394765 571252862 /nfs/dbraw/zinc/25/28/62/571252862.db2.gz AGOBJJNYTFGFEX-CYBMUJFWSA-N 1 1 374.387 4.666 50 0 FJAAMO FC(F)(F)c1cc(NCC[N@H+]2CCc3ccccc3C2)c2ccccc2n1 ZINC000089861164 571273675 /nfs/dbraw/zinc/27/36/75/571273675.db2.gz PRGYQORRLLPAKH-UHFFFAOYSA-N 1 1 371.406 4.724 50 0 FJAAMO CCc1ccc2c(C[N@H+](C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc(=O)oc2c1 ZINC000017524022 571282480 /nfs/dbraw/zinc/28/24/80/571282480.db2.gz YNOZRLSDBVLPBF-LIRRHRJNSA-N 1 1 351.446 4.704 50 0 FJAAMO CCc1ccc2c(C[N@@H+](C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc(=O)oc2c1 ZINC000017524022 571282481 /nfs/dbraw/zinc/28/24/81/571282481.db2.gz YNOZRLSDBVLPBF-LIRRHRJNSA-N 1 1 351.446 4.704 50 0 FJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)s1 ZINC000079190802 571327212 /nfs/dbraw/zinc/32/72/12/571327212.db2.gz MEIZQZZEDORMJF-XJKSGUPXSA-N 1 1 362.926 4.549 50 0 FJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1OC(F)F ZINC000095453812 571329978 /nfs/dbraw/zinc/32/99/78/571329978.db2.gz YLSXNIZXOIVXGZ-QGZVFWFLSA-N 1 1 362.420 4.809 50 0 FJAAMO Cc1ccccc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000020733562 571331651 /nfs/dbraw/zinc/33/16/51/571331651.db2.gz TWLQFTCLKAJKAP-XLIONFOSSA-N 1 1 359.583 4.667 50 0 FJAAMO Cc1ccccc1C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020766613 571331730 /nfs/dbraw/zinc/33/17/30/571331730.db2.gz SXLCHWAAYOUDQI-UHFFFAOYSA-N 1 1 354.497 4.883 50 0 FJAAMO CCC[C@@H](C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000022349041 571336709 /nfs/dbraw/zinc/33/67/09/571336709.db2.gz BCVGMZHZTBXIFR-OFNKIYASSA-N 1 1 364.533 4.665 50 0 FJAAMO CCC[C@@H](C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000022349046 571336753 /nfs/dbraw/zinc/33/67/53/571336753.db2.gz BCVGMZHZTBXIFR-NFBKMPQASA-N 1 1 364.533 4.665 50 0 FJAAMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427724 571343379 /nfs/dbraw/zinc/34/33/79/571343379.db2.gz LONPHRVCDZFBKG-KRWDZBQOSA-N 1 1 363.461 4.690 50 0 FJAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCC3)CC2)c(C)c1 ZINC000003058492 571344395 /nfs/dbraw/zinc/34/43/95/571344395.db2.gz ADVDFVHZVVXYJR-UHFFFAOYSA-N 1 1 359.583 4.729 50 0 FJAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003588740 571351385 /nfs/dbraw/zinc/35/13/85/571351385.db2.gz PITDVXVLGILNFO-UHFFFAOYSA-N 1 1 373.488 4.599 50 0 FJAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126478 571359119 /nfs/dbraw/zinc/35/91/19/571359119.db2.gz QIWHYQZOGCWXNY-SFHVURJKSA-N 1 1 363.288 4.941 50 0 FJAAMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126762 571359209 /nfs/dbraw/zinc/35/92/09/571359209.db2.gz HXGGXHBPTDGCSA-QGZVFWFLSA-N 1 1 363.288 4.941 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127536 571359252 /nfs/dbraw/zinc/35/92/52/571359252.db2.gz QTQKDHFTEHBMNC-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127536 571359253 /nfs/dbraw/zinc/35/92/53/571359253.db2.gz QTQKDHFTEHBMNC-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO C[N@@H+]1[C@H]2C=C(N(C(=O)c3ccc(Cl)cc3)c3ccccc3)C[C@@H]1CC2 ZINC000000755209 219319181 /nfs/dbraw/zinc/31/91/81/219319181.db2.gz PAAJTXSXVPEGFW-MOPGFXCFSA-N 1 1 352.865 4.737 50 0 FJAAMO Cc1cc(C)c(OCCCC[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000002823980 209398988 /nfs/dbraw/zinc/39/89/88/209398988.db2.gz URQBIGPVUPCUIG-AWEZNQCLSA-N 1 1 354.332 4.957 50 0 FJAAMO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012126303 219957217 /nfs/dbraw/zinc/95/72/17/219957217.db2.gz MLXJSPDFMKDBTM-QHCPKHFHSA-N 1 1 360.457 4.535 50 0 FJAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012126303 219957220 /nfs/dbraw/zinc/95/72/20/219957220.db2.gz MLXJSPDFMKDBTM-QHCPKHFHSA-N 1 1 360.457 4.535 50 0 FJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012579593 220009507 /nfs/dbraw/zinc/00/95/07/220009507.db2.gz LKTGMNSHNJYQIM-QGZVFWFLSA-N 1 1 359.901 4.521 50 0 FJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012579593 220009511 /nfs/dbraw/zinc/00/95/11/220009511.db2.gz LKTGMNSHNJYQIM-QGZVFWFLSA-N 1 1 359.901 4.521 50 0 FJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702476 220017702 /nfs/dbraw/zinc/01/77/02/220017702.db2.gz JYPRTEYNYRBMSX-GOSISDBHSA-N 1 1 373.928 4.829 50 0 FJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012766621 220027381 /nfs/dbraw/zinc/02/73/81/220027381.db2.gz SJWZEJXWCCHUIY-NRFANRHFSA-N 1 1 363.457 4.756 50 0 FJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012792559 220030276 /nfs/dbraw/zinc/03/02/76/220030276.db2.gz KJEYVSGMWLBADA-CHWSQXEVSA-N 1 1 363.914 4.527 50 0 FJAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(Cl)ccc1F ZINC000013007302 220052737 /nfs/dbraw/zinc/05/27/37/220052737.db2.gz DMBVFQVIEUGYEE-UHFFFAOYSA-N 1 1 367.877 4.564 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000013017390 220055379 /nfs/dbraw/zinc/05/53/79/220055379.db2.gz WODCWTHSDBAFBS-GOSISDBHSA-N 1 1 373.500 4.901 50 0 FJAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000013017390 220055382 /nfs/dbraw/zinc/05/53/82/220055382.db2.gz WODCWTHSDBAFBS-GOSISDBHSA-N 1 1 373.500 4.901 50 0 FJAAMO COc1ccccc1C[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013720329 220089671 /nfs/dbraw/zinc/08/96/71/220089671.db2.gz BBEZJQDWQBRZSA-UHFFFAOYSA-N 1 1 351.421 4.703 50 0 FJAAMO CSc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)cc1 ZINC000015072274 220145989 /nfs/dbraw/zinc/14/59/89/220145989.db2.gz CRLTYSFVFXESTA-JOCHJYFZSA-N 1 1 355.547 4.534 50 0 FJAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C4CCCCCC4)C3)C2)c1 ZINC000015063389 220143394 /nfs/dbraw/zinc/14/33/94/220143394.db2.gz GUWMJHBVDHRTEW-XMMPIXPASA-N 1 1 368.565 4.780 50 0 FJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000015074370 220145495 /nfs/dbraw/zinc/14/54/95/220145495.db2.gz QSWGTELULQXTEK-FQEVSTJZSA-N 1 1 365.477 4.610 50 0 FJAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000015861047 220168510 /nfs/dbraw/zinc/16/85/10/220168510.db2.gz MPAYNNUALYHGAL-UHFFFAOYSA-N 1 1 358.844 4.558 50 0 FJAAMO C[N@@H+](C1CCCCC1)C1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000003045530 206954404 /nfs/dbraw/zinc/95/44/04/206954404.db2.gz QNGQMUWRPDNPPL-UHFFFAOYSA-N 1 1 365.974 4.766 50 0 FJAAMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004672948 207037069 /nfs/dbraw/zinc/03/70/69/207037069.db2.gz BFFNCKPHSZVHRB-PQCJFMQRSA-N 1 1 366.549 4.984 50 0 FJAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000004745063 207045359 /nfs/dbraw/zinc/04/53/59/207045359.db2.gz IVSOCRIDXMJPBC-HSZRJFAPSA-N 1 1 372.512 4.710 50 0 FJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050914 207076237 /nfs/dbraw/zinc/07/62/37/207076237.db2.gz HKEQUIGLRFPHJU-UHFFFAOYSA-N 1 1 372.534 4.549 50 0 FJAAMO CN(C)CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008373868 207231306 /nfs/dbraw/zinc/23/13/06/207231306.db2.gz QKXPOLCGSPTCRV-UHFFFAOYSA-N 1 1 367.320 4.614 50 0 FJAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011816363 207323954 /nfs/dbraw/zinc/32/39/54/207323954.db2.gz ZRQDLTFTMBRIEZ-UHFFFAOYSA-N 1 1 369.427 4.651 50 0 FJAAMO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCn1cccn1 ZINC000011945283 207330434 /nfs/dbraw/zinc/33/04/34/207330434.db2.gz GBUVNQBCXRVLFU-XMMPIXPASA-N 1 1 370.500 4.711 50 0 FJAAMO COC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000011935397 207330857 /nfs/dbraw/zinc/33/08/57/207330857.db2.gz HKGKYAXVKVCKHH-GOSISDBHSA-N 1 1 361.489 4.602 50 0 FJAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000011879373 207328119 /nfs/dbraw/zinc/32/81/19/207328119.db2.gz UCHPXRXBGADQOU-SFHVURJKSA-N 1 1 366.486 4.859 50 0 FJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc1 ZINC000012154655 207343721 /nfs/dbraw/zinc/34/37/21/207343721.db2.gz GVGUBYJKLHGXNO-FQEVSTJZSA-N 1 1 361.489 4.773 50 0 FJAAMO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 ZINC000012049526 207335318 /nfs/dbraw/zinc/33/53/18/207335318.db2.gz KDFXHEYHXDZHDQ-IBGZPJMESA-N 1 1 355.865 4.638 50 0 FJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 ZINC000012049526 207335320 /nfs/dbraw/zinc/33/53/20/207335320.db2.gz KDFXHEYHXDZHDQ-IBGZPJMESA-N 1 1 355.865 4.638 50 0 FJAAMO C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(NCc2cccs2)n1 ZINC000012135165 207341231 /nfs/dbraw/zinc/34/12/31/207341231.db2.gz RUEXPPPCZVZYHO-OAHLLOKOSA-N 1 1 352.507 4.678 50 0 FJAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)cc1F ZINC000012151218 207343625 /nfs/dbraw/zinc/34/36/25/207343625.db2.gz UVADPZQJHLGRKV-RDJZCZTQSA-N 1 1 357.448 4.891 50 0 FJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C2(C)CCCCC2)C1 ZINC000012592557 207397336 /nfs/dbraw/zinc/39/73/36/207397336.db2.gz HKXGXFJKFNMZCF-OAQYLSRUSA-N 1 1 370.581 4.678 50 0 FJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cccs1 ZINC000027582751 207933767 /nfs/dbraw/zinc/93/37/67/207933767.db2.gz OQDNYWOMAIGVMO-KRWDZBQOSA-N 1 1 362.926 4.749 50 0 FJAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937453 208060263 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COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)co2)cc1 ZINC000042738865 208296375 /nfs/dbraw/zinc/29/63/75/208296375.db2.gz RJVLYVSSMUCXOQ-NRFANRHFSA-N 1 1 364.445 4.696 50 0 FJAAMO S=C1N=NC([C@@H]2CCC[N@@H+]2Cc2ccccc2)N1c1ccc(Cl)cc1 ZINC000019858296 220301323 /nfs/dbraw/zinc/30/13/23/220301323.db2.gz NUBGPENOHGDBHU-KRWDZBQOSA-N 1 1 370.909 4.547 50 0 FJAAMO S=C1N=NC([C@@H]2CCC[N@H+]2Cc2ccccc2)N1c1ccc(Cl)cc1 ZINC000019858296 220301328 /nfs/dbraw/zinc/30/13/28/220301328.db2.gz NUBGPENOHGDBHU-KRWDZBQOSA-N 1 1 370.909 4.547 50 0 FJAAMO CC(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000020856726 220342460 /nfs/dbraw/zinc/34/24/60/220342460.db2.gz NUVDKAIHOWIXET-OAHLLOKOSA-N 1 1 351.416 4.931 50 0 FJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1OC ZINC000021720867 220364583 /nfs/dbraw/zinc/36/45/83/220364583.db2.gz UYUDTDQMLAPIAV-QGZVFWFLSA-N 1 1 358.482 4.680 50 0 FJAAMO Cc1ccccc1SC1CCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000095358356 209026926 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50 0 FJAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 ZINC000584887760 571314130 /nfs/dbraw/zinc/31/41/30/571314130.db2.gz KIVINMHZVDNEOF-OAHLLOKOSA-N 1 1 374.887 4.608 50 0 FJAAMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000095454299 571329974 /nfs/dbraw/zinc/32/99/74/571329974.db2.gz ZVYPCTRXQKWKDB-UHFFFAOYSA-N 1 1 374.488 4.909 50 0 FJAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000002620753 571339371 /nfs/dbraw/zinc/33/93/71/571339371.db2.gz QREKXVSSVPTDKW-UHFFFAOYSA-N 1 1 358.485 4.656 50 0 FJAAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000002620753 571339372 /nfs/dbraw/zinc/33/93/72/571339372.db2.gz QREKXVSSVPTDKW-UHFFFAOYSA-N 1 1 358.485 4.656 50 0 FJAAMO CCc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000002912849 571341613 /nfs/dbraw/zinc/34/16/13/571341613.db2.gz QDAQXXBGLXKRHW-UHFFFAOYSA-N 1 1 361.599 4.697 50 0 FJAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=S)Nc2cccc(F)c2)o1 ZINC000003027316 571343673 /nfs/dbraw/zinc/34/36/73/571343673.db2.gz OZVUEEWLSMZGAU-UHFFFAOYSA-N 1 1 363.502 4.527 50 0 FJAAMO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057508807 571343908 /nfs/dbraw/zinc/34/39/08/571343908.db2.gz HJXQGDGZILXMRK-MGPUTAFESA-N 1 1 368.477 4.902 50 0 FJAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000003060237 571344432 /nfs/dbraw/zinc/34/44/32/571344432.db2.gz VTVHIZHHHJLBBK-CYBMUJFWSA-N 1 1 353.963 4.540 50 0 FJAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003060204 571344462 /nfs/dbraw/zinc/34/44/62/571344462.db2.gz PPWOUQLORDDTKZ-ZDUSSCGKSA-N 1 1 373.488 4.597 50 0 FJAAMO Cc1ccc(NC(=S)NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000003061686 571344549 /nfs/dbraw/zinc/34/45/49/571344549.db2.gz YWDVXRJHWGVKPF-RBUKOAKNSA-N 1 1 367.562 4.673 50 0 FJAAMO CC[N@@H+](C[C@H](O)COc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000003253311 571346141 /nfs/dbraw/zinc/34/61/41/571346141.db2.gz YBHHLHKOBZIVOS-NRFANRHFSA-N 1 1 353.506 4.748 50 0 FJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000003455736 571350042 /nfs/dbraw/zinc/35/00/42/571350042.db2.gz NAFPUGZSGVAFTM-UHFFFAOYSA-N 1 1 356.535 4.911 50 0 FJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000003455736 571350043 /nfs/dbraw/zinc/35/00/43/571350043.db2.gz NAFPUGZSGVAFTM-UHFFFAOYSA-N 1 1 356.535 4.911 50 0 FJAAMO O=C(Nc1c(Cl)cccc1Cl)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029314 571354229 /nfs/dbraw/zinc/35/42/29/571354229.db2.gz IXTGJEBIXNXKRT-SWLSCSKDSA-N 1 1 357.281 4.806 50 0 FJAAMO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)cc1Cl ZINC000008127404 571359224 /nfs/dbraw/zinc/35/92/24/571359224.db2.gz IRASYVRZSRILQX-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)cc1Cl ZINC000008127404 571359225 /nfs/dbraw/zinc/35/92/25/571359225.db2.gz IRASYVRZSRILQX-UHFFFAOYSA-N 1 1 368.864 4.572 50 0 FJAAMO Fc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]Cc2ncc[nH]2)cc1 ZINC000066594191 571359854 /nfs/dbraw/zinc/35/98/54/571359854.db2.gz ZAPLTWDZAKPNJA-QGZVFWFLSA-N 1 1 364.251 4.929 50 0 FJAAMO