smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000014276573 1073081208 /nfs/dbraw/zinc/08/12/08/1073081208.db2.gz HVISKDGKFMLJAE-UHFFFAOYSA-N 1 2 437.507 -0.478 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000014329543 1070804956 /nfs/dbraw/zinc/80/49/56/1070804956.db2.gz UGTVGDLXLUARQQ-UHFFFAOYSA-N 1 2 442.461 -0.596 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000014731331 1070812391 /nfs/dbraw/zinc/81/23/91/1070812391.db2.gz FBQCNKIOJCVPOH-UHFFFAOYSA-N 1 2 431.478 -0.018 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CC(N)=O)C(C)C)CC2)cc1OC ZINC000014927434 1073081586 /nfs/dbraw/zinc/08/15/86/1073081586.db2.gz NJPSXZILBIRDGO-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CC(N)=O)C(C)C)CC2)cc1OC ZINC000014927434 1073081581 /nfs/dbraw/zinc/08/15/81/1073081581.db2.gz NJPSXZILBIRDGO-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO Cn1c2ncn(CC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000016056423 1071294934 /nfs/dbraw/zinc/29/49/34/1071294934.db2.gz VZFDSAHGAGIDAZ-MRXNPFEDSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1c2ncn(CC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000016056423 1071294912 /nfs/dbraw/zinc/29/49/12/1071294912.db2.gz VZFDSAHGAGIDAZ-MRXNPFEDSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1c2ncn(CC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000016056425 1071295046 /nfs/dbraw/zinc/29/50/46/1071295046.db2.gz VZFDSAHGAGIDAZ-INIZCTEOSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1c2ncn(CC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000016056425 1071295039 /nfs/dbraw/zinc/29/50/39/1071295039.db2.gz VZFDSAHGAGIDAZ-INIZCTEOSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[NH+](CCOc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000016056486 1072662213 /nfs/dbraw/zinc/66/22/13/1072662213.db2.gz RMPISNQUPYXDGG-UHFFFAOYSA-N 1 2 426.477 -0.343 20 0 IBADLO COCCN(C(=O)C[NH+]1CCC(C(=O)OC)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016517039 1073082591 /nfs/dbraw/zinc/08/25/91/1073082591.db2.gz IUYMGOUSPMDLGT-UHFFFAOYSA-N 1 2 439.513 -0.361 20 0 IBADLO Cn1c2ncn(CCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000018214206 1073083472 /nfs/dbraw/zinc/08/34/72/1073083472.db2.gz MBEOHTJMQYJCLE-UHFFFAOYSA-N 1 2 440.504 -0.028 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](CCOc3ccccc3)CC1)c(=O)n2C ZINC000018826705 1073083413 /nfs/dbraw/zinc/08/34/13/1073083413.db2.gz PENZFKNVGLMVGT-UHFFFAOYSA-N 1 2 426.477 -0.343 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000021132715 1071438269 /nfs/dbraw/zinc/43/82/69/1071438269.db2.gz UPOSUGJPCWIHSG-LBPRGKRZSA-N 1 2 448.509 -0.016 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)NCc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000021436096 1071473255 /nfs/dbraw/zinc/47/32/55/1071473255.db2.gz HBSXYEXBHCSWCE-UHFFFAOYSA-N 1 2 439.520 -0.632 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000022085649 1073085017 /nfs/dbraw/zinc/08/50/17/1073085017.db2.gz NPBCNBMUPFQFLO-UHFFFAOYSA-N 1 2 440.464 -0.255 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)CC1 ZINC000022160165 1073085104 /nfs/dbraw/zinc/08/51/04/1073085104.db2.gz KKLXUBHRWMLTJC-GOSISDBHSA-N 1 2 430.494 -0.561 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)CC1 ZINC000022160169 1073084999 /nfs/dbraw/zinc/08/49/99/1073084999.db2.gz KKLXUBHRWMLTJC-SFHVURJKSA-N 1 2 430.494 -0.561 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000022547169 1073085435 /nfs/dbraw/zinc/08/54/35/1073085435.db2.gz QZBZPKSIXOTWMS-UHFFFAOYSA-N 1 2 445.630 -0.048 20 0 IBADLO CNC(=O)c1ccc(C[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C2CC2)cc1 ZINC000023146259 1071144768 /nfs/dbraw/zinc/14/47/68/1071144768.db2.gz SGOUNRFGKYIKFQ-UHFFFAOYSA-N 1 2 429.477 -0.028 20 0 IBADLO CNC(=O)c1ccc(C[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C2CC2)cc1 ZINC000023146259 1071144761 /nfs/dbraw/zinc/14/47/61/1071144761.db2.gz SGOUNRFGKYIKFQ-UHFFFAOYSA-N 1 2 429.477 -0.028 20 0 IBADLO O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023302926 1073086428 /nfs/dbraw/zinc/08/64/28/1073086428.db2.gz RFKBCMFMPHXQFM-UHFFFAOYSA-N 1 2 445.564 -0.066 20 0 IBADLO COCCNC(=O)CN1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000023367726 1071085325 /nfs/dbraw/zinc/08/53/25/1071085325.db2.gz RUEXXKIEBFUZMS-UHFFFAOYSA-N 1 2 433.553 -0.163 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000023461346 1074470121 /nfs/dbraw/zinc/47/01/21/1074470121.db2.gz LLCJUNWBOCEWBL-UHFFFAOYSA-N 1 2 440.489 -0.249 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000023462725 1074470142 /nfs/dbraw/zinc/47/01/42/1074470142.db2.gz YNGSZRFPZXHMAH-UHFFFAOYSA-N 1 2 428.478 -0.491 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000023463279 1071261196 /nfs/dbraw/zinc/26/11/96/1071261196.db2.gz LBUPPGWDCCAQHU-UHFFFAOYSA-N 1 2 449.269 -0.675 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)Nc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000023665052 1073086869 /nfs/dbraw/zinc/08/68/69/1073086869.db2.gz WUOFLZRIWDYBCR-UHFFFAOYSA-N 1 2 425.493 -0.310 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)N2CCOCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023670550 1073971338 /nfs/dbraw/zinc/97/13/38/1073971338.db2.gz WQSFFIZJPSWNCD-UHFFFAOYSA-N 1 2 436.513 -0.268 20 0 IBADLO CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000024013636 1073087116 /nfs/dbraw/zinc/08/71/16/1073087116.db2.gz QERODXQDRCCCRK-UHFFFAOYSA-N 1 2 428.453 -0.541 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)c2c(=O)n(C)c1=O ZINC000024300302 1073087178 /nfs/dbraw/zinc/08/71/78/1073087178.db2.gz YJMRWMVPNQPZFW-UHFFFAOYSA-N 1 2 438.488 -0.287 20 0 IBADLO COCCCn1c(=O)[nH]nc1SCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000024307541 1073087316 /nfs/dbraw/zinc/08/73/16/1073087316.db2.gz GUQQEQJBBBRDIH-UHFFFAOYSA-N 1 2 447.525 -0.275 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684328 1073087630 /nfs/dbraw/zinc/08/76/30/1073087630.db2.gz TVXKVXDXOJLOAA-UHFFFAOYSA-N 1 2 430.552 -0.312 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684442 1073087539 /nfs/dbraw/zinc/08/75/39/1073087539.db2.gz AWZJZBPAHUCBIS-UHFFFAOYSA-N 1 2 445.567 -0.557 20 0 IBADLO COC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024684511 1073087778 /nfs/dbraw/zinc/08/77/78/1073087778.db2.gz AAHLKCNKMVBWPK-UHFFFAOYSA-N 1 2 446.551 -0.728 20 0 IBADLO COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684542 1073087567 /nfs/dbraw/zinc/08/75/67/1073087567.db2.gz UPPAGDYRPHLFKZ-UHFFFAOYSA-N 1 2 446.551 -0.728 20 0 IBADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024696956 1072871584 /nfs/dbraw/zinc/87/15/84/1072871584.db2.gz AAXZTCTWXIYMOL-QGZVFWFLSA-N 1 2 441.554 -0.330 20 0 IBADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024696964 1072871503 /nfs/dbraw/zinc/87/15/03/1072871503.db2.gz AAXZTCTWXIYMOL-KRWDZBQOSA-N 1 2 441.554 -0.330 20 0 IBADLO COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(OC)c1OC ZINC000024697224 1073088887 /nfs/dbraw/zinc/08/88/87/1073088887.db2.gz JZDNPOFFISBIIB-UHFFFAOYSA-N 1 2 442.538 -0.038 20 0 IBADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc2c1OCCO2 ZINC000024697681 1073088196 /nfs/dbraw/zinc/08/81/96/1073088196.db2.gz NLCQDVQPDFCYBR-UHFFFAOYSA-N 1 2 440.522 -0.284 20 0 IBADLO Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000024697830 1073087908 /nfs/dbraw/zinc/08/79/08/1073087908.db2.gz PHHBGYQHKKABNG-UHFFFAOYSA-N 1 2 437.566 -0.330 20 0 IBADLO Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024697877 1073087942 /nfs/dbraw/zinc/08/79/42/1073087942.db2.gz ALCVVTVODGSOLV-UHFFFAOYSA-N 1 2 437.566 -0.330 20 0 IBADLO Cc1cccc2c(=O)n(CC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cnc12 ZINC000024698360 1072871530 /nfs/dbraw/zinc/87/15/30/1072871530.db2.gz JVMISCPMPQFANT-UHFFFAOYSA-N 1 2 448.549 -0.659 20 0 IBADLO COC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000024698899 1073088226 /nfs/dbraw/zinc/08/82/26/1073088226.db2.gz GWOWFJNOTWDGOE-UHFFFAOYSA-N 1 2 427.527 -0.332 20 0 IBADLO Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000024698956 1071349473 /nfs/dbraw/zinc/34/94/73/1071349473.db2.gz KEBVSKQPCCARSX-SFHVURJKSA-N 1 2 449.577 -0.016 20 0 IBADLO Cc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000024698960 1071349340 /nfs/dbraw/zinc/34/93/40/1071349340.db2.gz KEBVSKQPCCARSX-GOSISDBHSA-N 1 2 449.577 -0.016 20 0 IBADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024699183 1073088110 /nfs/dbraw/zinc/08/81/10/1073088110.db2.gz MXDKXZOTNPUTST-UHFFFAOYSA-N 1 2 444.579 -0.351 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000024745657 1073088147 /nfs/dbraw/zinc/08/81/47/1073088147.db2.gz NPASOIBRLSMGHG-UHFFFAOYSA-N 1 2 435.448 -0.729 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(Cc4nc(N)c5ccccc5n4)CC3)c2c(=O)n(C)c1=O ZINC000025026751 1073089429 /nfs/dbraw/zinc/08/94/29/1073089429.db2.gz OBMHGGHRXBMLHZ-UHFFFAOYSA-N 1 2 449.519 -0.223 20 0 IBADLO O=S(=O)(c1cccc2nsnc21)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000025226416 1073383377 /nfs/dbraw/zinc/38/33/77/1073383377.db2.gz WJFWDLUYANYJDE-CQSZACIVSA-N 1 2 427.552 -0.309 20 0 IBADLO O=S(=O)(c1cccc2nsnc21)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000025226421 1073383453 /nfs/dbraw/zinc/38/34/53/1073383453.db2.gz WJFWDLUYANYJDE-AWEZNQCLSA-N 1 2 427.552 -0.309 20 0 IBADLO CCN(C(=O)C[N@H+](CC(N)=O)CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000026125736 1071354944 /nfs/dbraw/zinc/35/49/44/1071354944.db2.gz XCLNXSJFBBQNMY-UHFFFAOYSA-N 1 2 430.509 -0.037 20 0 IBADLO CCN(C(=O)C[N@@H+](CC(N)=O)CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000026125736 1071354929 /nfs/dbraw/zinc/35/49/29/1071354929.db2.gz XCLNXSJFBBQNMY-UHFFFAOYSA-N 1 2 430.509 -0.037 20 0 IBADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000026127058 1072722266 /nfs/dbraw/zinc/72/22/66/1072722266.db2.gz HXLIEUXEZPKTAW-UHFFFAOYSA-N 1 2 426.539 -0.233 20 0 IBADLO CC(C)C[N@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000026127058 1072722257 /nfs/dbraw/zinc/72/22/57/1072722257.db2.gz HXLIEUXEZPKTAW-UHFFFAOYSA-N 1 2 426.539 -0.233 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CC(N)=O)CC(C)C)CC2)cc1 ZINC000026127229 1071354660 /nfs/dbraw/zinc/35/46/60/1071354660.db2.gz PGPAWAQKGPZBPQ-UHFFFAOYSA-N 1 2 426.539 -0.029 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CC(N)=O)CC(C)C)CC2)cc1 ZINC000026127229 1071354643 /nfs/dbraw/zinc/35/46/43/1071354643.db2.gz PGPAWAQKGPZBPQ-UHFFFAOYSA-N 1 2 426.539 -0.029 20 0 IBADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000026128332 1073092579 /nfs/dbraw/zinc/09/25/79/1073092579.db2.gz YIKCXELVBCFOLT-UHFFFAOYSA-N 1 2 426.539 -0.233 20 0 IBADLO CC(C)C[N@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000026128332 1073092568 /nfs/dbraw/zinc/09/25/68/1073092568.db2.gz YIKCXELVBCFOLT-UHFFFAOYSA-N 1 2 426.539 -0.233 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(=O)[nH]c1=O ZINC000026154326 1072722443 /nfs/dbraw/zinc/72/24/43/1072722443.db2.gz LVIGEMJBDLEPDC-UHFFFAOYSA-N 1 2 429.477 -0.028 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(=O)[nH]c1=O ZINC000026154326 1072722433 /nfs/dbraw/zinc/72/24/33/1072722433.db2.gz LVIGEMJBDLEPDC-UHFFFAOYSA-N 1 2 429.477 -0.028 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000026172232 1071428645 /nfs/dbraw/zinc/42/86/45/1071428645.db2.gz IYNRSXAIFUESSI-HNNXBMFYSA-N 1 2 432.568 -0.604 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000026172232 1071428638 /nfs/dbraw/zinc/42/86/38/1071428638.db2.gz IYNRSXAIFUESSI-HNNXBMFYSA-N 1 2 432.568 -0.604 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000026172237 1071428597 /nfs/dbraw/zinc/42/85/97/1071428597.db2.gz IYNRSXAIFUESSI-OAHLLOKOSA-N 1 2 432.568 -0.604 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000026172237 1071428591 /nfs/dbraw/zinc/42/85/91/1071428591.db2.gz IYNRSXAIFUESSI-OAHLLOKOSA-N 1 2 432.568 -0.604 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000026173111 1071429515 /nfs/dbraw/zinc/42/95/15/1071429515.db2.gz YGERVPIBWLSRDR-MRXNPFEDSA-N 1 2 431.603 -0.551 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000026173111 1071429513 /nfs/dbraw/zinc/42/95/13/1071429513.db2.gz YGERVPIBWLSRDR-MRXNPFEDSA-N 1 2 431.603 -0.551 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000026173115 1071429296 /nfs/dbraw/zinc/42/92/96/1071429296.db2.gz YGERVPIBWLSRDR-INIZCTEOSA-N 1 2 431.603 -0.551 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000026173115 1071429290 /nfs/dbraw/zinc/42/92/90/1071429290.db2.gz YGERVPIBWLSRDR-INIZCTEOSA-N 1 2 431.603 -0.551 20 0 IBADLO CCOC(=O)[C@@H]1CSCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000026338075 1073092304 /nfs/dbraw/zinc/09/23/04/1073092304.db2.gz NKQPKJHLEOSTIH-HNNXBMFYSA-N 1 2 433.538 -0.008 20 0 IBADLO CCOC(=O)[C@H]1CSCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000026338078 1073092431 /nfs/dbraw/zinc/09/24/31/1073092431.db2.gz NKQPKJHLEOSTIH-OAHLLOKOSA-N 1 2 433.538 -0.008 20 0 IBADLO CN(CC(=O)NCc1ccco1)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000026482971 1074472958 /nfs/dbraw/zinc/47/29/58/1074472958.db2.gz AWRFXUHRVLQVEP-UHFFFAOYSA-N 1 2 426.481 -0.147 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000026532539 1074472952 /nfs/dbraw/zinc/47/29/52/1074472952.db2.gz POTUWAHSVCRYBL-UHFFFAOYSA-N 1 2 441.473 -0.143 20 0 IBADLO CCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000026662554 1073092978 /nfs/dbraw/zinc/09/29/78/1073092978.db2.gz HJDLAMHOVCZJAR-OAHLLOKOSA-N 1 2 435.554 -0.089 20 0 IBADLO CCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000026662558 1073092912 /nfs/dbraw/zinc/09/29/12/1073092912.db2.gz HJDLAMHOVCZJAR-HNNXBMFYSA-N 1 2 435.554 -0.089 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC000026712271 1073092833 /nfs/dbraw/zinc/09/28/33/1073092833.db2.gz AAHAGAVEAYWDQS-GOSISDBHSA-N 1 2 441.550 -0.137 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC000026712275 1073093050 /nfs/dbraw/zinc/09/30/50/1073093050.db2.gz AAHAGAVEAYWDQS-SFHVURJKSA-N 1 2 441.550 -0.137 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1C(N)=O ZINC000026769413 1073092999 /nfs/dbraw/zinc/09/29/99/1073092999.db2.gz DTQGXZLZDUMGSZ-UHFFFAOYSA-N 1 2 431.478 -0.018 20 0 IBADLO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000026900412 1073093256 /nfs/dbraw/zinc/09/32/56/1073093256.db2.gz NOYYHYQAUNBJJW-MRXNPFEDSA-N 1 2 438.554 -0.860 20 0 IBADLO CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000026900412 1073093240 /nfs/dbraw/zinc/09/32/40/1073093240.db2.gz NOYYHYQAUNBJJW-MRXNPFEDSA-N 1 2 438.554 -0.860 20 0 IBADLO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000026900416 1073093208 /nfs/dbraw/zinc/09/32/08/1073093208.db2.gz NOYYHYQAUNBJJW-INIZCTEOSA-N 1 2 438.554 -0.860 20 0 IBADLO CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000026900416 1073093192 /nfs/dbraw/zinc/09/31/92/1073093192.db2.gz NOYYHYQAUNBJJW-INIZCTEOSA-N 1 2 438.554 -0.860 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000026975695 1073093365 /nfs/dbraw/zinc/09/33/65/1073093365.db2.gz LLWKPLXXDAMUAB-UHFFFAOYSA-N 1 2 430.552 -0.384 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000026976366 1073093443 /nfs/dbraw/zinc/09/34/43/1073093443.db2.gz AALWWSXBGIZHDO-UHFFFAOYSA-N 1 2 427.479 -0.252 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000027217406 1070852527 /nfs/dbraw/zinc/85/25/27/1070852527.db2.gz RFGXPXSGDAMIJZ-SFHVURJKSA-N 1 2 434.504 -0.076 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000027364227 1073383843 /nfs/dbraw/zinc/38/38/43/1073383843.db2.gz ZOORNTNUSRDNLJ-UHFFFAOYSA-N 1 2 440.566 -0.208 20 0 IBADLO CN(C)S(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000027430498 1072169513 /nfs/dbraw/zinc/16/95/13/1072169513.db2.gz PUWAIMCERVVPQW-UHFFFAOYSA-N 1 2 439.582 -0.441 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000027509158 1073094236 /nfs/dbraw/zinc/09/42/36/1073094236.db2.gz JOFHPUQDJYNHAQ-UHFFFAOYSA-N 1 2 447.463 -0.536 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)N4CCCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000027544574 1073094082 /nfs/dbraw/zinc/09/40/82/1073094082.db2.gz FULFDGOBJGOTIM-UHFFFAOYSA-N 1 2 431.541 -0.546 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CCCN(C(C)=O)CC2)c(=O)[nH]c1=O ZINC000027564763 1071351217 /nfs/dbraw/zinc/35/12/17/1071351217.db2.gz UTTBKYDBZVJFNJ-UHFFFAOYSA-N 1 2 438.529 -0.548 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CCCN(C(C)=O)CC2)c(=O)[nH]c1=O ZINC000027564763 1071351208 /nfs/dbraw/zinc/35/12/08/1071351208.db2.gz UTTBKYDBZVJFNJ-UHFFFAOYSA-N 1 2 438.529 -0.548 20 0 IBADLO COCCN(C(=O)C[N@H+]1CCCN(C(C)=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000027564826 1073383873 /nfs/dbraw/zinc/38/38/73/1073383873.db2.gz NNDONASRUWCKPP-UHFFFAOYSA-N 1 2 438.529 -0.692 20 0 IBADLO COCCN(C(=O)C[N@@H+]1CCCN(C(C)=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000027564826 1073383872 /nfs/dbraw/zinc/38/38/72/1073383872.db2.gz NNDONASRUWCKPP-UHFFFAOYSA-N 1 2 438.529 -0.692 20 0 IBADLO CC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000027565141 1073094172 /nfs/dbraw/zinc/09/41/72/1073094172.db2.gz CCPYWPDKGHIGMC-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO CC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000027565141 1073094159 /nfs/dbraw/zinc/09/41/59/1073094159.db2.gz CCPYWPDKGHIGMC-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000027765441 1073094275 /nfs/dbraw/zinc/09/42/75/1073094275.db2.gz VCKSHZVUSUXFJR-UHFFFAOYSA-N 1 2 437.566 -0.217 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(=O)[nH]c1=O ZINC000027781322 1072372490 /nfs/dbraw/zinc/37/24/90/1072372490.db2.gz ZSQYRWYNKVNFRN-UHFFFAOYSA-N 1 2 435.403 -0.662 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000027869380 1073094712 /nfs/dbraw/zinc/09/47/12/1073094712.db2.gz OACAZHQWNANCRJ-UHFFFAOYSA-N 1 2 426.477 -0.100 20 0 IBADLO CC(=O)N1CCC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000027911381 1071427813 /nfs/dbraw/zinc/42/78/13/1071427813.db2.gz DROBZQBXWTVWKW-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO CC(=O)N1CCC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000027911381 1071427785 /nfs/dbraw/zinc/42/77/85/1071427785.db2.gz DROBZQBXWTVWKW-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnnn2C[C@@H]2CCCO2)CC1 ZINC000027942011 1073094561 /nfs/dbraw/zinc/09/45/61/1073094561.db2.gz OLBMBMVFDSWWIG-ZDUSSCGKSA-N 1 2 444.525 -0.030 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnnn2C[C@H]2CCCO2)CC1 ZINC000027942016 1073094462 /nfs/dbraw/zinc/09/44/62/1073094462.db2.gz OLBMBMVFDSWWIG-CYBMUJFWSA-N 1 2 444.525 -0.030 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000028176904 1073302323 /nfs/dbraw/zinc/30/23/23/1073302323.db2.gz JERAIJTURQLCLW-UHFFFAOYSA-N 1 2 440.566 -0.208 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000028724133 1073095203 /nfs/dbraw/zinc/09/52/03/1073095203.db2.gz LYQZCCYWSRFJJC-UHFFFAOYSA-N 1 2 443.483 -0.171 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c(=O)[nH]c1=O ZINC000028753497 1073095650 /nfs/dbraw/zinc/09/56/50/1073095650.db2.gz WTUXLZDMTPWZSB-UHFFFAOYSA-N 1 2 434.453 -0.405 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cnc2n(C)c1=O ZINC000029026055 1073095553 /nfs/dbraw/zinc/09/55/53/1073095553.db2.gz MTNQAZNFFIWJCK-UHFFFAOYSA-N 1 2 428.493 -0.598 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cnc2n(C)c1=O ZINC000029026055 1073095539 /nfs/dbraw/zinc/09/55/39/1073095539.db2.gz MTNQAZNFFIWJCK-UHFFFAOYSA-N 1 2 428.493 -0.598 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000029028196 1073095740 /nfs/dbraw/zinc/09/57/40/1073095740.db2.gz MLSZZKSHMBVQCA-UHFFFAOYSA-N 1 2 430.509 -0.352 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000029028196 1073095728 /nfs/dbraw/zinc/09/57/28/1073095728.db2.gz MLSZZKSHMBVQCA-UHFFFAOYSA-N 1 2 430.509 -0.352 20 0 IBADLO COCCn1c(N)c(C(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000029054141 1073096207 /nfs/dbraw/zinc/09/62/07/1073096207.db2.gz XZHFNUXSUPSXTO-UHFFFAOYSA-N 1 2 431.493 -0.356 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000029062388 1073302806 /nfs/dbraw/zinc/30/28/06/1073302806.db2.gz BKTKDCGFIAAZLU-NSHDSACASA-N 1 2 439.494 -0.712 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000029062388 1073302800 /nfs/dbraw/zinc/30/28/00/1073302800.db2.gz BKTKDCGFIAAZLU-NSHDSACASA-N 1 2 439.494 -0.712 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000029062393 1073302841 /nfs/dbraw/zinc/30/28/41/1073302841.db2.gz BKTKDCGFIAAZLU-LLVKDONJSA-N 1 2 439.494 -0.712 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000029062393 1073302834 /nfs/dbraw/zinc/30/28/34/1073302834.db2.gz BKTKDCGFIAAZLU-LLVKDONJSA-N 1 2 439.494 -0.712 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000029116240 1073096153 /nfs/dbraw/zinc/09/61/53/1073096153.db2.gz BSHJHHNOFKUUPA-UHFFFAOYSA-N 1 2 443.504 -0.024 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(=O)[nH]c1=O ZINC000029119778 1073096071 /nfs/dbraw/zinc/09/60/71/1073096071.db2.gz HOEWOCDJMHFAIT-UHFFFAOYSA-N 1 2 431.493 -0.084 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c(=O)[nH]c1=O ZINC000029119778 1073096061 /nfs/dbraw/zinc/09/60/61/1073096061.db2.gz HOEWOCDJMHFAIT-UHFFFAOYSA-N 1 2 431.493 -0.084 20 0 IBADLO COCCn1c(N)c(C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(=O)[nH]c1=O ZINC000029144222 1073096033 /nfs/dbraw/zinc/09/60/33/1073096033.db2.gz ITTNGNBRMONKQL-UHFFFAOYSA-N 1 2 445.524 -0.008 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000029466116 1073096864 /nfs/dbraw/zinc/09/68/64/1073096864.db2.gz PFYSOHKZVALWLM-UHFFFAOYSA-N 1 2 435.448 -0.729 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2=O ZINC000029545855 1072712784 /nfs/dbraw/zinc/71/27/84/1072712784.db2.gz HDMGOFDOFZEMAB-UHFFFAOYSA-N 1 2 442.586 -0.446 20 0 IBADLO CC[C@H](c1nnc(SCC(=O)N2CCNC(=O)C2)n1CCN1CCOCC1)[NH+](C)C ZINC000029594990 1073310262 /nfs/dbraw/zinc/31/02/62/1073310262.db2.gz UWCZQVHECPPQFJ-OAHLLOKOSA-N 1 2 439.586 -0.327 20 0 IBADLO CC[C@@H](c1nnc(SCC(=O)N2CCNC(=O)C2)n1CCN1CCOCC1)[NH+](C)C ZINC000029594991 1073310283 /nfs/dbraw/zinc/31/02/83/1073310283.db2.gz UWCZQVHECPPQFJ-HNNXBMFYSA-N 1 2 439.586 -0.327 20 0 IBADLO CCNC(=O)CN1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000029672555 1073097244 /nfs/dbraw/zinc/09/72/44/1073097244.db2.gz BSCBUTNUIADPDE-UHFFFAOYSA-N 1 2 440.566 -0.160 20 0 IBADLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000029680479 1073097791 /nfs/dbraw/zinc/09/77/91/1073097791.db2.gz BDLJBVTVBNNAKS-MRXNPFEDSA-N 1 2 431.541 -0.548 20 0 IBADLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000029680483 1073097871 /nfs/dbraw/zinc/09/78/71/1073097871.db2.gz BDLJBVTVBNNAKS-INIZCTEOSA-N 1 2 431.541 -0.548 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000029820375 1073098445 /nfs/dbraw/zinc/09/84/45/1073098445.db2.gz SWKMNLQUANMNDH-UHFFFAOYSA-N 1 2 445.549 -0.083 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c2c(=O)n(C)c1=O ZINC000030002818 1073098995 /nfs/dbraw/zinc/09/89/95/1073098995.db2.gz FEOJKLNMOOLBCD-UHFFFAOYSA-N 1 2 440.460 -0.380 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000030004324 1073099119 /nfs/dbraw/zinc/09/91/19/1073099119.db2.gz WRKYUAYZAUVTBL-UHFFFAOYSA-N 1 2 440.551 -0.385 20 0 IBADLO O=c1[nH]c2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2[nH]c1=O ZINC000030004362 1073098885 /nfs/dbraw/zinc/09/88/85/1073098885.db2.gz FFXTVVRAFGMYJY-UHFFFAOYSA-N 1 2 445.505 -0.503 20 0 IBADLO NS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000030004373 1073098862 /nfs/dbraw/zinc/09/88/62/1073098862.db2.gz JMKSATNDHYMSGC-UHFFFAOYSA-N 1 2 440.551 -0.385 20 0 IBADLO CC(C)(CNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)[NH+]1CCOCC1 ZINC000030021959 1071215349 /nfs/dbraw/zinc/21/53/49/1071215349.db2.gz SOUMXEQOSZTFAJ-UHFFFAOYSA-N 1 2 426.539 -0.140 20 0 IBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000030132091 1073098915 /nfs/dbraw/zinc/09/89/15/1073098915.db2.gz VQJCKIMSCFEWHF-UHFFFAOYSA-N 1 2 446.595 -0.214 20 0 IBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000030133412 1073098935 /nfs/dbraw/zinc/09/89/35/1073098935.db2.gz DBZYBZVSCPWQPP-UHFFFAOYSA-N 1 2 445.630 -0.161 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000030338568 1073099441 /nfs/dbraw/zinc/09/94/41/1073099441.db2.gz BGBXRGGVRJKXBB-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000030338571 1071620567 /nfs/dbraw/zinc/62/05/67/1071620567.db2.gz PSAMBLNFSUGXRM-UHFFFAOYSA-N 1 2 432.568 -0.198 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030338596 1073099494 /nfs/dbraw/zinc/09/94/94/1073099494.db2.gz YXTSAEVTMQJMCL-UHFFFAOYSA-N 1 2 432.568 -0.116 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030338600 1071257500 /nfs/dbraw/zinc/25/75/00/1071257500.db2.gz GPWHMTRXANIUCO-UHFFFAOYSA-N 1 2 430.552 -0.312 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n(C)c1=O ZINC000030377112 1071258346 /nfs/dbraw/zinc/25/83/46/1071258346.db2.gz AIUSEDNIXSLIEB-UHFFFAOYSA-N 1 2 425.486 -0.676 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000030387659 1073250301 /nfs/dbraw/zinc/25/03/01/1073250301.db2.gz VVHSXEAYURZZIE-UHFFFAOYSA-N 1 2 443.570 -0.175 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000030424547 1071258377 /nfs/dbraw/zinc/25/83/77/1071258377.db2.gz GUCBXQNRZBXEAQ-UHFFFAOYSA-N 1 2 432.568 -0.136 20 0 IBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1-n1cnnn1 ZINC000030694867 1071277936 /nfs/dbraw/zinc/27/79/36/1071277936.db2.gz KLHPPONBLRUDKO-UHFFFAOYSA-N 1 2 434.526 -0.779 20 0 IBADLO Cc1nn(C)c2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc12 ZINC000030694946 1073099705 /nfs/dbraw/zinc/09/97/05/1073099705.db2.gz HLJCYCPCQOOIFO-UHFFFAOYSA-N 1 2 435.554 -0.165 20 0 IBADLO Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695248 1073100351 /nfs/dbraw/zinc/10/03/51/1073100351.db2.gz HBJBANGDVZDPSR-UHFFFAOYSA-N 1 2 448.549 -0.659 20 0 IBADLO Cc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c(=O)n2c1 ZINC000030695598 1073100322 /nfs/dbraw/zinc/10/03/22/1073100322.db2.gz VJIKCBSEYFCYCG-UHFFFAOYSA-N 1 2 434.522 -0.747 20 0 IBADLO Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c12 ZINC000030696316 1073100313 /nfs/dbraw/zinc/10/03/13/1073100313.db2.gz QALUNXQWCAARRT-UHFFFAOYSA-N 1 2 435.554 -0.165 20 0 IBADLO CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000030696546 1073100309 /nfs/dbraw/zinc/10/03/09/1073100309.db2.gz BZHJLXKVOXDQJT-MRXNPFEDSA-N 1 2 443.595 -0.048 20 0 IBADLO CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000030696553 1073100346 /nfs/dbraw/zinc/10/03/46/1073100346.db2.gz BZHJLXKVOXDQJT-INIZCTEOSA-N 1 2 443.595 -0.048 20 0 IBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)c1ccccc1 ZINC000030696588 1073100356 /nfs/dbraw/zinc/10/03/56/1073100356.db2.gz HYVHUQYSPXAZHA-KRWDZBQOSA-N 1 2 437.566 -0.169 20 0 IBADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)c1ccccc1 ZINC000030696599 1073100336 /nfs/dbraw/zinc/10/03/36/1073100336.db2.gz HYVHUQYSPXAZHA-QGZVFWFLSA-N 1 2 437.566 -0.169 20 0 IBADLO C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030696702 1073100286 /nfs/dbraw/zinc/10/02/86/1073100286.db2.gz WNJZOQFVLTVDKQ-CQSZACIVSA-N 1 2 429.568 -0.497 20 0 IBADLO C[C@H](NC(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030696711 1071651335 /nfs/dbraw/zinc/65/13/35/1071651335.db2.gz WNJZOQFVLTVDKQ-AWEZNQCLSA-N 1 2 429.568 -0.497 20 0 IBADLO C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030696844 1073118189 /nfs/dbraw/zinc/11/81/89/1073118189.db2.gz LFOIHVYPBHHGMO-UHFFFAOYSA-N 1 2 433.534 -0.251 20 0 IBADLO CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000030696868 1073100295 /nfs/dbraw/zinc/10/02/95/1073100295.db2.gz NQQSXYMJNWIXKN-LJQANCHMSA-N 1 2 437.566 -0.110 20 0 IBADLO CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000030696875 1073100277 /nfs/dbraw/zinc/10/02/77/1073100277.db2.gz NQQSXYMJNWIXKN-IBGZPJMESA-N 1 2 437.566 -0.110 20 0 IBADLO CC(=O)N1CCc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc21 ZINC000030697262 1073100329 /nfs/dbraw/zinc/10/03/29/1073100329.db2.gz SSEBKRANGRNGNT-UHFFFAOYSA-N 1 2 435.550 -0.154 20 0 IBADLO COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030697757 1073100763 /nfs/dbraw/zinc/10/07/63/1073100763.db2.gz IZKXKPDZKCMYQF-UHFFFAOYSA-N 1 2 439.538 -0.939 20 0 IBADLO CCc1[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1C(=O)OC ZINC000030698167 1073100831 /nfs/dbraw/zinc/10/08/31/1073100831.db2.gz HLDKCVFYYUHPAP-UHFFFAOYSA-N 1 2 441.554 -0.078 20 0 IBADLO COc1cc(OC)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000030698468 1073100684 /nfs/dbraw/zinc/10/06/84/1073100684.db2.gz WMBZDUKKMSVHQU-UHFFFAOYSA-N 1 2 442.538 -0.038 20 0 IBADLO COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000030698559 1072601844 /nfs/dbraw/zinc/60/18/44/1072601844.db2.gz FDEGXYBOYPFKML-UHFFFAOYSA-N 1 2 426.539 -0.117 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CC(N)=O)C(C)C)CC2)c1 ZINC000031345836 1073102408 /nfs/dbraw/zinc/10/24/08/1073102408.db2.gz NWHBVOLBWWFVPW-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](CC(N)=O)C(C)C)CC2)c1 ZINC000031345836 1073102405 /nfs/dbraw/zinc/10/24/05/1073102405.db2.gz NWHBVOLBWWFVPW-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000031345904 1073102331 /nfs/dbraw/zinc/10/23/31/1073102331.db2.gz JVJJTSKRGICYEL-UHFFFAOYSA-N 1 2 440.522 -0.514 20 0 IBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000031345904 1073102330 /nfs/dbraw/zinc/10/23/30/1073102330.db2.gz JVJJTSKRGICYEL-UHFFFAOYSA-N 1 2 440.522 -0.514 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)c2c(=O)n(C)c1=O ZINC000031938810 1073103633 /nfs/dbraw/zinc/10/36/33/1073103633.db2.gz XJNKHPCBEVINAY-IBGZPJMESA-N 1 2 436.538 -0.852 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)c2c(=O)n(C)c1=O ZINC000031938813 1073103655 /nfs/dbraw/zinc/10/36/55/1073103655.db2.gz XJNKHPCBEVINAY-LJQANCHMSA-N 1 2 436.538 -0.852 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000031939186 1073103590 /nfs/dbraw/zinc/10/35/90/1073103590.db2.gz OJBPLXWQMLVBKT-SFHVURJKSA-N 1 2 444.579 -0.027 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000031939189 1073103600 /nfs/dbraw/zinc/10/36/00/1073103600.db2.gz OJBPLXWQMLVBKT-GOSISDBHSA-N 1 2 444.579 -0.027 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c(=O)n2C ZINC000032431625 1072869795 /nfs/dbraw/zinc/86/97/95/1072869795.db2.gz CIHCHVXQVBOKFS-UHFFFAOYSA-N 1 2 439.476 -0.540 20 0 IBADLO Cn1cnc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000032439675 1072695308 /nfs/dbraw/zinc/69/53/08/1072695308.db2.gz QSRKNERNIBDZFM-UHFFFAOYSA-N 1 2 448.958 -0.101 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000032716989 1073104704 /nfs/dbraw/zinc/10/47/04/1073104704.db2.gz SLZAIFPSNPUWRT-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO NC(=O)COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032717738 1073104710 /nfs/dbraw/zinc/10/47/10/1073104710.db2.gz VIYNFRWHGVAGNW-UHFFFAOYSA-N 1 2 447.517 -0.173 20 0 IBADLO NC(=O)COc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718065 1073104718 /nfs/dbraw/zinc/10/47/18/1073104718.db2.gz VVARYTHFNRASHZ-UHFFFAOYSA-N 1 2 447.517 -0.173 20 0 IBADLO NC(=O)COc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000032718128 1073105272 /nfs/dbraw/zinc/10/52/72/1073105272.db2.gz MOSVJDWSMIJJMI-UHFFFAOYSA-N 1 2 447.517 -0.173 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718154 1072875421 /nfs/dbraw/zinc/87/54/21/1072875421.db2.gz XRHRBXHBJVXZOJ-OAHLLOKOSA-N 1 2 445.567 -0.926 20 0 IBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718155 1072875459 /nfs/dbraw/zinc/87/54/59/1072875459.db2.gz XRHRBXHBJVXZOJ-HNNXBMFYSA-N 1 2 445.567 -0.926 20 0 IBADLO O=C(CNC(=O)c1ccncc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718200 1072875573 /nfs/dbraw/zinc/87/55/73/1072875573.db2.gz RFELZRFZQZFLFQ-UHFFFAOYSA-N 1 2 432.506 -0.525 20 0 IBADLO Cc1nc(C)c(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]1 ZINC000032718331 1073105346 /nfs/dbraw/zinc/10/53/46/1073105346.db2.gz XXUSMEFDWGADKU-UHFFFAOYSA-N 1 2 434.522 -0.408 20 0 IBADLO O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000036647788 1071003539 /nfs/dbraw/zinc/00/35/39/1071003539.db2.gz UQCJGIFTZZYCQW-UHFFFAOYSA-N 1 2 445.564 -0.066 20 0 IBADLO O=S(=O)(CCNC(=S)NCCN1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036847259 1074119522 /nfs/dbraw/zinc/11/95/22/1074119522.db2.gz ZDTIVJLCNBILEG-UHFFFAOYSA-N 1 2 442.611 -0.670 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000038522360 1072875947 /nfs/dbraw/zinc/87/59/47/1072875947.db2.gz MNHLHWCRUDXBCH-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000038522360 1072875940 /nfs/dbraw/zinc/87/59/40/1072875940.db2.gz MNHLHWCRUDXBCH-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO CCCC1N=NC(=S)N1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046680568 1072266218 /nfs/dbraw/zinc/26/62/18/1072266218.db2.gz ACJMNPAVJKHUMU-UHFFFAOYSA-N 1 2 431.588 -0.844 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nnc2n1CCC2 ZINC000057668805 1073107833 /nfs/dbraw/zinc/10/78/33/1073107833.db2.gz QYTFMQSVXWGYNQ-UHFFFAOYSA-N 1 2 434.526 -0.430 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000057921339 1071318162 /nfs/dbraw/zinc/31/81/62/1071318162.db2.gz SFOKNPVUDJJAEG-UHFFFAOYSA-N 1 2 434.522 -0.036 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000058220721 1072892329 /nfs/dbraw/zinc/89/23/29/1072892329.db2.gz NWORWRPXZCPJJO-UHFFFAOYSA-N 1 2 439.582 -0.105 20 0 IBADLO CS(=O)(=O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058235865 1073108331 /nfs/dbraw/zinc/10/83/31/1073108331.db2.gz RQJHEJWVBAOPGO-UHFFFAOYSA-N 1 2 433.556 -0.733 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000058322456 1072242886 /nfs/dbraw/zinc/24/28/86/1072242886.db2.gz WTAJBBUAAZLHDH-UHFFFAOYSA-N 1 2 443.424 -0.250 20 0 IBADLO CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000058861150 1073108995 /nfs/dbraw/zinc/10/89/95/1073108995.db2.gz XVMMIGKXUBDHJR-KRWDZBQOSA-N 1 2 429.587 -0.196 20 0 IBADLO CN(C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1)S(C)(=O)=O ZINC000058922996 1073109643 /nfs/dbraw/zinc/10/96/43/1073109643.db2.gz ZISSBDURRFEXFU-UHFFFAOYSA-N 1 2 431.603 -0.599 20 0 IBADLO CC(C)N(CCCNC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1)S(C)(=O)=O ZINC000058925604 1073109587 /nfs/dbraw/zinc/10/95/87/1073109587.db2.gz ADHYTURZJHTHQW-UHFFFAOYSA-N 1 2 426.605 -0.482 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000059038767 1072866649 /nfs/dbraw/zinc/86/66/49/1072866649.db2.gz SFQLBDVIFNSZFU-UHFFFAOYSA-N 1 2 443.548 -0.442 20 0 IBADLO CCOc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000059385287 1073259173 /nfs/dbraw/zinc/25/91/73/1073259173.db2.gz CLFXBFRQPLPPDW-GOSISDBHSA-N 1 2 442.582 -0.065 20 0 IBADLO CCOc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000059385290 1073258955 /nfs/dbraw/zinc/25/89/55/1073258955.db2.gz CLFXBFRQPLPPDW-SFHVURJKSA-N 1 2 442.582 -0.065 20 0 IBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000059385393 1073259127 /nfs/dbraw/zinc/25/91/27/1073259127.db2.gz WWHQQYAVGRFSQX-KRWDZBQOSA-N 1 2 445.586 -0.960 20 0 IBADLO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000059385394 1073259065 /nfs/dbraw/zinc/25/90/65/1073259065.db2.gz WWHQQYAVGRFSQX-QGZVFWFLSA-N 1 2 445.586 -0.960 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000060271951 1072273603 /nfs/dbraw/zinc/27/36/03/1072273603.db2.gz RPKYBATXJOXTAZ-UHFFFAOYSA-N 1 2 426.539 -0.020 20 0 IBADLO NC(=O)NC(=O)C[NH+](CC(=O)NC(N)=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000060600669 1073150032 /nfs/dbraw/zinc/15/00/32/1073150032.db2.gz MUSLPLIGLUFGDM-UHFFFAOYSA-N 1 2 445.402 -0.239 20 0 IBADLO O=C(C[NH+](CC(=O)N1CCNC1=O)C1CCN(c2ccccn2)CC1)N1CCNC1=O ZINC000060600704 1072874548 /nfs/dbraw/zinc/87/45/48/1072874548.db2.gz IHRDOUCICFHZGG-UHFFFAOYSA-N 1 2 429.481 -0.544 20 0 IBADLO COc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000060623779 1073110128 /nfs/dbraw/zinc/11/01/28/1073110128.db2.gz LHKZHLZIPUXFTH-UHFFFAOYSA-N 1 2 441.554 -0.107 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000060843153 1072874999 /nfs/dbraw/zinc/87/49/99/1072874999.db2.gz GJUYTYMOVDEKNY-UHFFFAOYSA-N 1 2 429.521 -0.120 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000061247289 1072301227 /nfs/dbraw/zinc/30/12/27/1072301227.db2.gz CTAXIPVZQDHJHF-UHFFFAOYSA-N 1 2 441.535 -0.353 20 0 IBADLO CC(C)C(=O)NCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000061285958 1073111442 /nfs/dbraw/zinc/11/14/42/1073111442.db2.gz XLBVRJNIPJFVIF-UHFFFAOYSA-N 1 2 426.543 -0.395 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cnc2n(C)c1=O ZINC000061381332 1073112014 /nfs/dbraw/zinc/11/20/14/1073112014.db2.gz PYAXNEARUNZLHQ-IBGZPJMESA-N 1 2 434.522 -0.038 20 0 IBADLO CC(C)(C)NC(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000061495241 1073112058 /nfs/dbraw/zinc/11/20/58/1073112058.db2.gz PBLPJFDHQPTDLG-UHFFFAOYSA-N 1 2 426.543 -0.253 20 0 IBADLO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCn3cc[nH+]c3)c2)CC1 ZINC000061899272 1073112602 /nfs/dbraw/zinc/11/26/02/1073112602.db2.gz DQYYKSOTGQGLOF-UHFFFAOYSA-N 1 2 434.522 -0.036 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000061961507 1073113062 /nfs/dbraw/zinc/11/30/62/1073113062.db2.gz PFOUHVSCLRCIBC-KRWDZBQOSA-N 1 2 440.570 -0.447 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[NH+]1CCOCC1 ZINC000062015776 1073113139 /nfs/dbraw/zinc/11/31/39/1073113139.db2.gz BZXQYVFDVXSVFO-QGZVFWFLSA-N 1 2 433.509 -0.297 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc2)CC1 ZINC000062197391 1073113617 /nfs/dbraw/zinc/11/36/17/1073113617.db2.gz LLMRHWYZXXIKFH-UHFFFAOYSA-N 1 2 425.555 -0.182 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000062205019 1072603227 /nfs/dbraw/zinc/60/32/27/1072603227.db2.gz OMAAUEBHOYVZEA-UHFFFAOYSA-N 1 2 425.555 -0.182 20 0 IBADLO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000062333188 1072356379 /nfs/dbraw/zinc/35/63/79/1072356379.db2.gz YVSYVZCCNGLCLZ-UHFFFAOYSA-N 1 2 443.424 -0.332 20 0 IBADLO C[C@H](COCC(F)(F)F)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000062658967 1073114126 /nfs/dbraw/zinc/11/41/26/1073114126.db2.gz CABCLZSSUFNLKF-CYBMUJFWSA-N 1 2 431.481 -0.227 20 0 IBADLO Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(=O)n(C)c1=O ZINC000063302008 1073114679 /nfs/dbraw/zinc/11/46/79/1073114679.db2.gz VYDJAMVQFUWAEO-UHFFFAOYSA-N 1 2 433.534 -0.019 20 0 IBADLO CNC(=O)C1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000063329440 1073114634 /nfs/dbraw/zinc/11/46/34/1073114634.db2.gz SZFVSHXLIGJFOJ-UHFFFAOYSA-N 1 2 430.575 -0.889 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000063492895 1073114657 /nfs/dbraw/zinc/11/46/57/1073114657.db2.gz DVPZWNFQOMSXLY-OAHLLOKOSA-N 1 2 429.495 -0.650 20 0 IBADLO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000063517834 1070958157 /nfs/dbraw/zinc/95/81/57/1070958157.db2.gz IIVSPXDSRWLMNL-QGOAFFKASA-N 1 2 426.539 -0.557 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)cc1 ZINC000063759391 1072397225 /nfs/dbraw/zinc/39/72/25/1072397225.db2.gz UFEYCJPTQYAYRL-UHFFFAOYSA-N 1 2 437.566 -0.679 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)cc1 ZINC000063759391 1072397220 /nfs/dbraw/zinc/39/72/20/1072397220.db2.gz UFEYCJPTQYAYRL-UHFFFAOYSA-N 1 2 437.566 -0.679 20 0 IBADLO CCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000063809718 1073115244 /nfs/dbraw/zinc/11/52/44/1073115244.db2.gz SKAMPNPVLAPWBO-UHFFFAOYSA-N 1 2 444.579 -0.270 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCCCCC1 ZINC000063854767 1073115255 /nfs/dbraw/zinc/11/52/55/1073115255.db2.gz SHNSAEUALASIBS-HXUWFJFHSA-N 1 2 449.596 -0.286 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCCCC1 ZINC000063854804 1073115225 /nfs/dbraw/zinc/11/52/25/1073115225.db2.gz IGSLIZUBETZYCM-LJQANCHMSA-N 1 2 435.569 -0.676 20 0 IBADLO Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854819 1072400319 /nfs/dbraw/zinc/40/03/19/1072400319.db2.gz BGDYVKWDTCJHAK-GFCCVEGCSA-N 1 2 442.314 -0.271 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854929 1072547182 /nfs/dbraw/zinc/54/71/82/1072547182.db2.gz BXQZKRBNTISERZ-KRWDZBQOSA-N 1 2 438.550 -0.266 20 0 IBADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc21 ZINC000063863441 1073115190 /nfs/dbraw/zinc/11/51/90/1073115190.db2.gz RCLLFJUIKDCWHZ-HNNXBMFYSA-N 1 2 437.522 -0.628 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064024408 1072856405 /nfs/dbraw/zinc/85/64/05/1072856405.db2.gz RQWOXTWYVBAYJO-GOSISDBHSA-N 1 2 438.550 -0.467 20 0 IBADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064025350 1072856283 /nfs/dbraw/zinc/85/62/83/1072856283.db2.gz JXGLWHKDKFRYSK-WOJBJXKFSA-N 1 2 449.596 -0.288 20 0 IBADLO Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n2ncnc2n1 ZINC000064032654 1073115918 /nfs/dbraw/zinc/11/59/18/1073115918.db2.gz AHGZLHUTASTEKH-QGZVFWFLSA-N 1 2 442.524 -0.738 20 0 IBADLO CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064034242 1072858023 /nfs/dbraw/zinc/85/80/23/1072858023.db2.gz LVUQZDMUFWSPPQ-IBGZPJMESA-N 1 2 438.569 -0.052 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064034260 1070806240 /nfs/dbraw/zinc/80/62/40/1070806240.db2.gz SRPSDSISAHHSNP-GOSISDBHSA-N 1 2 438.550 -0.597 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064034788 1072858350 /nfs/dbraw/zinc/85/83/50/1072858350.db2.gz TUFQHCXALXPSDP-QGZVFWFLSA-N 1 2 438.550 -0.266 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000064034879 1072858625 /nfs/dbraw/zinc/85/86/25/1072858625.db2.gz VRQJVIHDMTXAEZ-HXUWFJFHSA-N 1 2 443.548 -0.390 20 0 IBADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064034897 1072858566 /nfs/dbraw/zinc/85/85/66/1072858566.db2.gz OXTLAQWEWZMUBK-GOSISDBHSA-N 1 2 438.550 -0.597 20 0 IBADLO CN(C)C(=O)COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064035889 1072858531 /nfs/dbraw/zinc/85/85/31/1072858531.db2.gz KSBYXMZBORTSQC-GOSISDBHSA-N 1 2 432.521 -0.050 20 0 IBADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064040149 1072858397 /nfs/dbraw/zinc/85/83/97/1072858397.db2.gz CYMPHJMZRSCJSG-DOTOQJQBSA-N 1 2 438.550 -0.047 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000064046706 1072859430 /nfs/dbraw/zinc/85/94/30/1072859430.db2.gz GPCKZPJGJWGQJR-YLJYHZDGSA-N 1 2 426.583 -0.509 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2)CC1 ZINC000064052359 1073115855 /nfs/dbraw/zinc/11/58/55/1073115855.db2.gz PTZFURUXCUMEOQ-LJQANCHMSA-N 1 2 443.548 -0.368 20 0 IBADLO Cc1cc(-n2c(C)cn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2=O)no1 ZINC000064110560 1072409305 /nfs/dbraw/zinc/40/93/05/1072409305.db2.gz KSYZMGZKYKAEPH-UHFFFAOYSA-N 1 2 439.542 -0.689 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000064297041 1073115869 /nfs/dbraw/zinc/11/58/69/1073115869.db2.gz SMNZFKIRTTVQFG-UHFFFAOYSA-N 1 2 437.566 -0.086 20 0 IBADLO CCN(CC)C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064413984 1070809917 /nfs/dbraw/zinc/80/99/17/1070809917.db2.gz JFMMXPCPERRJKX-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000064595910 1073116208 /nfs/dbraw/zinc/11/62/08/1073116208.db2.gz NDXCTYJDUVRZIP-UHFFFAOYSA-N 1 2 432.568 -0.136 20 0 IBADLO COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000064656085 1073142365 /nfs/dbraw/zinc/14/23/65/1073142365.db2.gz DSYCSHWJZMDVOA-KRWDZBQOSA-N 1 2 438.550 -0.117 20 0 IBADLO Cn1cc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c(=O)n(C)c1=O ZINC000065012079 1073117342 /nfs/dbraw/zinc/11/73/42/1073117342.db2.gz OIPNDDRETBHJHF-UHFFFAOYSA-N 1 2 438.506 -0.727 20 0 IBADLO CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000065234201 1071049345 /nfs/dbraw/zinc/04/93/45/1071049345.db2.gz UPAJWORGHCSGDA-WPBJZHHJSA-N 1 2 433.552 -0.409 20 0 IBADLO CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000065234201 1071049342 /nfs/dbraw/zinc/04/93/42/1071049342.db2.gz UPAJWORGHCSGDA-WPBJZHHJSA-N 1 2 433.552 -0.409 20 0 IBADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000065253041 1070843935 /nfs/dbraw/zinc/84/39/35/1070843935.db2.gz FNRKGIBUXXLBQN-QZTJIDSGSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000065253041 1070843904 /nfs/dbraw/zinc/84/39/04/1070843904.db2.gz FNRKGIBUXXLBQN-QZTJIDSGSA-N 1 2 428.599 -0.054 20 0 IBADLO CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000065401634 1073119326 /nfs/dbraw/zinc/11/93/26/1073119326.db2.gz NKXMHXHOKWFNJW-UHFFFAOYSA-N 1 2 425.555 -0.182 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C ZINC000065402824 1073570256 /nfs/dbraw/zinc/57/02/56/1073570256.db2.gz WGHHDUXAFFHVSK-UHFFFAOYSA-N 1 2 426.433 -0.092 20 0 IBADLO CCCC[C@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065586014 1073185771 /nfs/dbraw/zinc/18/57/71/1073185771.db2.gz AETPPGCJHNXFDZ-HNNXBMFYSA-N 1 2 426.543 -0.123 20 0 IBADLO CN(C)C(=O)CN1Cc2c(C(=O)N3CC[NH+](C)CC3)ncn2-c2ccccc2S1(=O)=O ZINC000096147543 1074127454 /nfs/dbraw/zinc/12/74/54/1074127454.db2.gz WWFCDZROHGITKT-UHFFFAOYSA-N 1 2 446.533 -0.148 20 0 IBADLO O=c1[nH]c2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2c(=O)[nH]1 ZINC000105826506 1073001029 /nfs/dbraw/zinc/00/10/29/1073001029.db2.gz YWRCEVOOAONQRI-UHFFFAOYSA-N 1 2 445.505 -0.503 20 0 IBADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000106042576 1071403628 /nfs/dbraw/zinc/40/36/28/1071403628.db2.gz ATURJKVBDQKPIH-UHFFFAOYSA-N 1 2 425.511 -0.691 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000106042667 1073001683 /nfs/dbraw/zinc/00/16/83/1073001683.db2.gz ABNNQHAWIUBROZ-UHFFFAOYSA-N 1 2 426.495 -0.062 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000106058949 1073002228 /nfs/dbraw/zinc/00/22/28/1073002228.db2.gz NAVUPEYSAZPZCK-UHFFFAOYSA-N 1 2 444.579 -0.040 20 0 IBADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000106141420 1073002457 /nfs/dbraw/zinc/00/24/57/1073002457.db2.gz GOVYDWWTMPITSA-UHFFFAOYSA-N 1 2 438.510 -0.915 20 0 IBADLO COCCNC(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000108079577 1073140364 /nfs/dbraw/zinc/14/03/64/1073140364.db2.gz CMPRCOQREZRBET-UHFFFAOYSA-N 1 2 447.580 -0.280 20 0 IBADLO COc1ccccc1COC[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000108103614 1073140308 /nfs/dbraw/zinc/14/03/08/1073140308.db2.gz QGEFJMQMZJJUIE-IBGZPJMESA-N 1 2 442.582 -0.318 20 0 IBADLO COc1ccccc1COC[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000108103616 1073140407 /nfs/dbraw/zinc/14/04/07/1073140407.db2.gz QGEFJMQMZJJUIE-LJQANCHMSA-N 1 2 442.582 -0.318 20 0 IBADLO COc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1OCC(N)=O ZINC000108483209 1073143844 /nfs/dbraw/zinc/14/38/44/1073143844.db2.gz NYFVYLREKZNVRX-UHFFFAOYSA-N 1 2 444.492 -0.090 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000108512400 1073144388 /nfs/dbraw/zinc/14/43/88/1073144388.db2.gz CKDXQEYKUCFUSZ-AWEZNQCLSA-N 1 2 437.526 -0.313 20 0 IBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000108927806 1072588220 /nfs/dbraw/zinc/58/82/20/1072588220.db2.gz YPSFAFMCURAECT-UHFFFAOYSA-N 1 2 433.575 -0.119 20 0 IBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000108927806 1072588209 /nfs/dbraw/zinc/58/82/09/1072588209.db2.gz YPSFAFMCURAECT-UHFFFAOYSA-N 1 2 433.575 -0.119 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C[NH+]3CCN(C)CC3)c1)c(=O)n2C ZINC000108943184 1070805191 /nfs/dbraw/zinc/80/51/91/1070805191.db2.gz HUFWAMLIXGGVTL-UHFFFAOYSA-N 1 2 425.493 -0.180 20 0 IBADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000109013409 1070813089 /nfs/dbraw/zinc/81/30/89/1070813089.db2.gz WSAQSRDIYRKHOR-UHFFFAOYSA-N 1 2 429.510 -0.057 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000109120327 1070820760 /nfs/dbraw/zinc/82/07/60/1070820760.db2.gz OWHSPLKDOLTAOD-UHFFFAOYSA-N 1 2 426.539 -0.105 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000109120327 1070820735 /nfs/dbraw/zinc/82/07/35/1070820735.db2.gz OWHSPLKDOLTAOD-UHFFFAOYSA-N 1 2 426.539 -0.105 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000109215554 1070827887 /nfs/dbraw/zinc/82/78/87/1070827887.db2.gz SUKQZSAHAXYOQB-UHFFFAOYSA-N 1 2 443.595 -0.012 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000109215554 1070827860 /nfs/dbraw/zinc/82/78/60/1070827860.db2.gz SUKQZSAHAXYOQB-UHFFFAOYSA-N 1 2 443.595 -0.012 20 0 IBADLO CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000109310070 1070830142 /nfs/dbraw/zinc/83/01/42/1070830142.db2.gz CQCJDUHHALDYSO-UHFFFAOYSA-N 1 2 429.568 -0.366 20 0 IBADLO Cn1c2[nH]c(CCC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c(=O)[nH]c1=O ZINC000109412818 1070840176 /nfs/dbraw/zinc/84/01/76/1070840176.db2.gz QSZYQGLMEIHOPW-OAHLLOKOSA-N 1 2 426.477 -0.100 20 0 IBADLO Cn1c2[nH]c(CCC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c(=O)[nH]c1=O ZINC000109412818 1070840155 /nfs/dbraw/zinc/84/01/55/1070840155.db2.gz QSZYQGLMEIHOPW-OAHLLOKOSA-N 1 2 426.477 -0.100 20 0 IBADLO Cn1c2[nH]c(CCC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c(=O)[nH]c1=O ZINC000109412819 1070840382 /nfs/dbraw/zinc/84/03/82/1070840382.db2.gz QSZYQGLMEIHOPW-HNNXBMFYSA-N 1 2 426.477 -0.100 20 0 IBADLO Cn1c2[nH]c(CCC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c(=O)[nH]c1=O ZINC000109412819 1070840352 /nfs/dbraw/zinc/84/03/52/1070840352.db2.gz QSZYQGLMEIHOPW-HNNXBMFYSA-N 1 2 426.477 -0.100 20 0 IBADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000109638126 1070849043 /nfs/dbraw/zinc/84/90/43/1070849043.db2.gz XUBDIAGNNRNLOQ-UHFFFAOYSA-N 1 2 432.568 -0.650 20 0 IBADLO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000110793769 1071089203 /nfs/dbraw/zinc/08/92/03/1071089203.db2.gz QVSKWPJRTHIMMM-AWEZNQCLSA-N 1 2 437.541 -0.119 20 0 IBADLO CC(C)OCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000110793772 1073119910 /nfs/dbraw/zinc/11/99/10/1073119910.db2.gz QVSKWPJRTHIMMM-CQSZACIVSA-N 1 2 437.541 -0.119 20 0 IBADLO COCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000110984573 1072149874 /nfs/dbraw/zinc/14/98/74/1072149874.db2.gz YMYOTZCWQKDWRP-UHFFFAOYSA-N 1 2 437.541 -0.167 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cn1 ZINC000115943615 1072539142 /nfs/dbraw/zinc/53/91/42/1072539142.db2.gz HNQLUVJNVWHJRQ-UHFFFAOYSA-N 1 2 437.522 -0.274 20 0 IBADLO CN(CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1cccnc1 ZINC000116280624 1072542407 /nfs/dbraw/zinc/54/24/07/1072542407.db2.gz WGIMLSDGIRKPLS-UHFFFAOYSA-N 1 2 446.533 -0.048 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1C ZINC000116507321 1072869908 /nfs/dbraw/zinc/86/99/08/1072869908.db2.gz UAUBSFYNKIPRGV-QGZVFWFLSA-N 1 2 431.584 -0.279 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1C ZINC000116507324 1072870094 /nfs/dbraw/zinc/87/00/94/1072870094.db2.gz UAUBSFYNKIPRGV-KRWDZBQOSA-N 1 2 431.584 -0.279 20 0 IBADLO O=C(CCn1cc[nH]c(=O)c1=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000116762829 1074447487 /nfs/dbraw/zinc/44/74/87/1074447487.db2.gz MEZOYJNQQWQBCY-UHFFFAOYSA-N 1 2 429.477 -0.096 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000117643841 1073216544 /nfs/dbraw/zinc/21/65/44/1073216544.db2.gz PAYMHRFMZIHKSL-UHFFFAOYSA-N 1 2 429.529 -0.317 20 0 IBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000302806399 1072149366 /nfs/dbraw/zinc/14/93/66/1072149366.db2.gz OERSRLPWEPGFAO-CALCHBBNSA-N 1 2 445.568 -0.444 20 0 IBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000302806400 1072149337 /nfs/dbraw/zinc/14/93/37/1072149337.db2.gz OERSRLPWEPGFAO-IAGOWNOFSA-N 1 2 445.568 -0.444 20 0 IBADLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000302806401 1072149349 /nfs/dbraw/zinc/14/93/49/1072149349.db2.gz OERSRLPWEPGFAO-IRXDYDNUSA-N 1 2 445.568 -0.444 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)NC4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000303125105 1072568861 /nfs/dbraw/zinc/56/88/61/1072568861.db2.gz AAMSQDBOJLWEFB-UHFFFAOYSA-N 1 2 431.541 -0.500 20 0 IBADLO Cc1ccc(CCS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000409578355 1074493691 /nfs/dbraw/zinc/49/36/91/1074493691.db2.gz ACBLGPXTZAJDDO-UHFFFAOYSA-N 1 2 430.596 -0.023 20 0 IBADLO CCOc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000409582138 1074493849 /nfs/dbraw/zinc/49/38/49/1074493849.db2.gz YMTSJESLGCGKDF-UHFFFAOYSA-N 1 2 432.568 -0.116 20 0 IBADLO O=C1CN(c2nc(N3CCOCC3)nc(N3CCN(C4CC4)C(=O)C3)[nH+]2)CCN1C1CC1 ZINC000409638334 1074495016 /nfs/dbraw/zinc/49/50/16/1074495016.db2.gz MCAMMYHKMWQJDF-UHFFFAOYSA-N 1 2 442.524 -0.670 20 0 IBADLO O=C1CN(c2nc(N3CCOCC3)[nH+]c(N3CCN(C4CC4)C(=O)C3)n2)CCN1C1CC1 ZINC000409638334 1074495006 /nfs/dbraw/zinc/49/50/06/1074495006.db2.gz MCAMMYHKMWQJDF-UHFFFAOYSA-N 1 2 442.524 -0.670 20 0 IBADLO CC(=O)Nc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000410167301 1074500853 /nfs/dbraw/zinc/50/08/53/1074500853.db2.gz PUPHQUHUTBUYPS-UHFFFAOYSA-N 1 2 438.554 -0.036 20 0 IBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000410170116 1074501235 /nfs/dbraw/zinc/50/12/35/1074501235.db2.gz YQVZNPSTYLNJHA-UHFFFAOYSA-N 1 2 430.509 -0.068 20 0 IBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000410175719 1074501682 /nfs/dbraw/zinc/50/16/82/1074501682.db2.gz UHAPFGCVFDTDIP-HNNXBMFYSA-N 1 2 430.509 -0.070 20 0 IBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000410175721 1074501764 /nfs/dbraw/zinc/50/17/64/1074501764.db2.gz UHAPFGCVFDTDIP-OAHLLOKOSA-N 1 2 430.509 -0.070 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000410194081 1074503241 /nfs/dbraw/zinc/50/32/41/1074503241.db2.gz JMIPJIKPMATRIP-HNNXBMFYSA-N 1 2 445.567 -0.733 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000410194082 1074503197 /nfs/dbraw/zinc/50/31/97/1074503197.db2.gz JMIPJIKPMATRIP-OAHLLOKOSA-N 1 2 445.567 -0.733 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)C(F)(F)F ZINC000410203697 1074503183 /nfs/dbraw/zinc/50/31/83/1074503183.db2.gz BNZZZVNRAVPJKB-GFCCVEGCSA-N 1 2 425.433 -0.244 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)C(F)(F)F ZINC000410203699 1074503228 /nfs/dbraw/zinc/50/32/28/1074503228.db2.gz BNZZZVNRAVPJKB-LBPRGKRZSA-N 1 2 425.433 -0.244 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000410213541 1074503714 /nfs/dbraw/zinc/50/37/14/1074503714.db2.gz GOURAWRFWJQTPF-CVEARBPZSA-N 1 2 425.559 -0.384 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000410213542 1074503705 /nfs/dbraw/zinc/50/37/05/1074503705.db2.gz GOURAWRFWJQTPF-HOTGVXAUSA-N 1 2 425.559 -0.384 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000410213543 1074503696 /nfs/dbraw/zinc/50/36/96/1074503696.db2.gz GOURAWRFWJQTPF-HZPDHXFCSA-N 1 2 425.559 -0.384 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000410213544 1074503736 /nfs/dbraw/zinc/50/37/36/1074503736.db2.gz GOURAWRFWJQTPF-JKSUJKDBSA-N 1 2 425.559 -0.384 20 0 IBADLO O=C(CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)NC1CC1 ZINC000410223555 1074504035 /nfs/dbraw/zinc/50/40/35/1074504035.db2.gz KCDMPBJLLRPVOK-UHFFFAOYSA-N 1 2 428.537 -0.067 20 0 IBADLO CC(C)C(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000410303754 1074504543 /nfs/dbraw/zinc/50/45/43/1074504543.db2.gz SJTSPBRCMNHAJM-UHFFFAOYSA-N 1 2 444.602 -0.547 20 0 IBADLO C[C@H](Sc1nncn1C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410327631 1074505152 /nfs/dbraw/zinc/50/51/52/1074505152.db2.gz KTAXYAPJHKCFJU-AWEZNQCLSA-N 1 2 439.567 -0.041 20 0 IBADLO C[C@@H](Sc1nncn1C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410327632 1074505084 /nfs/dbraw/zinc/50/50/84/1074505084.db2.gz KTAXYAPJHKCFJU-CQSZACIVSA-N 1 2 439.567 -0.041 20 0 IBADLO CCCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000426171451 1072030732 /nfs/dbraw/zinc/03/07/32/1072030732.db2.gz AWAGRVZWJRXISR-UHFFFAOYSA-N 1 2 444.583 -0.330 20 0 IBADLO CCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000426172807 1072031264 /nfs/dbraw/zinc/03/12/64/1072031264.db2.gz CYBIXGVWGYSVDH-UHFFFAOYSA-N 1 2 430.556 -0.720 20 0 IBADLO CC(C)c1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000426175538 1072031750 /nfs/dbraw/zinc/03/17/50/1072031750.db2.gz UEMOQDWLYFPRPN-UHFFFAOYSA-N 1 2 444.583 -0.159 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000426186024 1072032906 /nfs/dbraw/zinc/03/29/06/1072032906.db2.gz FXNXZYKZCUWQRZ-HNNXBMFYSA-N 1 2 444.579 -0.014 20 0 IBADLO Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)n1C ZINC000426266934 1072048113 /nfs/dbraw/zinc/04/81/13/1072048113.db2.gz MTYCSGJGYHNGOJ-UHFFFAOYSA-N 1 2 426.543 -0.987 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000426267435 1072048167 /nfs/dbraw/zinc/04/81/67/1072048167.db2.gz OXRPNFXLBDOZMH-DOMZBBRYSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000426267435 1072048159 /nfs/dbraw/zinc/04/81/59/1072048159.db2.gz OXRPNFXLBDOZMH-DOMZBBRYSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000426267437 1072048049 /nfs/dbraw/zinc/04/80/49/1072048049.db2.gz OXRPNFXLBDOZMH-IUODEOHRSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000426267437 1072048044 /nfs/dbraw/zinc/04/80/44/1072048044.db2.gz OXRPNFXLBDOZMH-IUODEOHRSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)CC1 ZINC000426267438 1072048209 /nfs/dbraw/zinc/04/82/09/1072048209.db2.gz OXRPNFXLBDOZMH-SWLSCSKDSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)CC1 ZINC000426267438 1072048206 /nfs/dbraw/zinc/04/82/06/1072048206.db2.gz OXRPNFXLBDOZMH-SWLSCSKDSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)CC1 ZINC000426267441 1072047994 /nfs/dbraw/zinc/04/79/94/1072047994.db2.gz OXRPNFXLBDOZMH-WFASDCNBSA-N 1 2 427.527 -0.290 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)CC1 ZINC000426267441 1072047986 /nfs/dbraw/zinc/04/79/86/1072047986.db2.gz OXRPNFXLBDOZMH-WFASDCNBSA-N 1 2 427.527 -0.290 20 0 IBADLO Nc1nsc(N2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)n1 ZINC000426282093 1072052825 /nfs/dbraw/zinc/05/28/25/1072052825.db2.gz GFLOCHJYLCPTAE-UHFFFAOYSA-N 1 2 445.553 0.086 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000426286596 1073126145 /nfs/dbraw/zinc/12/61/45/1073126145.db2.gz PYJZHJMDDJERON-UHFFFAOYSA-N 1 2 431.541 -0.289 20 0 IBADLO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000426345059 1072069602 /nfs/dbraw/zinc/06/96/02/1072069602.db2.gz CUZBCIYHFJSTMF-AOMKIAJQSA-N 1 2 449.552 -0.074 20 0 IBADLO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000426345062 1072069585 /nfs/dbraw/zinc/06/95/85/1072069585.db2.gz CUZBCIYHFJSTMF-KSFYIVLOSA-N 1 2 449.552 -0.074 20 0 IBADLO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000426345064 1072069563 /nfs/dbraw/zinc/06/95/63/1072069563.db2.gz CUZBCIYHFJSTMF-OPAMFIHVSA-N 1 2 449.552 -0.074 20 0 IBADLO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000426345066 1072069625 /nfs/dbraw/zinc/06/96/25/1072069625.db2.gz CUZBCIYHFJSTMF-ZHRRBRCNSA-N 1 2 449.552 -0.074 20 0 IBADLO C[C@]1(c2cccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000426363414 1072074486 /nfs/dbraw/zinc/07/44/86/1072074486.db2.gz VUNMXLJTKCVLAG-HRAATJIYSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@@]1(c2cccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000426363417 1072074391 /nfs/dbraw/zinc/07/43/91/1072074391.db2.gz VUNMXLJTKCVLAG-IERDGZPVSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@]1(c2cccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000426363418 1072074496 /nfs/dbraw/zinc/07/44/96/1072074496.db2.gz VUNMXLJTKCVLAG-IIBYNOLFSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@@]1(c2cccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000426363421 1072074533 /nfs/dbraw/zinc/07/45/33/1072074533.db2.gz VUNMXLJTKCVLAG-KKSFZXQISA-N 1 2 429.477 -0.596 20 0 IBADLO COC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000426474220 1072092642 /nfs/dbraw/zinc/09/26/42/1072092642.db2.gz ZXMLSNWOZVKLAC-UHFFFAOYSA-N 1 2 427.527 -0.332 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C(=O)NCCN2CCOC[C@@H]2C)CCOCC1 ZINC000426491763 1072096331 /nfs/dbraw/zinc/09/63/31/1072096331.db2.gz JXPVBJUUQXUBFV-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C(=O)NCCN2CCOC[C@@H]2C)CCOCC1 ZINC000426491763 1072096325 /nfs/dbraw/zinc/09/63/25/1072096325.db2.gz JXPVBJUUQXUBFV-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCOCC1 ZINC000426491764 1072096262 /nfs/dbraw/zinc/09/62/62/1072096262.db2.gz JXPVBJUUQXUBFV-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCOCC1 ZINC000426491764 1072096249 /nfs/dbraw/zinc/09/62/49/1072096249.db2.gz JXPVBJUUQXUBFV-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCOCC1 ZINC000426491765 1072096179 /nfs/dbraw/zinc/09/61/79/1072096179.db2.gz JXPVBJUUQXUBFV-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCOCC1 ZINC000426491765 1072096172 /nfs/dbraw/zinc/09/61/72/1072096172.db2.gz JXPVBJUUQXUBFV-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@H+]2CCOC[C@H]2C)CCOCC1 ZINC000426491766 1072096420 /nfs/dbraw/zinc/09/64/20/1072096420.db2.gz JXPVBJUUQXUBFV-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C1(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)CCOCC1 ZINC000426491766 1072096414 /nfs/dbraw/zinc/09/64/14/1072096414.db2.gz JXPVBJUUQXUBFV-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426502026 1072098940 /nfs/dbraw/zinc/09/89/40/1072098940.db2.gz WUKJTAVABJLCHQ-INIZCTEOSA-N 1 2 443.508 0.279 20 0 IBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426502027 1072099018 /nfs/dbraw/zinc/09/90/18/1072099018.db2.gz WUKJTAVABJLCHQ-MRXNPFEDSA-N 1 2 443.508 0.279 20 0 IBADLO CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)O1)N1CCOCC1 ZINC000426573583 1072121819 /nfs/dbraw/zinc/12/18/19/1072121819.db2.gz NRQRCBITBMYAME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC(C)(CNC(=O)[C@@H]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)O1)N1CCOCC1 ZINC000426573583 1072121816 /nfs/dbraw/zinc/12/18/16/1072121816.db2.gz NRQRCBITBMYAME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)O1)N1CCOCC1 ZINC000426573584 1072121725 /nfs/dbraw/zinc/12/17/25/1072121725.db2.gz NRQRCBITBMYAME-QZTJIDSGSA-N 1 2 440.585 -0.012 20 0 IBADLO CC(C)(CNC(=O)[C@@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)O1)N1CCOCC1 ZINC000426573585 1072121693 /nfs/dbraw/zinc/12/16/93/1072121693.db2.gz NRQRCBITBMYAME-ROUUACIJSA-N 1 2 440.585 -0.012 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000426664487 1072158631 /nfs/dbraw/zinc/15/86/31/1072158631.db2.gz FZWDDNONQBWPOY-UHFFFAOYSA-N 1 2 435.395 -0.015 20 0 IBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000426666223 1072161888 /nfs/dbraw/zinc/16/18/88/1072161888.db2.gz PEXNKXYGPQNGBK-CYBMUJFWSA-N 1 2 427.469 0.055 20 0 IBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000426666224 1072161938 /nfs/dbraw/zinc/16/19/38/1072161938.db2.gz PEXNKXYGPQNGBK-ZDUSSCGKSA-N 1 2 427.469 0.055 20 0 IBADLO CCc1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000426666646 1072159234 /nfs/dbraw/zinc/15/92/34/1072159234.db2.gz TZCDXKIDTMIMFC-UHFFFAOYSA-N 1 2 444.583 -0.411 20 0 IBADLO Cn1cc(N2CCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)CC2=O)cn1 ZINC000426775316 1072175665 /nfs/dbraw/zinc/17/56/65/1072175665.db2.gz ZIAMRSAFUWFQOD-UHFFFAOYSA-N 1 2 438.496 -0.906 20 0 IBADLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC000426790413 1072176299 /nfs/dbraw/zinc/17/62/99/1072176299.db2.gz DEPRCEAJLOWFAK-AWEZNQCLSA-N 1 2 427.531 -0.003 20 0 IBADLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC000426790413 1072176294 /nfs/dbraw/zinc/17/62/94/1072176294.db2.gz DEPRCEAJLOWFAK-AWEZNQCLSA-N 1 2 427.531 -0.003 20 0 IBADLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC000426790414 1072176948 /nfs/dbraw/zinc/17/69/48/1072176948.db2.gz DEPRCEAJLOWFAK-CQSZACIVSA-N 1 2 427.531 -0.003 20 0 IBADLO CO[C@H](C)c1noc(CN2CCC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC000426790414 1072176944 /nfs/dbraw/zinc/17/69/44/1072176944.db2.gz DEPRCEAJLOWFAK-CQSZACIVSA-N 1 2 427.531 -0.003 20 0 IBADLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000426809566 1072177580 /nfs/dbraw/zinc/17/75/80/1072177580.db2.gz VTZHTLPFVCEFTA-HNNXBMFYSA-N 1 2 446.574 -0.318 20 0 IBADLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000426809566 1072177576 /nfs/dbraw/zinc/17/75/76/1072177576.db2.gz VTZHTLPFVCEFTA-HNNXBMFYSA-N 1 2 446.574 -0.318 20 0 IBADLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000426809570 1072177518 /nfs/dbraw/zinc/17/75/18/1072177518.db2.gz VTZHTLPFVCEFTA-OAHLLOKOSA-N 1 2 446.574 -0.318 20 0 IBADLO CO[C@H](C)c1noc(CN2CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000426809570 1072177516 /nfs/dbraw/zinc/17/75/16/1072177516.db2.gz VTZHTLPFVCEFTA-OAHLLOKOSA-N 1 2 446.574 -0.318 20 0 IBADLO CN(C)c1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCc3c[nH+]c(N(C)C)n3C)O2)n1C ZINC000426824925 1072178044 /nfs/dbraw/zinc/17/80/44/1072178044.db2.gz ORRWPURYNMAZGF-HOTGVXAUSA-N 1 2 432.529 -0.234 20 0 IBADLO CN(C)c1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)NCc3c[nH+]c(N(C)C)n3C)O2)n1C ZINC000426824934 1072178216 /nfs/dbraw/zinc/17/82/16/1072178216.db2.gz ORRWPURYNMAZGF-HZPDHXFCSA-N 1 2 432.529 -0.234 20 0 IBADLO CCOCCN1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](CCOCC)CC3)O2)CC1 ZINC000427000317 1072189803 /nfs/dbraw/zinc/18/98/03/1072189803.db2.gz BVHRTKBKVXQAPA-PMACEKPBSA-N 1 2 440.585 -0.105 20 0 IBADLO CCOCCN1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](CCOCC)CC3)O2)CC1 ZINC000427000318 1072189813 /nfs/dbraw/zinc/18/98/13/1072189813.db2.gz BVHRTKBKVXQAPA-WOJBJXKFSA-N 1 2 440.585 -0.105 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 ZINC000427013006 1072189319 /nfs/dbraw/zinc/18/93/19/1072189319.db2.gz AOQGCIWCMJHYTB-AWEZNQCLSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000427013588 1072189332 /nfs/dbraw/zinc/18/93/32/1072189332.db2.gz BWOPKNBZJRLESJ-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO CC(C)(O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](CC(C)(C)O)CC3)O2)CC1 ZINC000427017072 1072189079 /nfs/dbraw/zinc/18/90/79/1072189079.db2.gz UGSJARXIGGPPRE-HDICACEKSA-N 1 2 440.585 -0.636 20 0 IBADLO CC(C)(O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+](CC(C)(C)O)CC3)O2)CC1 ZINC000427017072 1072189073 /nfs/dbraw/zinc/18/90/73/1072189073.db2.gz UGSJARXIGGPPRE-HDICACEKSA-N 1 2 440.585 -0.636 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427017397 1072189105 /nfs/dbraw/zinc/18/91/05/1072189105.db2.gz SMLPRAAZGNLSQO-HNNXBMFYSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427019904 1072191046 /nfs/dbraw/zinc/19/10/46/1072191046.db2.gz OJQBNDJRYCRPGR-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427020355 1072191140 /nfs/dbraw/zinc/19/11/40/1072191140.db2.gz AZMTVGCJHXLIFI-CABCVRRESA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427020356 1072191158 /nfs/dbraw/zinc/19/11/58/1072191158.db2.gz AZMTVGCJHXLIFI-GJZGRUSLSA-N 1 2 442.538 -0.537 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427022118 1072191224 /nfs/dbraw/zinc/19/12/24/1072191224.db2.gz IEPFAQWGVGWMBZ-HNNXBMFYSA-N 1 2 434.493 -0.227 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000427023455 1072191025 /nfs/dbraw/zinc/19/10/25/1072191025.db2.gz NREJKECOZIJPJE-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427025138 1072191857 /nfs/dbraw/zinc/19/18/57/1072191857.db2.gz XIPBEDKHIZBRLR-GJZGRUSLSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427025139 1072191773 /nfs/dbraw/zinc/19/17/73/1072191773.db2.gz XIPBEDKHIZBRLR-LSDHHAIUSA-N 1 2 434.493 -0.169 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000427025522 1072189923 /nfs/dbraw/zinc/18/99/23/1072189923.db2.gz BQABWNHHXLWPQV-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000427026126 1072189909 /nfs/dbraw/zinc/18/99/09/1072189909.db2.gz HSIMCYGZLNNDKF-UHFFFAOYSA-N 1 2 442.524 0.103 20 0 IBADLO COc1cc(NC(=O)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000427026276 1072189791 /nfs/dbraw/zinc/18/97/91/1072189791.db2.gz BXAKWKCWJMSEHZ-HNNXBMFYSA-N 1 2 434.493 -0.061 20 0 IBADLO COc1cc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000427026277 1072189879 /nfs/dbraw/zinc/18/98/79/1072189879.db2.gz BXAKWKCWJMSEHZ-OAHLLOKOSA-N 1 2 434.493 -0.061 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1S(=O)(=O)N(C)C ZINC000427027009 1072189782 /nfs/dbraw/zinc/18/97/82/1072189782.db2.gz GTQGETGSPUCHBW-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000427027308 1072189756 /nfs/dbraw/zinc/18/97/56/1072189756.db2.gz ATPRJNDHZVNAAA-INIZCTEOSA-N 1 2 434.493 -0.612 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427027818 1072190472 /nfs/dbraw/zinc/19/04/72/1072190472.db2.gz CNZLRPQKJZMSTA-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OCC(=O)NC1CC1 ZINC000427029223 1072190414 /nfs/dbraw/zinc/19/04/14/1072190414.db2.gz UTPXXIGTBNUHEW-AWEZNQCLSA-N 1 2 434.493 -0.184 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000427029767 1072190584 /nfs/dbraw/zinc/19/05/84/1072190584.db2.gz QOUOKAFVNFAQQK-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(=O)(=O)N(C)C ZINC000427030243 1072190563 /nfs/dbraw/zinc/19/05/63/1072190563.db2.gz MDKYBAIRLOTFGG-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000427030395 1072190609 /nfs/dbraw/zinc/19/06/09/1072190609.db2.gz SUTLSAHVZHKCAI-KRWDZBQOSA-N 1 2 447.536 -0.788 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427030527 1072190439 /nfs/dbraw/zinc/19/04/39/1072190439.db2.gz ZTEJQUZUMLLPSI-HNNXBMFYSA-N 1 2 427.523 -0.040 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 ZINC000427032179 1072190671 /nfs/dbraw/zinc/19/06/71/1072190671.db2.gz ZJQGAQUSRVHPJX-AWEZNQCLSA-N 1 2 435.506 -0.261 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427032217 1072190455 /nfs/dbraw/zinc/19/04/55/1072190455.db2.gz ZUJBLSRWWSUURA-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)CC1 ZINC000427034445 1072190489 /nfs/dbraw/zinc/19/04/89/1072190489.db2.gz NVOWEYLFMINXLD-GJZGRUSLSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1)n1cncn1 ZINC000427034446 1072191060 /nfs/dbraw/zinc/19/10/60/1072191060.db2.gz NVOWEYLFMINXLD-LSDHHAIUSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000427034900 1072192467 /nfs/dbraw/zinc/19/24/67/1072192467.db2.gz QHQBOHSRLLHDEI-INIZCTEOSA-N 1 2 433.509 -0.579 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc(S(C)(=O)=O)c1 ZINC000427039105 1072193057 /nfs/dbraw/zinc/19/30/57/1072193057.db2.gz UPIWEQFJEXNHNN-ZDUSSCGKSA-N 1 2 441.506 -0.270 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427040163 1072193018 /nfs/dbraw/zinc/19/30/18/1072193018.db2.gz FSBXKEGQKLIZQA-LBPRGKRZSA-N 1 2 439.465 -0.038 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000427040605 1072192926 /nfs/dbraw/zinc/19/29/26/1072192926.db2.gz KCVHIVKNDIXVIX-LBPRGKRZSA-N 1 2 428.486 -0.270 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000427042079 1072191783 /nfs/dbraw/zinc/19/17/83/1072191783.db2.gz BBSSGWLXDYQYPN-CRAIPNDOSA-N 1 2 439.472 -0.033 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000427042083 1072191872 /nfs/dbraw/zinc/19/18/72/1072191872.db2.gz BBSSGWLXDYQYPN-MAUKXSAKSA-N 1 2 439.472 -0.033 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000427042084 1072191864 /nfs/dbraw/zinc/19/18/64/1072191864.db2.gz BBSSGWLXDYQYPN-QAPCUYQASA-N 1 2 439.472 -0.033 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000427042087 1072191754 /nfs/dbraw/zinc/19/17/54/1072191754.db2.gz BBSSGWLXDYQYPN-YJBOKZPZSA-N 1 2 439.472 -0.033 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 ZINC000427042667 1072191880 /nfs/dbraw/zinc/19/18/80/1072191880.db2.gz ZRUGMSVYEJIBTD-INIZCTEOSA-N 1 2 444.536 -0.396 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000427043263 1072191825 /nfs/dbraw/zinc/19/18/25/1072191825.db2.gz CEAJGJIYEFONHK-INIZCTEOSA-N 1 2 447.536 -0.454 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000427043667 1072191890 /nfs/dbraw/zinc/19/18/90/1072191890.db2.gz DXRNAYBYPOXDIU-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C[C@H](C)O)CC3)cc2)CC1 ZINC000427047959 1072192489 /nfs/dbraw/zinc/19/24/89/1072192489.db2.gz ZSWCTRAXXKZLRO-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000427048847 1072192366 /nfs/dbraw/zinc/19/23/66/1072192366.db2.gz JMBQPHBGMCLETP-ZDUSSCGKSA-N 1 2 428.511 -0.080 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000427055053 1072193102 /nfs/dbraw/zinc/19/31/02/1072193102.db2.gz RIFWFTXZLUSABC-AWEZNQCLSA-N 1 2 437.522 -0.379 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)O1 ZINC000427078936 1072193717 /nfs/dbraw/zinc/19/37/17/1072193717.db2.gz WWTMCQKWBFJWME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)O1 ZINC000427078936 1072193713 /nfs/dbraw/zinc/19/37/13/1072193713.db2.gz WWTMCQKWBFJWME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)O1 ZINC000427078936 1072193706 /nfs/dbraw/zinc/19/37/06/1072193706.db2.gz WWTMCQKWBFJWME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)O1 ZINC000427078936 1072193701 /nfs/dbraw/zinc/19/37/01/1072193701.db2.gz WWTMCQKWBFJWME-HDICACEKSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)O1 ZINC000427079025 1072193581 /nfs/dbraw/zinc/19/35/81/1072193581.db2.gz WWTMCQKWBFJWME-QZTJIDSGSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)O1 ZINC000427079025 1072193573 /nfs/dbraw/zinc/19/35/73/1072193573.db2.gz WWTMCQKWBFJWME-QZTJIDSGSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)O1 ZINC000427079026 1072193601 /nfs/dbraw/zinc/19/36/01/1072193601.db2.gz WWTMCQKWBFJWME-ROUUACIJSA-N 1 2 440.585 -0.012 20 0 IBADLO CC1(C)COCCN1CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)O1 ZINC000427079026 1072193593 /nfs/dbraw/zinc/19/35/93/1072193593.db2.gz WWTMCQKWBFJWME-ROUUACIJSA-N 1 2 440.585 -0.012 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)O1)[C@@H](C)N1CCOCC1 ZINC000427093297 1072194214 /nfs/dbraw/zinc/19/42/14/1072194214.db2.gz MHUSULQWTIJDTD-BGSOWLKRSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)O1)[C@@H](C)[NH+]1CCOCC1 ZINC000427093297 1072194212 /nfs/dbraw/zinc/19/42/12/1072194212.db2.gz MHUSULQWTIJDTD-BGSOWLKRSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)O1)[C@H](C)N1CCOCC1 ZINC000427093298 1072194228 /nfs/dbraw/zinc/19/42/28/1072194228.db2.gz MHUSULQWTIJDTD-DWIKVQACSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)O1)[C@H](C)[NH+]1CCOCC1 ZINC000427093298 1072194222 /nfs/dbraw/zinc/19/42/22/1072194222.db2.gz MHUSULQWTIJDTD-DWIKVQACSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)O1)[C@H](C)N1CCOCC1 ZINC000427093299 1072194319 /nfs/dbraw/zinc/19/43/19/1072194319.db2.gz MHUSULQWTIJDTD-XAWFRAJHSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)O1)[C@H](C)[NH+]1CCOCC1 ZINC000427093299 1072194318 /nfs/dbraw/zinc/19/43/18/1072194318.db2.gz MHUSULQWTIJDTD-XAWFRAJHSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)O1)[C@@H](C)N1CCOCC1 ZINC000427093300 1072194178 /nfs/dbraw/zinc/19/41/78/1072194178.db2.gz MHUSULQWTIJDTD-YUNYCSSDSA-N 1 2 440.585 -0.015 20 0 IBADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)O1)[C@@H](C)[NH+]1CCOCC1 ZINC000427093300 1072194171 /nfs/dbraw/zinc/19/41/71/1072194171.db2.gz MHUSULQWTIJDTD-YUNYCSSDSA-N 1 2 440.585 -0.015 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C(=O)N1CCOCC1 ZINC000427250570 1072204104 /nfs/dbraw/zinc/20/41/04/1072204104.db2.gz PNJHYKXGVOPHJO-GOSISDBHSA-N 1 2 448.520 -0.443 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C(=O)N1CCOCC1 ZINC000427250572 1072204096 /nfs/dbraw/zinc/20/40/96/1072204096.db2.gz PNJHYKXGVOPHJO-SFHVURJKSA-N 1 2 448.520 -0.443 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000427307635 1072208780 /nfs/dbraw/zinc/20/87/80/1072208780.db2.gz IHZUMSDVKKOSKQ-UHFFFAOYSA-N 1 2 440.522 -0.445 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000427388323 1072213996 /nfs/dbraw/zinc/21/39/96/1072213996.db2.gz AFYNFASYVWKULQ-UHFFFAOYSA-N 1 2 429.481 0.014 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(CCO)[C@@H](C)C3)cc2)CC1 ZINC000427395261 1072212541 /nfs/dbraw/zinc/21/25/41/1072212541.db2.gz OQEZGQMMHQCOKJ-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)cc2)CC1 ZINC000427395262 1072212569 /nfs/dbraw/zinc/21/25/69/1072212569.db2.gz OQEZGQMMHQCOKJ-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1OCC(=O)NC1CC1 ZINC000427395544 1072211937 /nfs/dbraw/zinc/21/19/37/1072211937.db2.gz BMYKQURIHRTGJE-AWEZNQCLSA-N 1 2 434.493 -0.184 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1OCC(=O)NC1CC1 ZINC000427395544 1072211932 /nfs/dbraw/zinc/21/19/32/1072211932.db2.gz BMYKQURIHRTGJE-AWEZNQCLSA-N 1 2 434.493 -0.184 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1OCC(=O)NC1CC1 ZINC000427395545 1072212100 /nfs/dbraw/zinc/21/21/00/1072212100.db2.gz BMYKQURIHRTGJE-CQSZACIVSA-N 1 2 434.493 -0.184 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1OCC(=O)NC1CC1 ZINC000427395545 1072212089 /nfs/dbraw/zinc/21/20/89/1072212089.db2.gz BMYKQURIHRTGJE-CQSZACIVSA-N 1 2 434.493 -0.184 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000427395669 1072211986 /nfs/dbraw/zinc/21/19/86/1072211986.db2.gz QJDVBYJMWWTNLL-INIZCTEOSA-N 1 2 434.493 -0.612 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000427395669 1072211981 /nfs/dbraw/zinc/21/19/81/1072211981.db2.gz QJDVBYJMWWTNLL-INIZCTEOSA-N 1 2 434.493 -0.612 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000427395670 1072211866 /nfs/dbraw/zinc/21/18/66/1072211866.db2.gz QJDVBYJMWWTNLL-MRXNPFEDSA-N 1 2 434.493 -0.612 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000427395670 1072211862 /nfs/dbraw/zinc/21/18/62/1072211862.db2.gz QJDVBYJMWWTNLL-MRXNPFEDSA-N 1 2 434.493 -0.612 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427396139 1072212584 /nfs/dbraw/zinc/21/25/84/1072212584.db2.gz DBLLSPWVKDOZQI-CABCVRRESA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427396139 1072212580 /nfs/dbraw/zinc/21/25/80/1072212580.db2.gz DBLLSPWVKDOZQI-CABCVRRESA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396140 1072212555 /nfs/dbraw/zinc/21/25/55/1072212555.db2.gz DBLLSPWVKDOZQI-GJZGRUSLSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396140 1072212551 /nfs/dbraw/zinc/21/25/51/1072212551.db2.gz DBLLSPWVKDOZQI-GJZGRUSLSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427396141 1072212728 /nfs/dbraw/zinc/21/27/28/1072212728.db2.gz DBLLSPWVKDOZQI-HUUCEWRRSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427396141 1072212724 /nfs/dbraw/zinc/21/27/24/1072212724.db2.gz DBLLSPWVKDOZQI-HUUCEWRRSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396142 1072212661 /nfs/dbraw/zinc/21/26/61/1072212661.db2.gz DBLLSPWVKDOZQI-LSDHHAIUSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396142 1072212656 /nfs/dbraw/zinc/21/26/56/1072212656.db2.gz DBLLSPWVKDOZQI-LSDHHAIUSA-N 1 2 434.493 -0.169 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000427396217 1072212710 /nfs/dbraw/zinc/21/27/10/1072212710.db2.gz RUSOCMAKPVYIHE-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000427396217 1072212703 /nfs/dbraw/zinc/21/27/03/1072212703.db2.gz RUSOCMAKPVYIHE-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000427396218 1072212481 /nfs/dbraw/zinc/21/24/81/1072212481.db2.gz RUSOCMAKPVYIHE-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1S(=O)(=O)N(C)C ZINC000427396218 1072212477 /nfs/dbraw/zinc/21/24/77/1072212477.db2.gz RUSOCMAKPVYIHE-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC[N@H+]1CCO ZINC000427396547 1072212614 /nfs/dbraw/zinc/21/26/14/1072212614.db2.gz SUKSTLRFEQDUQE-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC[N@@H+]1CCO ZINC000427396547 1072212611 /nfs/dbraw/zinc/21/26/11/1072212611.db2.gz SUKSTLRFEQDUQE-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC[N@H+]1CCO ZINC000427396548 1072212637 /nfs/dbraw/zinc/21/26/37/1072212637.db2.gz SUKSTLRFEQDUQE-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC[N@@H+]1CCO ZINC000427396548 1072212629 /nfs/dbraw/zinc/21/26/29/1072212629.db2.gz SUKSTLRFEQDUQE-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427397583 1072212693 /nfs/dbraw/zinc/21/26/93/1072212693.db2.gz HLELUBOKFJSJBM-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427397583 1072212688 /nfs/dbraw/zinc/21/26/88/1072212688.db2.gz HLELUBOKFJSJBM-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427397584 1072212528 /nfs/dbraw/zinc/21/25/28/1072212528.db2.gz HLELUBOKFJSJBM-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427397584 1072212522 /nfs/dbraw/zinc/21/25/22/1072212522.db2.gz HLELUBOKFJSJBM-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CCN2C1=O ZINC000427397711 1072212676 /nfs/dbraw/zinc/21/26/76/1072212676.db2.gz IBECZDHGBUBFKU-GOSISDBHSA-N 1 2 447.540 -0.242 20 0 IBADLO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CCN2C1=O ZINC000427397714 1072212510 /nfs/dbraw/zinc/21/25/10/1072212510.db2.gz IBECZDHGBUBFKU-SFHVURJKSA-N 1 2 447.540 -0.242 20 0 IBADLO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCN2C1=O ZINC000427399181 1072212593 /nfs/dbraw/zinc/21/25/93/1072212593.db2.gz LZXYPIRYSOOESQ-KRWDZBQOSA-N 1 2 447.540 -0.242 20 0 IBADLO CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCN2C1=O ZINC000427399182 1072213139 /nfs/dbraw/zinc/21/31/39/1072213139.db2.gz LZXYPIRYSOOESQ-QGZVFWFLSA-N 1 2 447.540 -0.242 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427399789 1072213209 /nfs/dbraw/zinc/21/32/09/1072213209.db2.gz OJZWHGLQVRZKDD-HNNXBMFYSA-N 1 2 434.493 -0.227 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427399789 1072213206 /nfs/dbraw/zinc/21/32/06/1072213206.db2.gz OJZWHGLQVRZKDD-HNNXBMFYSA-N 1 2 434.493 -0.227 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427399790 1072213239 /nfs/dbraw/zinc/21/32/39/1072213239.db2.gz OJZWHGLQVRZKDD-OAHLLOKOSA-N 1 2 434.493 -0.227 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427399790 1072213233 /nfs/dbraw/zinc/21/32/33/1072213233.db2.gz OJZWHGLQVRZKDD-OAHLLOKOSA-N 1 2 434.493 -0.227 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427402222 1072213270 /nfs/dbraw/zinc/21/32/70/1072213270.db2.gz AQHBCLUQTBIGTB-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427402222 1072213267 /nfs/dbraw/zinc/21/32/67/1072213267.db2.gz AQHBCLUQTBIGTB-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427402224 1072213295 /nfs/dbraw/zinc/21/32/95/1072213295.db2.gz AQHBCLUQTBIGTB-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427402224 1072213288 /nfs/dbraw/zinc/21/32/88/1072213288.db2.gz AQHBCLUQTBIGTB-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[N@H+]1CCO ZINC000427402463 1072213062 /nfs/dbraw/zinc/21/30/62/1072213062.db2.gz BNMZVVONNGKZGU-AWEZNQCLSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[N@@H+]1CCO ZINC000427402463 1072213056 /nfs/dbraw/zinc/21/30/56/1072213056.db2.gz BNMZVVONNGKZGU-AWEZNQCLSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[N@H+]1CCO ZINC000427402464 1072213337 /nfs/dbraw/zinc/21/33/37/1072213337.db2.gz BNMZVVONNGKZGU-CQSZACIVSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[N@@H+]1CCO ZINC000427402464 1072213332 /nfs/dbraw/zinc/21/33/32/1072213332.db2.gz BNMZVVONNGKZGU-CQSZACIVSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427403724 1072213361 /nfs/dbraw/zinc/21/33/61/1072213361.db2.gz JQPVDIQRGMIJRE-KRWDZBQOSA-N 1 2 447.536 -0.788 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427403724 1072213357 /nfs/dbraw/zinc/21/33/57/1072213357.db2.gz JQPVDIQRGMIJRE-KRWDZBQOSA-N 1 2 447.536 -0.788 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427403725 1072213321 /nfs/dbraw/zinc/21/33/21/1072213321.db2.gz JQPVDIQRGMIJRE-QGZVFWFLSA-N 1 2 447.536 -0.788 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427403725 1072213318 /nfs/dbraw/zinc/21/33/18/1072213318.db2.gz JQPVDIQRGMIJRE-QGZVFWFLSA-N 1 2 447.536 -0.788 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@H+]1CCO ZINC000427405542 1072213924 /nfs/dbraw/zinc/21/39/24/1072213924.db2.gz QUAIVWUUIXBRME-GFCCVEGCSA-N 1 2 428.486 -0.270 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1CCO ZINC000427405542 1072213917 /nfs/dbraw/zinc/21/39/17/1072213917.db2.gz QUAIVWUUIXBRME-GFCCVEGCSA-N 1 2 428.486 -0.270 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@H+]1CCO ZINC000427405543 1072213764 /nfs/dbraw/zinc/21/37/64/1072213764.db2.gz QUAIVWUUIXBRME-LBPRGKRZSA-N 1 2 428.486 -0.270 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1CCO ZINC000427405543 1072213759 /nfs/dbraw/zinc/21/37/59/1072213759.db2.gz QUAIVWUUIXBRME-LBPRGKRZSA-N 1 2 428.486 -0.270 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[N@H+]1CCO ZINC000427406422 1071148846 /nfs/dbraw/zinc/14/88/46/1071148846.db2.gz UFYBASLEELNZJV-AWEZNQCLSA-N 1 2 435.506 -0.261 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[N@@H+]1CCO ZINC000427406422 1071148840 /nfs/dbraw/zinc/14/88/40/1071148840.db2.gz UFYBASLEELNZJV-AWEZNQCLSA-N 1 2 435.506 -0.261 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[N@H+]1CCO ZINC000427406423 1071148873 /nfs/dbraw/zinc/14/88/73/1071148873.db2.gz UFYBASLEELNZJV-CQSZACIVSA-N 1 2 435.506 -0.261 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[N@@H+]1CCO ZINC000427406423 1071148867 /nfs/dbraw/zinc/14/88/67/1071148867.db2.gz UFYBASLEELNZJV-CQSZACIVSA-N 1 2 435.506 -0.261 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427406750 1072213782 /nfs/dbraw/zinc/21/37/82/1072213782.db2.gz VFCDVUSKAURVCP-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427406750 1072213778 /nfs/dbraw/zinc/21/37/78/1072213778.db2.gz VFCDVUSKAURVCP-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427406751 1072213951 /nfs/dbraw/zinc/21/39/51/1072213951.db2.gz VFCDVUSKAURVCP-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427406751 1072213942 /nfs/dbraw/zinc/21/39/42/1072213942.db2.gz VFCDVUSKAURVCP-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427406974 1072214423 /nfs/dbraw/zinc/21/44/23/1072214423.db2.gz RBGFJDSOURGLNO-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427406974 1072214415 /nfs/dbraw/zinc/21/44/15/1072214415.db2.gz RBGFJDSOURGLNO-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427406975 1072214567 /nfs/dbraw/zinc/21/45/67/1072214567.db2.gz RBGFJDSOURGLNO-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427406975 1072214560 /nfs/dbraw/zinc/21/45/60/1072214560.db2.gz RBGFJDSOURGLNO-ZDUSSCGKSA-N 1 2 428.511 -0.591 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@H+]1CCO ZINC000427407665 1072213892 /nfs/dbraw/zinc/21/38/92/1072213892.db2.gz XZXXZMMNNSIODK-APWZRJJASA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@@H+]1CCO ZINC000427407665 1072213884 /nfs/dbraw/zinc/21/38/84/1072213884.db2.gz XZXXZMMNNSIODK-APWZRJJASA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@H+]1CCO ZINC000427407666 1072214022 /nfs/dbraw/zinc/21/40/22/1072214022.db2.gz XZXXZMMNNSIODK-LPHOPBHVSA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@@H+]1CCO ZINC000427407666 1072214015 /nfs/dbraw/zinc/21/40/15/1072214015.db2.gz XZXXZMMNNSIODK-LPHOPBHVSA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@H+]1CCO ZINC000427407667 1072214662 /nfs/dbraw/zinc/21/46/62/1072214662.db2.gz XZXXZMMNNSIODK-QFBILLFUSA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@@H+]1CCO ZINC000427407667 1072214658 /nfs/dbraw/zinc/21/46/58/1072214658.db2.gz XZXXZMMNNSIODK-QFBILLFUSA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@H+]1CCO ZINC000427407668 1072214530 /nfs/dbraw/zinc/21/45/30/1072214530.db2.gz XZXXZMMNNSIODK-VQIMIIECSA-N 1 2 446.504 -0.836 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC[N@@H+]1CCO ZINC000427407668 1072214525 /nfs/dbraw/zinc/21/45/25/1072214525.db2.gz XZXXZMMNNSIODK-VQIMIIECSA-N 1 2 446.504 -0.836 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411886 1072214598 /nfs/dbraw/zinc/21/45/98/1072214598.db2.gz HRTVDXQRPKSERC-CABCVRRESA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411886 1072214593 /nfs/dbraw/zinc/21/45/93/1072214593.db2.gz HRTVDXQRPKSERC-CABCVRRESA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411887 1072214631 /nfs/dbraw/zinc/21/46/31/1072214631.db2.gz HRTVDXQRPKSERC-GJZGRUSLSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411887 1072214626 /nfs/dbraw/zinc/21/46/26/1072214626.db2.gz HRTVDXQRPKSERC-GJZGRUSLSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427411888 1072214448 /nfs/dbraw/zinc/21/44/48/1072214448.db2.gz HRTVDXQRPKSERC-HUUCEWRRSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427411888 1072214445 /nfs/dbraw/zinc/21/44/45/1072214445.db2.gz HRTVDXQRPKSERC-HUUCEWRRSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427411889 1072214547 /nfs/dbraw/zinc/21/45/47/1072214547.db2.gz HRTVDXQRPKSERC-LSDHHAIUSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427411889 1072214542 /nfs/dbraw/zinc/21/45/42/1072214542.db2.gz HRTVDXQRPKSERC-LSDHHAIUSA-N 1 2 442.538 -0.537 20 0 IBADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000427414608 1072214643 /nfs/dbraw/zinc/21/46/43/1072214643.db2.gz PJLQXECZWLLINC-INIZCTEOSA-N 1 2 444.598 -0.124 20 0 IBADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000427414609 1072214669 /nfs/dbraw/zinc/21/46/69/1072214669.db2.gz PJLQXECZWLLINC-MRXNPFEDSA-N 1 2 444.598 -0.124 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC[N@H+]1CCO ZINC000427418319 1072213742 /nfs/dbraw/zinc/21/37/42/1072213742.db2.gz APLDDSNZEYKILJ-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC[N@@H+]1CCO ZINC000427418319 1072213738 /nfs/dbraw/zinc/21/37/38/1072213738.db2.gz APLDDSNZEYKILJ-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC[N@H+]1CCO ZINC000427418320 1072213681 /nfs/dbraw/zinc/21/36/81/1072213681.db2.gz APLDDSNZEYKILJ-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC[N@@H+]1CCO ZINC000427418320 1072213675 /nfs/dbraw/zinc/21/36/75/1072213675.db2.gz APLDDSNZEYKILJ-ZDUSSCGKSA-N 1 2 428.486 -0.171 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)cc2)CC1 ZINC000427428645 1072215297 /nfs/dbraw/zinc/21/52/97/1072215297.db2.gz OXESNJIOGMGPBQ-UHFFFAOYSA-N 1 2 437.566 -0.230 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430208 1072214982 /nfs/dbraw/zinc/21/49/82/1072214982.db2.gz WWDNHLSBUMPPSB-CYBMUJFWSA-N 1 2 441.506 -0.270 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430208 1072214978 /nfs/dbraw/zinc/21/49/78/1072214978.db2.gz WWDNHLSBUMPPSB-CYBMUJFWSA-N 1 2 441.506 -0.270 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430209 1072215358 /nfs/dbraw/zinc/21/53/58/1072215358.db2.gz WWDNHLSBUMPPSB-ZDUSSCGKSA-N 1 2 441.506 -0.270 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430209 1072215351 /nfs/dbraw/zinc/21/53/51/1072215351.db2.gz WWDNHLSBUMPPSB-ZDUSSCGKSA-N 1 2 441.506 -0.270 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430300 1072215210 /nfs/dbraw/zinc/21/52/10/1072215210.db2.gz XCVCFQQWZUVYEC-GFCCVEGCSA-N 1 2 427.479 -0.660 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430300 1072215200 /nfs/dbraw/zinc/21/52/00/1072215200.db2.gz XCVCFQQWZUVYEC-GFCCVEGCSA-N 1 2 427.479 -0.660 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430305 1072215335 /nfs/dbraw/zinc/21/53/35/1072215335.db2.gz XCVCFQQWZUVYEC-LBPRGKRZSA-N 1 2 427.479 -0.660 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000427430305 1072215324 /nfs/dbraw/zinc/21/53/24/1072215324.db2.gz XCVCFQQWZUVYEC-LBPRGKRZSA-N 1 2 427.479 -0.660 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1)n1cncn1 ZINC000427433251 1072215818 /nfs/dbraw/zinc/21/58/18/1072215818.db2.gz AMMBENKGCAQQJE-CABCVRRESA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1)n1cncn1 ZINC000427433251 1072215808 /nfs/dbraw/zinc/21/58/08/1072215808.db2.gz AMMBENKGCAQQJE-CABCVRRESA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1)n1cncn1 ZINC000427433252 1071151057 /nfs/dbraw/zinc/15/10/57/1071151057.db2.gz AMMBENKGCAQQJE-GJZGRUSLSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1)n1cncn1 ZINC000427433252 1071151051 /nfs/dbraw/zinc/15/10/51/1071151051.db2.gz AMMBENKGCAQQJE-GJZGRUSLSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1)n1cncn1 ZINC000427433253 1072215916 /nfs/dbraw/zinc/21/59/16/1072215916.db2.gz AMMBENKGCAQQJE-HUUCEWRRSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1)n1cncn1 ZINC000427433253 1072215904 /nfs/dbraw/zinc/21/59/04/1072215904.db2.gz AMMBENKGCAQQJE-HUUCEWRRSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1)n1cncn1 ZINC000427433254 1072215699 /nfs/dbraw/zinc/21/56/99/1072215699.db2.gz AMMBENKGCAQQJE-LSDHHAIUSA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1)n1cncn1 ZINC000427433254 1072215693 /nfs/dbraw/zinc/21/56/93/1072215693.db2.gz AMMBENKGCAQQJE-LSDHHAIUSA-N 1 2 429.481 -0.059 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427433369 1072215947 /nfs/dbraw/zinc/21/59/47/1072215947.db2.gz AWMFCCBCSZOZRB-HNNXBMFYSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427433369 1072215938 /nfs/dbraw/zinc/21/59/38/1072215938.db2.gz AWMFCCBCSZOZRB-HNNXBMFYSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427433371 1072216586 /nfs/dbraw/zinc/21/65/86/1072216586.db2.gz AWMFCCBCSZOZRB-OAHLLOKOSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427433371 1072216577 /nfs/dbraw/zinc/21/65/77/1072216577.db2.gz AWMFCCBCSZOZRB-OAHLLOKOSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427437900 1072216503 /nfs/dbraw/zinc/21/65/03/1072216503.db2.gz AGSFGXDBSODADK-INIZCTEOSA-N 1 2 447.536 -0.454 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427437901 1072216600 /nfs/dbraw/zinc/21/66/00/1072216600.db2.gz AGSFGXDBSODADK-MRXNPFEDSA-N 1 2 447.536 -0.454 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427438660 1072216523 /nfs/dbraw/zinc/21/65/23/1072216523.db2.gz ILESBFFPVKLALH-HNNXBMFYSA-N 1 2 427.523 -0.040 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427438660 1072216516 /nfs/dbraw/zinc/21/65/16/1072216516.db2.gz ILESBFFPVKLALH-HNNXBMFYSA-N 1 2 427.523 -0.040 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427438661 1072216464 /nfs/dbraw/zinc/21/64/64/1072216464.db2.gz ILESBFFPVKLALH-OAHLLOKOSA-N 1 2 427.523 -0.040 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427438661 1072216457 /nfs/dbraw/zinc/21/64/57/1072216457.db2.gz ILESBFFPVKLALH-OAHLLOKOSA-N 1 2 427.523 -0.040 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427439300 1072216431 /nfs/dbraw/zinc/21/64/31/1072216431.db2.gz PFXCEROXBYBQEV-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427439300 1072216422 /nfs/dbraw/zinc/21/64/22/1072216422.db2.gz PFXCEROXBYBQEV-HNNXBMFYSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427439301 1071151018 /nfs/dbraw/zinc/15/10/18/1071151018.db2.gz PFXCEROXBYBQEV-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427439301 1071151009 /nfs/dbraw/zinc/15/10/09/1071151009.db2.gz PFXCEROXBYBQEV-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427439348 1072216644 /nfs/dbraw/zinc/21/66/44/1072216644.db2.gz PULIQEXNAWOEQA-GFCCVEGCSA-N 1 2 439.465 -0.038 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427439348 1072216634 /nfs/dbraw/zinc/21/66/34/1072216634.db2.gz PULIQEXNAWOEQA-GFCCVEGCSA-N 1 2 439.465 -0.038 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427439349 1072216545 /nfs/dbraw/zinc/21/65/45/1072216545.db2.gz PULIQEXNAWOEQA-LBPRGKRZSA-N 1 2 439.465 -0.038 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427439349 1072216537 /nfs/dbraw/zinc/21/65/37/1072216537.db2.gz PULIQEXNAWOEQA-LBPRGKRZSA-N 1 2 439.465 -0.038 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427439692 1072216564 /nfs/dbraw/zinc/21/65/64/1072216564.db2.gz SWDOEGWHGMNKAP-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427439692 1072216557 /nfs/dbraw/zinc/21/65/57/1072216557.db2.gz SWDOEGWHGMNKAP-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427439693 1072216689 /nfs/dbraw/zinc/21/66/89/1072216689.db2.gz SWDOEGWHGMNKAP-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427439693 1072216686 /nfs/dbraw/zinc/21/66/86/1072216686.db2.gz SWDOEGWHGMNKAP-ZDUSSCGKSA-N 1 2 440.522 -0.401 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC[N@H+]1CCO ZINC000427439924 1072217345 /nfs/dbraw/zinc/21/73/45/1072217345.db2.gz WEOVDDCGWWVVNV-AWEZNQCLSA-N 1 2 437.522 -0.379 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC[N@@H+]1CCO ZINC000427439924 1072217331 /nfs/dbraw/zinc/21/73/31/1072217331.db2.gz WEOVDDCGWWVVNV-AWEZNQCLSA-N 1 2 437.522 -0.379 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC[N@H+]1CCO ZINC000427439925 1072217280 /nfs/dbraw/zinc/21/72/80/1072217280.db2.gz WEOVDDCGWWVVNV-CQSZACIVSA-N 1 2 437.522 -0.379 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC[N@@H+]1CCO ZINC000427439925 1072217274 /nfs/dbraw/zinc/21/72/74/1072217274.db2.gz WEOVDDCGWWVVNV-CQSZACIVSA-N 1 2 437.522 -0.379 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC[N@H+]1CCO ZINC000427440194 1072217044 /nfs/dbraw/zinc/21/70/44/1072217044.db2.gz XQVUZDXYIYCLHQ-INIZCTEOSA-N 1 2 444.536 -0.396 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC[N@@H+]1CCO ZINC000427440194 1072217036 /nfs/dbraw/zinc/21/70/36/1072217036.db2.gz XQVUZDXYIYCLHQ-INIZCTEOSA-N 1 2 444.536 -0.396 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC[N@H+]1CCO ZINC000427440195 1072217065 /nfs/dbraw/zinc/21/70/65/1072217065.db2.gz XQVUZDXYIYCLHQ-MRXNPFEDSA-N 1 2 444.536 -0.396 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC[N@@H+]1CCO ZINC000427440195 1072217058 /nfs/dbraw/zinc/21/70/58/1072217058.db2.gz XQVUZDXYIYCLHQ-MRXNPFEDSA-N 1 2 444.536 -0.396 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1OC ZINC000427440758 1072217102 /nfs/dbraw/zinc/21/71/02/1072217102.db2.gz DWPKMOLDNHEFSP-CYBMUJFWSA-N 1 2 428.511 -0.080 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1OC ZINC000427440758 1072217094 /nfs/dbraw/zinc/21/70/94/1072217094.db2.gz DWPKMOLDNHEFSP-CYBMUJFWSA-N 1 2 428.511 -0.080 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1OC ZINC000427440759 1072217198 /nfs/dbraw/zinc/21/71/98/1072217198.db2.gz DWPKMOLDNHEFSP-ZDUSSCGKSA-N 1 2 428.511 -0.080 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1OC ZINC000427440759 1072217191 /nfs/dbraw/zinc/21/71/91/1072217191.db2.gz DWPKMOLDNHEFSP-ZDUSSCGKSA-N 1 2 428.511 -0.080 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427442052 1072217235 /nfs/dbraw/zinc/21/72/35/1072217235.db2.gz NWXBHOOWLFMVKW-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427442052 1072217226 /nfs/dbraw/zinc/21/72/26/1072217226.db2.gz NWXBHOOWLFMVKW-AWEZNQCLSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427442053 1072217136 /nfs/dbraw/zinc/21/71/36/1072217136.db2.gz NWXBHOOWLFMVKW-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427442053 1072217128 /nfs/dbraw/zinc/21/71/28/1072217128.db2.gz NWXBHOOWLFMVKW-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427443015 1072217401 /nfs/dbraw/zinc/21/74/01/1072217401.db2.gz JNIFTJHUDCMCTA-INIZCTEOSA-N 1 2 433.509 -0.579 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427443015 1072217393 /nfs/dbraw/zinc/21/73/93/1072217393.db2.gz JNIFTJHUDCMCTA-INIZCTEOSA-N 1 2 433.509 -0.579 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427443016 1072217307 /nfs/dbraw/zinc/21/73/07/1072217307.db2.gz JNIFTJHUDCMCTA-MRXNPFEDSA-N 1 2 433.509 -0.579 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427443016 1072217297 /nfs/dbraw/zinc/21/72/97/1072217297.db2.gz JNIFTJHUDCMCTA-MRXNPFEDSA-N 1 2 433.509 -0.579 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427443162 1072217082 /nfs/dbraw/zinc/21/70/82/1072217082.db2.gz KDRZXSHDMHSNGO-AWEZNQCLSA-N 1 2 428.511 -0.925 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427443162 1072217081 /nfs/dbraw/zinc/21/70/81/1072217081.db2.gz KDRZXSHDMHSNGO-AWEZNQCLSA-N 1 2 428.511 -0.925 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427443163 1072217367 /nfs/dbraw/zinc/21/73/67/1072217367.db2.gz KDRZXSHDMHSNGO-CQSZACIVSA-N 1 2 428.511 -0.925 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427443163 1072217359 /nfs/dbraw/zinc/21/73/59/1072217359.db2.gz KDRZXSHDMHSNGO-CQSZACIVSA-N 1 2 428.511 -0.925 20 0 IBADLO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)CN2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463850 1072219407 /nfs/dbraw/zinc/21/94/07/1072219407.db2.gz HOEGNZJZNPDJBJ-JVSBHGNQSA-N 1 2 440.585 -0.297 20 0 IBADLO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)O1)CN1CCOCC1 ZINC000427463850 1072219402 /nfs/dbraw/zinc/21/94/02/1072219402.db2.gz HOEGNZJZNPDJBJ-JVSBHGNQSA-N 1 2 440.585 -0.297 20 0 IBADLO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)O1)CN1CCOCC1 ZINC000427463852 1072219462 /nfs/dbraw/zinc/21/94/62/1072219462.db2.gz HOEGNZJZNPDJBJ-WTGUMLROSA-N 1 2 440.585 -0.297 20 0 IBADLO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)O1)CN1CCOCC1 ZINC000427463852 1072219459 /nfs/dbraw/zinc/21/94/59/1072219459.db2.gz HOEGNZJZNPDJBJ-WTGUMLROSA-N 1 2 440.585 -0.297 20 0 IBADLO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)CN2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463854 1072219630 /nfs/dbraw/zinc/21/96/30/1072219630.db2.gz HOEGNZJZNPDJBJ-YRPNKDGESA-N 1 2 440.585 -0.297 20 0 IBADLO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)O1)CN1CCOCC1 ZINC000427463854 1072219620 /nfs/dbraw/zinc/21/96/20/1072219620.db2.gz HOEGNZJZNPDJBJ-YRPNKDGESA-N 1 2 440.585 -0.297 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000427487551 1073334678 /nfs/dbraw/zinc/33/46/78/1073334678.db2.gz PUMCANBDXKCJRR-CYBMUJFWSA-N 1 2 446.430 -0.319 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000427487552 1073334521 /nfs/dbraw/zinc/33/45/21/1073334521.db2.gz PUMCANBDXKCJRR-ZDUSSCGKSA-N 1 2 446.430 -0.319 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000427489592 1072220565 /nfs/dbraw/zinc/22/05/65/1072220565.db2.gz YAIMBRDUUPAITD-CYBMUJFWSA-N 1 2 446.430 -0.319 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000427489593 1072220772 /nfs/dbraw/zinc/22/07/72/1072220772.db2.gz YAIMBRDUUPAITD-ZDUSSCGKSA-N 1 2 446.430 -0.319 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000427525364 1072223091 /nfs/dbraw/zinc/22/30/91/1072223091.db2.gz QOUDJEKWJVYZKE-UHFFFAOYSA-N 1 2 432.433 -0.091 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000427707566 1072329832 /nfs/dbraw/zinc/32/98/32/1072329832.db2.gz ZHVSUEZMFDBKMH-KBPBESRZSA-N 1 2 435.481 -0.262 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000427707567 1072329952 /nfs/dbraw/zinc/32/99/52/1072329952.db2.gz ZHVSUEZMFDBKMH-KGLIPLIRSA-N 1 2 435.481 -0.262 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000427707568 1072329933 /nfs/dbraw/zinc/32/99/33/1072329933.db2.gz ZHVSUEZMFDBKMH-UONOGXRCSA-N 1 2 435.481 -0.262 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000427707569 1072330031 /nfs/dbraw/zinc/33/00/31/1072330031.db2.gz ZHVSUEZMFDBKMH-ZIAGYGMSSA-N 1 2 435.481 -0.262 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000427708848 1072329976 /nfs/dbraw/zinc/32/99/76/1072329976.db2.gz CONWKAHXUDPHDX-CVEARBPZSA-N 1 2 447.536 -0.055 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000427708849 1072329895 /nfs/dbraw/zinc/32/98/95/1072329895.db2.gz CONWKAHXUDPHDX-HOTGVXAUSA-N 1 2 447.536 -0.055 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000427708850 1072329916 /nfs/dbraw/zinc/32/99/16/1072329916.db2.gz CONWKAHXUDPHDX-HZPDHXFCSA-N 1 2 447.536 -0.055 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000427708851 1072330046 /nfs/dbraw/zinc/33/00/46/1072330046.db2.gz CONWKAHXUDPHDX-JKSUJKDBSA-N 1 2 447.536 -0.055 20 0 IBADLO CCC1(CC)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCS1(=O)=O ZINC000427777159 1072337267 /nfs/dbraw/zinc/33/72/67/1072337267.db2.gz HCPNRLYYBQIGCJ-UHFFFAOYSA-N 1 2 441.554 -0.030 20 0 IBADLO CCC1(CC)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS1(=O)=O ZINC000427798722 1072339983 /nfs/dbraw/zinc/33/99/83/1072339983.db2.gz CTWJCVQEDVXLAC-UHFFFAOYSA-N 1 2 441.554 -0.030 20 0 IBADLO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427856148 1072342517 /nfs/dbraw/zinc/34/25/17/1072342517.db2.gz MSJKDKOTQNZRMO-HTAPYJJXSA-N 1 2 430.505 -0.557 20 0 IBADLO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427856150 1072342547 /nfs/dbraw/zinc/34/25/47/1072342547.db2.gz MSJKDKOTQNZRMO-JTSKRJEESA-N 1 2 430.505 -0.557 20 0 IBADLO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427856153 1072342447 /nfs/dbraw/zinc/34/24/47/1072342447.db2.gz MSJKDKOTQNZRMO-VGOFRKELSA-N 1 2 430.505 -0.557 20 0 IBADLO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427856155 1072342432 /nfs/dbraw/zinc/34/24/32/1072342432.db2.gz MSJKDKOTQNZRMO-VGSWGCGISA-N 1 2 430.505 -0.557 20 0 IBADLO CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000427883009 1072345194 /nfs/dbraw/zinc/34/51/94/1072345194.db2.gz CQSXPOWKFXBTPD-KRWDZBQOSA-N 1 2 432.525 -0.365 20 0 IBADLO CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000427883013 1072345068 /nfs/dbraw/zinc/34/50/68/1072345068.db2.gz CQSXPOWKFXBTPD-QGZVFWFLSA-N 1 2 432.525 -0.365 20 0 IBADLO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000427904502 1072346110 /nfs/dbraw/zinc/34/61/10/1072346110.db2.gz LCSPOTHSCVHOBU-UHFFFAOYSA-N 1 2 426.543 -0.632 20 0 IBADLO CNS(=O)(=O)c1ccc(O)c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000427909717 1072346652 /nfs/dbraw/zinc/34/66/52/1072346652.db2.gz CWNLLXGHGMYPSC-KRWDZBQOSA-N 1 2 440.522 -0.048 20 0 IBADLO CNS(=O)(=O)c1ccc(O)c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000427909718 1072346701 /nfs/dbraw/zinc/34/67/01/1072346701.db2.gz CWNLLXGHGMYPSC-QGZVFWFLSA-N 1 2 440.522 -0.048 20 0 IBADLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000428056372 1072353916 /nfs/dbraw/zinc/35/39/16/1072353916.db2.gz HEJAADOWLFITKM-INIZCTEOSA-N 1 2 426.539 -0.106 20 0 IBADLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000428056372 1072353908 /nfs/dbraw/zinc/35/39/08/1072353908.db2.gz HEJAADOWLFITKM-INIZCTEOSA-N 1 2 426.539 -0.106 20 0 IBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000428056378 1072354149 /nfs/dbraw/zinc/35/41/49/1072354149.db2.gz HEJAADOWLFITKM-MRXNPFEDSA-N 1 2 426.539 -0.106 20 0 IBADLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000428056378 1072354141 /nfs/dbraw/zinc/35/41/41/1072354141.db2.gz HEJAADOWLFITKM-MRXNPFEDSA-N 1 2 426.539 -0.106 20 0 IBADLO CC[C@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000428088435 1072356892 /nfs/dbraw/zinc/35/68/92/1072356892.db2.gz GGZBMSPIGWALHE-AWEZNQCLSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000428088435 1072356881 /nfs/dbraw/zinc/35/68/81/1072356881.db2.gz GGZBMSPIGWALHE-AWEZNQCLSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000428088438 1072357038 /nfs/dbraw/zinc/35/70/38/1072357038.db2.gz GGZBMSPIGWALHE-CQSZACIVSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000428088438 1072357027 /nfs/dbraw/zinc/35/70/27/1072357027.db2.gz GGZBMSPIGWALHE-CQSZACIVSA-N 1 2 432.568 -0.111 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000428113721 1072357533 /nfs/dbraw/zinc/35/75/33/1072357533.db2.gz CFHLQHNTPVNGKD-UHFFFAOYSA-N 1 2 438.514 -0.995 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000428133128 1072358571 /nfs/dbraw/zinc/35/85/71/1072358571.db2.gz DINJIIXOOWWNAP-INIZCTEOSA-N 1 2 433.556 -0.399 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000428133129 1072358401 /nfs/dbraw/zinc/35/84/01/1072358401.db2.gz DINJIIXOOWWNAP-MRXNPFEDSA-N 1 2 433.556 -0.399 20 0 IBADLO O[C@@]1(CNc2nc(N3CCOCC3)nc(NC[C@@]3(O)CCSC3)[nH+]2)CCSC1 ZINC000428173118 1072361403 /nfs/dbraw/zinc/36/14/03/1072361403.db2.gz XVFHNLILSDYSMK-CALCHBBNSA-N 1 2 428.584 -0.888 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000428222726 1072363881 /nfs/dbraw/zinc/36/38/81/1072363881.db2.gz ULNCBNCWYCUGLE-KRWDZBQOSA-N 1 2 442.520 -0.588 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000428222727 1072363910 /nfs/dbraw/zinc/36/39/10/1072363910.db2.gz ULNCBNCWYCUGLE-QGZVFWFLSA-N 1 2 442.520 -0.588 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)CC2=O)cn1 ZINC000428227879 1072363414 /nfs/dbraw/zinc/36/34/14/1072363414.db2.gz YEZPLDMTPUURKL-UHFFFAOYSA-N 1 2 439.520 -0.019 20 0 IBADLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000428328727 1072576770 /nfs/dbraw/zinc/57/67/70/1072576770.db2.gz ZDQKQKOPAWPWEI-ACDPGZMHSA-N 1 2 449.643 -0.114 20 0 IBADLO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000428328731 1072577342 /nfs/dbraw/zinc/57/73/42/1072577342.db2.gz ZDQKQKOPAWPWEI-IIZOCFLVSA-N 1 2 449.643 -0.114 20 0 IBADLO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000428328732 1072577620 /nfs/dbraw/zinc/57/76/20/1072577620.db2.gz ZDQKQKOPAWPWEI-VUFWKLLHSA-N 1 2 449.643 -0.114 20 0 IBADLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000428328734 1072577548 /nfs/dbraw/zinc/57/75/48/1072577548.db2.gz ZDQKQKOPAWPWEI-YAYPDYNLSA-N 1 2 449.643 -0.114 20 0 IBADLO Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428384104 1072663907 /nfs/dbraw/zinc/66/39/07/1072663907.db2.gz WBSOGOJTKQHUAF-INIZCTEOSA-N 1 2 439.534 -0.120 20 0 IBADLO Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428384107 1072663883 /nfs/dbraw/zinc/66/38/83/1072663883.db2.gz WBSOGOJTKQHUAF-MRXNPFEDSA-N 1 2 439.534 -0.120 20 0 IBADLO Cc1c([C@H]2[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC(=O)N2C)cnn1C ZINC000428490931 1072782948 /nfs/dbraw/zinc/78/29/48/1072782948.db2.gz QNHVISLLTLLOAE-MJGOQNOKSA-N 1 2 441.540 -0.088 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428503575 1072827539 /nfs/dbraw/zinc/82/75/39/1072827539.db2.gz NABLMZKVZYKWBQ-HNNXBMFYSA-N 1 2 427.523 -0.145 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000428514097 1072861564 /nfs/dbraw/zinc/86/15/64/1072861564.db2.gz HAJSPYFFAKTDEK-KRWDZBQOSA-N 1 2 425.493 -0.137 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000428514101 1072862475 /nfs/dbraw/zinc/86/24/75/1072862475.db2.gz HAJSPYFFAKTDEK-QGZVFWFLSA-N 1 2 425.493 -0.137 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428523303 1072864637 /nfs/dbraw/zinc/86/46/37/1072864637.db2.gz PRJHTCSNTVRLMN-HNNXBMFYSA-N 1 2 427.523 -0.145 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428523303 1072864627 /nfs/dbraw/zinc/86/46/27/1072864627.db2.gz PRJHTCSNTVRLMN-HNNXBMFYSA-N 1 2 427.523 -0.145 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428523304 1072864598 /nfs/dbraw/zinc/86/45/98/1072864598.db2.gz PRJHTCSNTVRLMN-OAHLLOKOSA-N 1 2 427.523 -0.145 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428523304 1072864589 /nfs/dbraw/zinc/86/45/89/1072864589.db2.gz PRJHTCSNTVRLMN-OAHLLOKOSA-N 1 2 427.523 -0.145 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428560050 1072877260 /nfs/dbraw/zinc/87/72/60/1072877260.db2.gz OZGYQEZQIVFTEQ-UHFFFAOYSA-N 1 2 441.558 -0.748 20 0 IBADLO CNC(=O)[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000428650277 1072962546 /nfs/dbraw/zinc/96/25/46/1072962546.db2.gz NQIYEIJZDIGPQU-INIZCTEOSA-N 1 2 426.543 -0.397 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000428723726 1071548895 /nfs/dbraw/zinc/54/88/95/1071548895.db2.gz NVGVCABUOBETSP-CJNGLKHVSA-N 1 2 438.481 -0.350 20 0 IBADLO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428788302 1072457787 /nfs/dbraw/zinc/45/77/87/1072457787.db2.gz RSGMNBPNXFUFMF-INIZCTEOSA-N 1 2 444.579 -0.515 20 0 IBADLO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428788302 1072457781 /nfs/dbraw/zinc/45/77/81/1072457781.db2.gz RSGMNBPNXFUFMF-INIZCTEOSA-N 1 2 444.579 -0.515 20 0 IBADLO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428788305 1072458666 /nfs/dbraw/zinc/45/86/66/1072458666.db2.gz RSGMNBPNXFUFMF-MRXNPFEDSA-N 1 2 444.579 -0.515 20 0 IBADLO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428788305 1072458658 /nfs/dbraw/zinc/45/86/58/1072458658.db2.gz RSGMNBPNXFUFMF-MRXNPFEDSA-N 1 2 444.579 -0.515 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809938 1072501432 /nfs/dbraw/zinc/50/14/32/1072501432.db2.gz RJACCGJTZCCRPJ-GOSISDBHSA-N 1 2 438.550 -0.259 20 0 IBADLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809938 1072501420 /nfs/dbraw/zinc/50/14/20/1072501420.db2.gz RJACCGJTZCCRPJ-GOSISDBHSA-N 1 2 438.550 -0.259 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809939 1072501285 /nfs/dbraw/zinc/50/12/85/1072501285.db2.gz RJACCGJTZCCRPJ-SFHVURJKSA-N 1 2 438.550 -0.259 20 0 IBADLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809939 1072501269 /nfs/dbraw/zinc/50/12/69/1072501269.db2.gz RJACCGJTZCCRPJ-SFHVURJKSA-N 1 2 438.550 -0.259 20 0 IBADLO Cn1cc(N2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cn1 ZINC000428811002 1072505149 /nfs/dbraw/zinc/50/51/49/1072505149.db2.gz ZHOQLVLCVSUJOS-UHFFFAOYSA-N 1 2 440.508 -0.088 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000428916910 1073231551 /nfs/dbraw/zinc/23/15/51/1073231551.db2.gz HYVYIMHTTROEGP-HNNXBMFYSA-N 1 2 436.538 -0.404 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000428916911 1073231436 /nfs/dbraw/zinc/23/14/36/1073231436.db2.gz HYVYIMHTTROEGP-OAHLLOKOSA-N 1 2 436.538 -0.404 20 0 IBADLO CC(C)N1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428923565 1073232035 /nfs/dbraw/zinc/23/20/35/1073232035.db2.gz RHNPJJRJXFCRED-INIZCTEOSA-N 1 2 438.554 -0.158 20 0 IBADLO CC(C)N1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428923569 1073232013 /nfs/dbraw/zinc/23/20/13/1073232013.db2.gz RHNPJJRJXFCRED-MRXNPFEDSA-N 1 2 438.554 -0.158 20 0 IBADLO COCCS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000429043489 1073237113 /nfs/dbraw/zinc/23/71/13/1073237113.db2.gz FXFMLMBTGVSKFJ-KRWDZBQOSA-N 1 2 429.539 -0.059 20 0 IBADLO COCCS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000429043493 1073237205 /nfs/dbraw/zinc/23/72/05/1073237205.db2.gz FXFMLMBTGVSKFJ-QGZVFWFLSA-N 1 2 429.539 -0.059 20 0 IBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000429111437 1073240449 /nfs/dbraw/zinc/24/04/49/1073240449.db2.gz CJSKTRUOMBJXMC-UHFFFAOYSA-N 1 2 442.538 -0.266 20 0 IBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000429111437 1073240443 /nfs/dbraw/zinc/24/04/43/1073240443.db2.gz CJSKTRUOMBJXMC-UHFFFAOYSA-N 1 2 442.538 -0.266 20 0 IBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000429157155 1073249035 /nfs/dbraw/zinc/24/90/35/1073249035.db2.gz MKTQJVYFHALJRR-UHFFFAOYSA-N 1 2 440.522 -0.512 20 0 IBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000429157155 1073249031 /nfs/dbraw/zinc/24/90/31/1073249031.db2.gz MKTQJVYFHALJRR-UHFFFAOYSA-N 1 2 440.522 -0.512 20 0 IBADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000429160272 1073248944 /nfs/dbraw/zinc/24/89/44/1073248944.db2.gz RYXDHXKNIGJAJU-UHFFFAOYSA-N 1 2 442.538 -0.266 20 0 IBADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000429160272 1073248938 /nfs/dbraw/zinc/24/89/38/1073248938.db2.gz RYXDHXKNIGJAJU-UHFFFAOYSA-N 1 2 442.538 -0.266 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000429195195 1073256243 /nfs/dbraw/zinc/25/62/43/1073256243.db2.gz UYBXNWXGZABJLZ-UHFFFAOYSA-N 1 2 425.519 -0.973 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429271004 1073311372 /nfs/dbraw/zinc/31/13/72/1073311372.db2.gz YZGWEPHTCMVYTN-UHFFFAOYSA-N 1 2 435.554 -0.232 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429312603 1073321285 /nfs/dbraw/zinc/32/12/85/1073321285.db2.gz BWKYJVUYDKSRSY-UHFFFAOYSA-N 1 2 449.497 -0.698 20 0 IBADLO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000429399581 1073345685 /nfs/dbraw/zinc/34/56/85/1073345685.db2.gz CHQILMYDGBYFSW-UHFFFAOYSA-N 1 2 428.453 0.550 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429615507 1072034077 /nfs/dbraw/zinc/03/40/77/1072034077.db2.gz ZUODSAHZVLJRMP-UHFFFAOYSA-N 1 2 427.531 -0.577 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cnns1 ZINC000429679822 1072510984 /nfs/dbraw/zinc/51/09/84/1072510984.db2.gz GAYRHJBQNZBLNP-UHFFFAOYSA-N 1 2 425.496 -0.860 20 0 IBADLO CCOC(=O)c1ncn(C2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1N ZINC000429704059 1072762956 /nfs/dbraw/zinc/76/29/56/1072762956.db2.gz UBDCBFIXGPATDJ-LLVKDONJSA-N 1 2 447.496 -0.470 20 0 IBADLO CCOC(=O)c1ncn(C2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1N ZINC000429704060 1072762781 /nfs/dbraw/zinc/76/27/81/1072762781.db2.gz UBDCBFIXGPATDJ-NSHDSACASA-N 1 2 447.496 -0.470 20 0 IBADLO COCCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000429707584 1072763544 /nfs/dbraw/zinc/76/35/44/1072763544.db2.gz JLOYCLGQSISZBT-UHFFFAOYSA-N 1 2 440.566 -0.109 20 0 IBADLO COC(=O)C12CCC(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)(CC1)C2 ZINC000429708359 1072763295 /nfs/dbraw/zinc/76/32/95/1072763295.db2.gz MDSRZAVOVBCQES-UHFFFAOYSA-N 1 2 428.555 -0.254 20 0 IBADLO Cn1ncc(Cl)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429833194 1071515273 /nfs/dbraw/zinc/51/52/73/1071515273.db2.gz XSPKRRCTUBIFIL-UHFFFAOYSA-N 1 2 448.958 -0.101 20 0 IBADLO COc1cc2c(cc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)OCC(=O)N2 ZINC000429856365 1071564171 /nfs/dbraw/zinc/56/41/71/1071564171.db2.gz HPTVMRCNSJFJIU-UHFFFAOYSA-N 1 2 426.495 -0.143 20 0 IBADLO COc1cc2c(cc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)OCC(=O)N2 ZINC000429875009 1071569803 /nfs/dbraw/zinc/56/98/03/1071569803.db2.gz ZPMIIGAHEVCFMS-UHFFFAOYSA-N 1 2 426.495 -0.189 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000429918974 1071578405 /nfs/dbraw/zinc/57/84/05/1071578405.db2.gz FWWVQJPWRCQLAE-HNNXBMFYSA-N 1 2 441.554 -0.033 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000429918976 1071578446 /nfs/dbraw/zinc/57/84/46/1071578446.db2.gz FWWVQJPWRCQLAE-OAHLLOKOSA-N 1 2 441.554 -0.033 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000429922350 1071578969 /nfs/dbraw/zinc/57/89/69/1071578969.db2.gz KWYHANIQSIMDQJ-UHFFFAOYSA-N 1 2 440.570 -0.679 20 0 IBADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000429931969 1071582195 /nfs/dbraw/zinc/58/21/95/1071582195.db2.gz YJQKADNKGUFVEQ-UHFFFAOYSA-N 1 2 445.524 0.378 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429935122 1071582770 /nfs/dbraw/zinc/58/27/70/1071582770.db2.gz ZTQQTXOGWBUUBN-UHFFFAOYSA-N 1 2 428.515 -0.886 20 0 IBADLO O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429939807 1071582696 /nfs/dbraw/zinc/58/26/96/1071582696.db2.gz WJIICNNZHQWXSH-AVRDEDQJSA-N 1 2 445.495 0.575 20 0 IBADLO O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429939809 1071582738 /nfs/dbraw/zinc/58/27/38/1071582738.db2.gz WJIICNNZHQWXSH-GCJKJVERSA-N 1 2 445.495 0.575 20 0 IBADLO O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429939811 1071582787 /nfs/dbraw/zinc/58/27/87/1071582787.db2.gz WJIICNNZHQWXSH-PGRDOPGGSA-N 1 2 445.495 0.575 20 0 IBADLO O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429939813 1071582620 /nfs/dbraw/zinc/58/26/20/1071582620.db2.gz WJIICNNZHQWXSH-XMSQKQJNSA-N 1 2 445.495 0.575 20 0 IBADLO NC(=O)c1coc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000429944285 1071583129 /nfs/dbraw/zinc/58/31/29/1071583129.db2.gz GWFIJWDZXQBJOX-UHFFFAOYSA-N 1 2 436.494 -0.275 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430184842 1070808428 /nfs/dbraw/zinc/80/84/28/1070808428.db2.gz HJSYMASWAPRMDQ-IBGZPJMESA-N 1 2 438.554 -0.299 20 0 IBADLO CNC(=O)[C@]1(C)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430184843 1070808271 /nfs/dbraw/zinc/80/82/71/1070808271.db2.gz HJSYMASWAPRMDQ-LJQANCHMSA-N 1 2 438.554 -0.299 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](CO)[C@H]1CCOC1 ZINC000430186541 1070808206 /nfs/dbraw/zinc/80/82/06/1070808206.db2.gz MAFQGLIZIJNYPA-DLBZAZTESA-N 1 2 441.554 -0.522 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](CO)[C@@H]1CCOC1 ZINC000430186542 1070808382 /nfs/dbraw/zinc/80/83/82/1070808382.db2.gz MAFQGLIZIJNYPA-IAGOWNOFSA-N 1 2 441.554 -0.522 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](CO)[C@H]1CCOC1 ZINC000430186543 1070808102 /nfs/dbraw/zinc/80/81/02/1070808102.db2.gz MAFQGLIZIJNYPA-IRXDYDNUSA-N 1 2 441.554 -0.522 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000430186544 1070808153 /nfs/dbraw/zinc/80/81/53/1070808153.db2.gz MAFQGLIZIJNYPA-SJORKVTESA-N 1 2 441.554 -0.522 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)ccn2)CC1 ZINC000430215125 1070816715 /nfs/dbraw/zinc/81/67/15/1070816715.db2.gz BUIOAFURQCYWFF-GOSISDBHSA-N 1 2 444.536 -0.269 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)ccn2)CC1 ZINC000430215126 1070816835 /nfs/dbraw/zinc/81/68/35/1070816835.db2.gz BUIOAFURQCYWFF-SFHVURJKSA-N 1 2 444.536 -0.269 20 0 IBADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000430445234 1070886404 /nfs/dbraw/zinc/88/64/04/1070886404.db2.gz JAZCFGSPVITADV-CBGDNZLLSA-N 1 2 435.525 0.339 20 0 IBADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@H](C)O2 ZINC000430445235 1070886715 /nfs/dbraw/zinc/88/67/15/1070886715.db2.gz JAZCFGSPVITADV-LLGFUMIMSA-N 1 2 435.525 0.339 20 0 IBADLO C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000430445236 1070886652 /nfs/dbraw/zinc/88/66/52/1070886652.db2.gz JAZCFGSPVITADV-LZJOCLMNSA-N 1 2 435.525 0.339 20 0 IBADLO C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@H](C)O2 ZINC000430445237 1070886825 /nfs/dbraw/zinc/88/68/25/1070886825.db2.gz JAZCFGSPVITADV-WWMYMODYSA-N 1 2 435.525 0.339 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430459243 1070892376 /nfs/dbraw/zinc/89/23/76/1070892376.db2.gz JITPRQXJNIJMCX-UHFFFAOYSA-N 1 2 426.543 -0.541 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000430507116 1070945970 /nfs/dbraw/zinc/94/59/70/1070945970.db2.gz QOPZJCJJFREWHR-UHFFFAOYSA-N 1 2 444.883 0.542 20 0 IBADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NCC(F)F ZINC000430719191 1071011378 /nfs/dbraw/zinc/01/13/78/1071011378.db2.gz YYQCPLLFCYXHJS-CYBMUJFWSA-N 1 2 427.456 -0.038 20 0 IBADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NCC(F)F ZINC000430719191 1071011360 /nfs/dbraw/zinc/01/13/60/1071011360.db2.gz YYQCPLLFCYXHJS-CYBMUJFWSA-N 1 2 427.456 -0.038 20 0 IBADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NCC(F)F ZINC000430719192 1071011474 /nfs/dbraw/zinc/01/14/74/1071011474.db2.gz YYQCPLLFCYXHJS-ZDUSSCGKSA-N 1 2 427.456 -0.038 20 0 IBADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NCC(F)F ZINC000430719192 1071011456 /nfs/dbraw/zinc/01/14/56/1071011456.db2.gz YYQCPLLFCYXHJS-ZDUSSCGKSA-N 1 2 427.456 -0.038 20 0 IBADLO CO[C@@H]1CCN2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)[C@@H]2C1 ZINC000430881075 1071015385 /nfs/dbraw/zinc/01/53/85/1071015385.db2.gz YAJWNZWYKLUPFV-CVEARBPZSA-N 1 2 437.522 -0.025 20 0 IBADLO CO[C@H]1CCN2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)[C@@H]2C1 ZINC000430881076 1071015142 /nfs/dbraw/zinc/01/51/42/1071015142.db2.gz YAJWNZWYKLUPFV-HOTGVXAUSA-N 1 2 437.522 -0.025 20 0 IBADLO CO[C@@H]1CCN2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)[C@H]2C1 ZINC000430881077 1071015106 /nfs/dbraw/zinc/01/51/06/1071015106.db2.gz YAJWNZWYKLUPFV-HZPDHXFCSA-N 1 2 437.522 -0.025 20 0 IBADLO CO[C@H]1CCN2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)[C@H]2C1 ZINC000430881078 1071015179 /nfs/dbraw/zinc/01/51/79/1071015179.db2.gz YAJWNZWYKLUPFV-JKSUJKDBSA-N 1 2 437.522 -0.025 20 0 IBADLO Cn1ccc([C@@H]2NC(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)n1 ZINC000430886631 1071016135 /nfs/dbraw/zinc/01/61/35/1071016135.db2.gz CDMCJBSTVDNDST-INIZCTEOSA-N 1 2 433.494 -0.440 20 0 IBADLO Cn1ccc([C@H]2NC(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)n1 ZINC000430886632 1071015924 /nfs/dbraw/zinc/01/59/24/1071015924.db2.gz CDMCJBSTVDNDST-MRXNPFEDSA-N 1 2 433.494 -0.440 20 0 IBADLO O=C1N[C@@H](C2CCOCC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887137 1071016097 /nfs/dbraw/zinc/01/60/97/1071016097.db2.gz WBACYJABJRCZFX-KRWDZBQOSA-N 1 2 437.522 -0.120 20 0 IBADLO O=C1N[C@H](C2CCOCC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887139 1071015853 /nfs/dbraw/zinc/01/58/53/1071015853.db2.gz WBACYJABJRCZFX-QGZVFWFLSA-N 1 2 437.522 -0.120 20 0 IBADLO O=C1N[C@H]([C@H]2CCCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887460 1071015710 /nfs/dbraw/zinc/01/57/10/1071015710.db2.gz GBMXZABZBRGANO-DOTOQJQBSA-N 1 2 437.522 -0.120 20 0 IBADLO O=C1N[C@H]([C@@H]2CCCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887461 1071015979 /nfs/dbraw/zinc/01/59/79/1071015979.db2.gz GBMXZABZBRGANO-NVXWUHKLSA-N 1 2 437.522 -0.120 20 0 IBADLO O=C1N[C@@H]([C@H]2CCCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887462 1071015757 /nfs/dbraw/zinc/01/57/57/1071015757.db2.gz GBMXZABZBRGANO-RDJZCZTQSA-N 1 2 437.522 -0.120 20 0 IBADLO O=C1N[C@@H]([C@@H]2CCCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430887464 1071016017 /nfs/dbraw/zinc/01/60/17/1071016017.db2.gz GBMXZABZBRGANO-WBVHZDCISA-N 1 2 437.522 -0.120 20 0 IBADLO COC(=O)CC[C@H]1NC(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000430894531 1071016860 /nfs/dbraw/zinc/01/68/60/1071016860.db2.gz NRGLZAIRWWTQIF-CQSZACIVSA-N 1 2 439.494 -0.593 20 0 IBADLO CCOC(=O)[C@H]1NC(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000430895001 1071016262 /nfs/dbraw/zinc/01/62/62/1071016262.db2.gz RFUDDIBINHYIIW-AWEZNQCLSA-N 1 2 425.467 -0.983 20 0 IBADLO CCOC(=O)[C@@H]1NC(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000430895002 1071015672 /nfs/dbraw/zinc/01/56/72/1071015672.db2.gz RFUDDIBINHYIIW-CQSZACIVSA-N 1 2 425.467 -0.983 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000430920351 1071017991 /nfs/dbraw/zinc/01/79/91/1071017991.db2.gz UUELAGGDNWGKID-DLBZAZTESA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000430920351 1071017974 /nfs/dbraw/zinc/01/79/74/1071017974.db2.gz UUELAGGDNWGKID-DLBZAZTESA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000430920352 1071017732 /nfs/dbraw/zinc/01/77/32/1071017732.db2.gz UUELAGGDNWGKID-IAGOWNOFSA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000430920352 1071017713 /nfs/dbraw/zinc/01/77/13/1071017713.db2.gz UUELAGGDNWGKID-IAGOWNOFSA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)NC[C@H]4C3)CC2)cc1 ZINC000430920353 1071017620 /nfs/dbraw/zinc/01/76/20/1071017620.db2.gz UUELAGGDNWGKID-IRXDYDNUSA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)NC[C@H]4C3)CC2)cc1 ZINC000430920353 1071017602 /nfs/dbraw/zinc/01/76/02/1071017602.db2.gz UUELAGGDNWGKID-IRXDYDNUSA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCN4C(=O)NC[C@H]4C3)CC2)cc1 ZINC000430920354 1071018118 /nfs/dbraw/zinc/01/81/18/1071018118.db2.gz UUELAGGDNWGKID-SJORKVTESA-N 1 2 435.550 -0.074 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCN4C(=O)NC[C@H]4C3)CC2)cc1 ZINC000430920354 1071018100 /nfs/dbraw/zinc/01/81/00/1071018100.db2.gz UUELAGGDNWGKID-SJORKVTESA-N 1 2 435.550 -0.074 20 0 IBADLO COc1nc(N2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)ncc1Br ZINC000430920826 1071018046 /nfs/dbraw/zinc/01/80/46/1071018046.db2.gz QHVQLQIJLHXRQS-UHFFFAOYSA-N 1 2 425.287 -0.033 20 0 IBADLO COCCCS(=O)(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000431125657 1071029914 /nfs/dbraw/zinc/02/99/14/1071029914.db2.gz CUZMTSBXVQAPCZ-UHFFFAOYSA-N 1 2 440.570 -0.501 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431227337 1071037584 /nfs/dbraw/zinc/03/75/84/1071037584.db2.gz XIXWVXKRKYXZPX-AWEZNQCLSA-N 1 2 426.481 -0.671 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431227338 1071037526 /nfs/dbraw/zinc/03/75/26/1071037526.db2.gz XIXWVXKRKYXZPX-CQSZACIVSA-N 1 2 426.481 -0.671 20 0 IBADLO Cc1cncc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000431263717 1071042367 /nfs/dbraw/zinc/04/23/67/1071042367.db2.gz MCOXEMVXTPGICT-UHFFFAOYSA-N 1 2 432.506 -0.008 20 0 IBADLO Cc1c([C@@H]2[C@H](C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC(=O)N2C)cnn1C ZINC000431486512 1071122906 /nfs/dbraw/zinc/12/29/06/1071122906.db2.gz QSCPJMFAADHWHV-APWZRJJASA-N 1 2 426.525 -0.024 20 0 IBADLO Cc1c([C@@H]2[C@@H](C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC(=O)N2C)cnn1C ZINC000431486515 1071122890 /nfs/dbraw/zinc/12/28/90/1071122890.db2.gz QSCPJMFAADHWHV-LPHOPBHVSA-N 1 2 426.525 -0.024 20 0 IBADLO Cc1c([C@H]2[C@@H](C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC(=O)N2C)cnn1C ZINC000431486517 1071122863 /nfs/dbraw/zinc/12/28/63/1071122863.db2.gz QSCPJMFAADHWHV-QFBILLFUSA-N 1 2 426.525 -0.024 20 0 IBADLO Cc1c([C@H]2[C@H](C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC(=O)N2C)cnn1C ZINC000431486520 1071122804 /nfs/dbraw/zinc/12/28/04/1071122804.db2.gz QSCPJMFAADHWHV-VQIMIIECSA-N 1 2 426.525 -0.024 20 0 IBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000431697880 1071293195 /nfs/dbraw/zinc/29/31/95/1071293195.db2.gz JSJXVPJJRJJLOQ-UHFFFAOYSA-N 1 2 432.525 -0.212 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000431700452 1071292950 /nfs/dbraw/zinc/29/29/50/1071292950.db2.gz VIQBCLTYSFVPKP-UHFFFAOYSA-N 1 2 427.465 -0.226 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431702384 1071293685 /nfs/dbraw/zinc/29/36/85/1071293685.db2.gz AYYQGRIRMXMJTM-UHFFFAOYSA-N 1 2 448.524 -0.928 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000431720638 1071296334 /nfs/dbraw/zinc/29/63/34/1071296334.db2.gz ZBIMNZREDHDSNU-INIZCTEOSA-N 1 2 444.536 -0.024 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000431720639 1071296358 /nfs/dbraw/zinc/29/63/58/1071296358.db2.gz ZBIMNZREDHDSNU-MRXNPFEDSA-N 1 2 444.536 -0.024 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000431721455 1071297211 /nfs/dbraw/zinc/29/72/11/1071297211.db2.gz DGYGZTHPRUPYAT-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431750445 1071300857 /nfs/dbraw/zinc/30/08/57/1071300857.db2.gz BEMZVRXQNQALRT-AWEZNQCLSA-N 1 2 425.511 -0.295 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431750446 1071300702 /nfs/dbraw/zinc/30/07/02/1071300702.db2.gz BEMZVRXQNQALRT-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000431753717 1071300766 /nfs/dbraw/zinc/30/07/66/1071300766.db2.gz WEKBMGJASFUBOB-GDBMZVCRSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000431753718 1071300797 /nfs/dbraw/zinc/30/07/97/1071300797.db2.gz WEKBMGJASFUBOB-GOEBONIOSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000431753719 1071300809 /nfs/dbraw/zinc/30/08/09/1071300809.db2.gz WEKBMGJASFUBOB-HOCLYGCPSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000431753720 1071300735 /nfs/dbraw/zinc/30/07/35/1071300735.db2.gz WEKBMGJASFUBOB-ZBFHGGJFSA-N 1 2 439.538 -0.001 20 0 IBADLO COCCCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000431789527 1071305433 /nfs/dbraw/zinc/30/54/33/1071305433.db2.gz SGGHWHFSELERKT-UHFFFAOYSA-N 1 2 448.567 -0.354 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000431792181 1071305357 /nfs/dbraw/zinc/30/53/57/1071305357.db2.gz BMIMOQYJODKCAS-UHFFFAOYSA-N 1 2 446.508 -0.238 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000431795081 1071305398 /nfs/dbraw/zinc/30/53/98/1071305398.db2.gz OIZMOQOUXVMCHQ-UHFFFAOYSA-N 1 2 444.558 -0.269 20 0 IBADLO Cc1c([C@@H]2[C@@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC(=O)N2C)cnn1C ZINC000431826383 1071312585 /nfs/dbraw/zinc/31/25/85/1071312585.db2.gz WOJCXWSXGFPAOB-FTRWYGJKSA-N 1 2 432.525 -0.703 20 0 IBADLO Cc1c([C@@H]2[C@@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC(=O)N2C)cnn1C ZINC000431826384 1071312746 /nfs/dbraw/zinc/31/27/46/1071312746.db2.gz WOJCXWSXGFPAOB-GUXCAODWSA-N 1 2 432.525 -0.703 20 0 IBADLO Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC(=O)N2C)cnn1C ZINC000431826385 1071312776 /nfs/dbraw/zinc/31/27/76/1071312776.db2.gz WOJCXWSXGFPAOB-QINHECLXSA-N 1 2 432.525 -0.703 20 0 IBADLO Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC(=O)N2C)cnn1C ZINC000431826386 1071312860 /nfs/dbraw/zinc/31/28/60/1071312860.db2.gz WOJCXWSXGFPAOB-YRNRMSPPSA-N 1 2 432.525 -0.703 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC[C@@H](CO)O1 ZINC000431841330 1071333410 /nfs/dbraw/zinc/33/34/10/1071333410.db2.gz BTEAXTQKHRPLBE-CVEARBPZSA-N 1 2 427.527 -0.628 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000431851232 1071336946 /nfs/dbraw/zinc/33/69/46/1071336946.db2.gz MODIYOACJAWSEB-UHFFFAOYSA-N 1 2 444.558 -0.269 20 0 IBADLO COCCCS(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000431926793 1071357113 /nfs/dbraw/zinc/35/71/13/1071357113.db2.gz QSEAHLGVNKEPEJ-UHFFFAOYSA-N 1 2 427.527 -0.808 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000431953876 1071362001 /nfs/dbraw/zinc/36/20/01/1071362001.db2.gz ODHBASTVTISFHS-UHFFFAOYSA-N 1 2 444.536 -0.068 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000431957677 1071364322 /nfs/dbraw/zinc/36/43/22/1071364322.db2.gz XMSLJUSIIZPTFW-UHFFFAOYSA-N 1 2 432.525 -0.166 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000431966670 1071366673 /nfs/dbraw/zinc/36/66/73/1071366673.db2.gz WJUNQWYBMSJWPG-AWEZNQCLSA-N 1 2 425.511 -0.295 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000431966671 1071366851 /nfs/dbraw/zinc/36/68/51/1071366851.db2.gz WJUNQWYBMSJWPG-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000431967950 1071367595 /nfs/dbraw/zinc/36/75/95/1071367595.db2.gz WZHZCONABOJZGW-UHFFFAOYSA-N 1 2 444.492 -0.885 20 0 IBADLO Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000431968169 1071367680 /nfs/dbraw/zinc/36/76/80/1071367680.db2.gz YWVNCNZYZKMCJR-UHFFFAOYSA-N 1 2 432.506 -0.008 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431969229 1071367418 /nfs/dbraw/zinc/36/74/18/1071367418.db2.gz LRGZLMYEPAEYPY-UHFFFAOYSA-N 1 2 427.527 -0.047 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000431970719 1071371501 /nfs/dbraw/zinc/37/15/01/1071371501.db2.gz CZFICVYKAWSJNE-INIZCTEOSA-N 1 2 427.465 -0.180 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000431970720 1071371549 /nfs/dbraw/zinc/37/15/49/1071371549.db2.gz CZFICVYKAWSJNE-MRXNPFEDSA-N 1 2 427.465 -0.180 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000431972287 1071371315 /nfs/dbraw/zinc/37/13/15/1071371315.db2.gz JJRSJTOAUYPLRY-UHFFFAOYSA-N 1 2 425.511 -0.341 20 0 IBADLO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431973169 1071373334 /nfs/dbraw/zinc/37/33/34/1071373334.db2.gz NINOZXZVVYARMK-UHFFFAOYSA-N 1 2 427.527 -0.047 20 0 IBADLO CCN(CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)S(C)(=O)=O ZINC000431973547 1071378420 /nfs/dbraw/zinc/37/84/20/1071378420.db2.gz QFNCDVQUWWQYKU-UHFFFAOYSA-N 1 2 427.527 -0.047 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000431976100 1071390228 /nfs/dbraw/zinc/39/02/28/1071390228.db2.gz AAVBGANVOVFYLO-UHFFFAOYSA-N 1 2 430.509 -0.412 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431990306 1071397576 /nfs/dbraw/zinc/39/75/76/1071397576.db2.gz GWUSRHCEKVGRRQ-UHFFFAOYSA-N 1 2 425.511 -0.341 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000431995248 1071398209 /nfs/dbraw/zinc/39/82/09/1071398209.db2.gz ZEFHVDQXZQMIJZ-HNNXBMFYSA-N 1 2 439.538 -0.047 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000431995249 1071398419 /nfs/dbraw/zinc/39/84/19/1071398419.db2.gz ZEFHVDQXZQMIJZ-OAHLLOKOSA-N 1 2 439.538 -0.047 20 0 IBADLO C[C@@](O)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000431997132 1071399135 /nfs/dbraw/zinc/39/91/35/1071399135.db2.gz DFFMGLXJXOPQKT-IBGZPJMESA-N 1 2 426.539 -0.173 20 0 IBADLO C[C@](O)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000431997133 1071399059 /nfs/dbraw/zinc/39/90/59/1071399059.db2.gz DFFMGLXJXOPQKT-LJQANCHMSA-N 1 2 426.539 -0.173 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000432003190 1071399678 /nfs/dbraw/zinc/39/96/78/1071399678.db2.gz ZDQYYRWTZJRCTK-UHFFFAOYSA-N 1 2 446.508 -0.639 20 0 IBADLO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC2 ZINC000432018529 1071401268 /nfs/dbraw/zinc/40/12/68/1071401268.db2.gz GTJRBYGJAOJWQX-UHFFFAOYSA-N 1 2 432.477 -0.025 20 0 IBADLO COc1cc2c(c(OC)c1OC)CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC2 ZINC000432018529 1071401264 /nfs/dbraw/zinc/40/12/64/1071401264.db2.gz GTJRBYGJAOJWQX-UHFFFAOYSA-N 1 2 432.477 -0.025 20 0 IBADLO CCNC(=O)[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000432079265 1071405348 /nfs/dbraw/zinc/40/53/48/1071405348.db2.gz MJEMRTWEDLIXLX-KRWDZBQOSA-N 1 2 440.570 -0.007 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000432235026 1071430368 /nfs/dbraw/zinc/43/03/68/1071430368.db2.gz YACZWXIRVGCIKR-HNNXBMFYSA-N 1 2 425.511 -0.304 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000432235026 1071430361 /nfs/dbraw/zinc/43/03/61/1071430361.db2.gz YACZWXIRVGCIKR-HNNXBMFYSA-N 1 2 425.511 -0.304 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000432235027 1071430314 /nfs/dbraw/zinc/43/03/14/1071430314.db2.gz YACZWXIRVGCIKR-OAHLLOKOSA-N 1 2 425.511 -0.304 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000432235027 1071430307 /nfs/dbraw/zinc/43/03/07/1071430307.db2.gz YACZWXIRVGCIKR-OAHLLOKOSA-N 1 2 425.511 -0.304 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000432330225 1071451627 /nfs/dbraw/zinc/45/16/27/1071451627.db2.gz YTWRXJSBDCGJHI-DLBZAZTESA-N 1 2 432.529 -0.325 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000432330226 1071451552 /nfs/dbraw/zinc/45/15/52/1071451552.db2.gz YTWRXJSBDCGJHI-IAGOWNOFSA-N 1 2 432.529 -0.325 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000432330227 1071451394 /nfs/dbraw/zinc/45/13/94/1071451394.db2.gz YTWRXJSBDCGJHI-IRXDYDNUSA-N 1 2 432.529 -0.325 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000432330228 1071452183 /nfs/dbraw/zinc/45/21/83/1071452183.db2.gz YTWRXJSBDCGJHI-SJORKVTESA-N 1 2 432.529 -0.325 20 0 IBADLO CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000432515889 1071472283 /nfs/dbraw/zinc/47/22/83/1071472283.db2.gz AIXPHQYIFOZRFJ-INIZCTEOSA-N 1 2 432.591 -0.642 20 0 IBADLO CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000432515890 1071472333 /nfs/dbraw/zinc/47/23/33/1071472333.db2.gz AIXPHQYIFOZRFJ-MRXNPFEDSA-N 1 2 432.591 -0.642 20 0 IBADLO O=C(CNC(=O)c1cnc2ccccc2c1O)NCCCCN1CC[NH+](CCO)CC1 ZINC000432523661 1071473212 /nfs/dbraw/zinc/47/32/12/1071473212.db2.gz OFTCAJYNQOIJHM-UHFFFAOYSA-N 1 2 429.521 -0.236 20 0 IBADLO O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432523661 1071473199 /nfs/dbraw/zinc/47/31/99/1071473199.db2.gz OFTCAJYNQOIJHM-UHFFFAOYSA-N 1 2 429.521 -0.236 20 0 IBADLO Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000432648793 1071483218 /nfs/dbraw/zinc/48/32/18/1071483218.db2.gz XXEJEBTUPZRHMX-WMZOPIPTSA-N 1 2 440.570 -0.557 20 0 IBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000432665129 1071483756 /nfs/dbraw/zinc/48/37/56/1071483756.db2.gz GUTXAFYJPMWKDG-KRWDZBQOSA-N 1 2 440.570 -0.074 20 0 IBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000432665129 1071483747 /nfs/dbraw/zinc/48/37/47/1071483747.db2.gz GUTXAFYJPMWKDG-KRWDZBQOSA-N 1 2 440.570 -0.074 20 0 IBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000432665131 1071483917 /nfs/dbraw/zinc/48/39/17/1071483917.db2.gz GUTXAFYJPMWKDG-QGZVFWFLSA-N 1 2 440.570 -0.074 20 0 IBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000432665131 1071483908 /nfs/dbraw/zinc/48/39/08/1071483908.db2.gz GUTXAFYJPMWKDG-QGZVFWFLSA-N 1 2 440.570 -0.074 20 0 IBADLO Cc1cc(F)cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000432745400 1071500760 /nfs/dbraw/zinc/50/07/60/1071500760.db2.gz TXNYAQXBLPDWTB-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000432773556 1071504825 /nfs/dbraw/zinc/50/48/25/1071504825.db2.gz HOWAPMIBJWEUBF-CALCHBBNSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000432773556 1071504819 /nfs/dbraw/zinc/50/48/19/1071504819.db2.gz HOWAPMIBJWEUBF-CALCHBBNSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000432773556 1071504814 /nfs/dbraw/zinc/50/48/14/1071504814.db2.gz HOWAPMIBJWEUBF-CALCHBBNSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000432773556 1071504808 /nfs/dbraw/zinc/50/48/08/1071504808.db2.gz HOWAPMIBJWEUBF-CALCHBBNSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000432773557 1071504726 /nfs/dbraw/zinc/50/47/26/1071504726.db2.gz HOWAPMIBJWEUBF-IAGOWNOFSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000432773557 1071504719 /nfs/dbraw/zinc/50/47/19/1071504719.db2.gz HOWAPMIBJWEUBF-IAGOWNOFSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000432773558 1071504879 /nfs/dbraw/zinc/50/48/79/1071504879.db2.gz HOWAPMIBJWEUBF-IRXDYDNUSA-N 1 2 442.476 -0.833 20 0 IBADLO COc1cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000432773558 1071504869 /nfs/dbraw/zinc/50/48/69/1071504869.db2.gz HOWAPMIBJWEUBF-IRXDYDNUSA-N 1 2 442.476 -0.833 20 0 IBADLO CC(C)NS(=O)(=O)c1cccnc1N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000432875046 1071527143 /nfs/dbraw/zinc/52/71/43/1071527143.db2.gz FRBBZBSZEOILFB-UHFFFAOYSA-N 1 2 446.599 -0.618 20 0 IBADLO CCCn1c(N)c(C(=O)C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000433040895 1071558104 /nfs/dbraw/zinc/55/81/04/1071558104.db2.gz SKPOWHXGMBGWDV-UHFFFAOYSA-N 1 2 439.494 -0.218 20 0 IBADLO CCCn1c(N)c(C(=O)C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000433040895 1071558095 /nfs/dbraw/zinc/55/80/95/1071558095.db2.gz SKPOWHXGMBGWDV-UHFFFAOYSA-N 1 2 439.494 -0.218 20 0 IBADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000433047759 1071558171 /nfs/dbraw/zinc/55/81/71/1071558171.db2.gz YISWBOZBTGENKB-UHFFFAOYSA-N 1 2 437.478 -0.293 20 0 IBADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000433047759 1071558160 /nfs/dbraw/zinc/55/81/60/1071558160.db2.gz YISWBOZBTGENKB-UHFFFAOYSA-N 1 2 437.478 -0.293 20 0 IBADLO CCn1c(N)c(C(=O)C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000433055746 1071559081 /nfs/dbraw/zinc/55/90/81/1071559081.db2.gz BSKOOOOZCUJZDB-UHFFFAOYSA-N 1 2 425.467 -0.608 20 0 IBADLO CCn1c(N)c(C(=O)C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000433055746 1071559077 /nfs/dbraw/zinc/55/90/77/1071559077.db2.gz BSKOOOOZCUJZDB-UHFFFAOYSA-N 1 2 425.467 -0.608 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000433064787 1073335134 /nfs/dbraw/zinc/33/51/34/1073335134.db2.gz ZCTILCGKPGCUAP-INIZCTEOSA-N 1 2 426.543 0.247 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000433064788 1073335078 /nfs/dbraw/zinc/33/50/78/1073335078.db2.gz ZCTILCGKPGCUAP-MRXNPFEDSA-N 1 2 426.543 0.247 20 0 IBADLO CC(C)OC[C@H](CO)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433282602 1071577382 /nfs/dbraw/zinc/57/73/82/1071577382.db2.gz AGJZEVXSUGCBQA-KRWDZBQOSA-N 1 2 443.570 -0.039 20 0 IBADLO CC(C)OC[C@@H](CO)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433282606 1071577491 /nfs/dbraw/zinc/57/74/91/1071577491.db2.gz AGJZEVXSUGCBQA-QGZVFWFLSA-N 1 2 443.570 -0.039 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000433333354 1071581567 /nfs/dbraw/zinc/58/15/67/1071581567.db2.gz GLUOERDOFFYBQE-UHFFFAOYSA-N 1 2 425.555 -0.286 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000433413030 1071586213 /nfs/dbraw/zinc/58/62/13/1071586213.db2.gz KOJWPZXCPNLDFZ-UHFFFAOYSA-N 1 2 436.531 -0.018 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1OC ZINC000433414465 1071586193 /nfs/dbraw/zinc/58/61/93/1071586193.db2.gz XEYDSXFWMVLZEP-HNNXBMFYSA-N 1 2 446.526 -0.566 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1OC ZINC000433414466 1071586172 /nfs/dbraw/zinc/58/61/72/1071586172.db2.gz XEYDSXFWMVLZEP-OAHLLOKOSA-N 1 2 446.526 -0.566 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000433468075 1071593702 /nfs/dbraw/zinc/59/37/02/1071593702.db2.gz CHVOAXUVVGDTRW-INIZCTEOSA-N 1 2 425.559 -0.290 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000433468076 1071593714 /nfs/dbraw/zinc/59/37/14/1071593714.db2.gz CHVOAXUVVGDTRW-MRXNPFEDSA-N 1 2 425.559 -0.290 20 0 IBADLO CCn1cncc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433618069 1071616760 /nfs/dbraw/zinc/61/67/60/1071616760.db2.gz QJDYPOXOEAQAGX-UHFFFAOYSA-N 1 2 428.540 -0.272 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000433618410 1071616576 /nfs/dbraw/zinc/61/65/76/1071616576.db2.gz RNTGSURGAHHAEL-INIZCTEOSA-N 1 2 426.543 -0.473 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000433618410 1071616573 /nfs/dbraw/zinc/61/65/73/1071616573.db2.gz RNTGSURGAHHAEL-INIZCTEOSA-N 1 2 426.543 -0.473 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000433618412 1071616715 /nfs/dbraw/zinc/61/67/15/1071616715.db2.gz RNTGSURGAHHAEL-MRXNPFEDSA-N 1 2 426.543 -0.473 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000433618412 1071616710 /nfs/dbraw/zinc/61/67/10/1071616710.db2.gz RNTGSURGAHHAEL-MRXNPFEDSA-N 1 2 426.543 -0.473 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nn1 ZINC000433707738 1071623687 /nfs/dbraw/zinc/62/36/87/1071623687.db2.gz OFVUIBABXQFUBH-KRWDZBQOSA-N 1 2 432.481 -0.282 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nn1 ZINC000433707740 1071623708 /nfs/dbraw/zinc/62/37/08/1071623708.db2.gz OFVUIBABXQFUBH-QGZVFWFLSA-N 1 2 432.481 -0.282 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000433806569 1071627768 /nfs/dbraw/zinc/62/77/68/1071627768.db2.gz VUOVFMDFTSUUQP-HNNXBMFYSA-N 1 2 426.543 -0.368 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000433806569 1071627766 /nfs/dbraw/zinc/62/77/66/1071627766.db2.gz VUOVFMDFTSUUQP-HNNXBMFYSA-N 1 2 426.543 -0.368 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000433806570 1071627847 /nfs/dbraw/zinc/62/78/47/1071627847.db2.gz VUOVFMDFTSUUQP-OAHLLOKOSA-N 1 2 426.543 -0.368 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000433806570 1071627843 /nfs/dbraw/zinc/62/78/43/1071627843.db2.gz VUOVFMDFTSUUQP-OAHLLOKOSA-N 1 2 426.543 -0.368 20 0 IBADLO C[C@H]1OCC[C@@]1(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433936662 1071636216 /nfs/dbraw/zinc/63/62/16/1071636216.db2.gz LVFMTZCVRBWHJV-CRAIPNDOSA-N 1 2 427.527 -0.628 20 0 IBADLO C[C@@H]1OCC[C@@]1(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433936663 1071636049 /nfs/dbraw/zinc/63/60/49/1071636049.db2.gz LVFMTZCVRBWHJV-MAUKXSAKSA-N 1 2 427.527 -0.628 20 0 IBADLO C[C@H]1OCC[C@]1(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433936664 1071636055 /nfs/dbraw/zinc/63/60/55/1071636055.db2.gz LVFMTZCVRBWHJV-QAPCUYQASA-N 1 2 427.527 -0.628 20 0 IBADLO C[C@@H]1OCC[C@]1(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433936665 1071636102 /nfs/dbraw/zinc/63/61/02/1071636102.db2.gz LVFMTZCVRBWHJV-YJBOKZPZSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000433947169 1071635481 /nfs/dbraw/zinc/63/54/81/1071635481.db2.gz AOYKVTOFYSJWGB-IBGZPJMESA-N 1 2 436.538 -0.545 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000433947170 1071635447 /nfs/dbraw/zinc/63/54/47/1071635447.db2.gz AOYKVTOFYSJWGB-LJQANCHMSA-N 1 2 436.538 -0.545 20 0 IBADLO Cn1c2ncn(CCC(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)c2c(=O)n(C)c1=O ZINC000433960542 1071636712 /nfs/dbraw/zinc/63/67/12/1071636712.db2.gz YITFOQLMQQMVQX-UHFFFAOYSA-N 1 2 439.476 -0.694 20 0 IBADLO Cn1c2ncn(CCC(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)c2c(=O)n(C)c1=O ZINC000433960542 1071636705 /nfs/dbraw/zinc/63/67/05/1071636705.db2.gz YITFOQLMQQMVQX-UHFFFAOYSA-N 1 2 439.476 -0.694 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000434128086 1071673388 /nfs/dbraw/zinc/67/33/88/1071673388.db2.gz KDKXMOZSUXYJCO-INIZCTEOSA-N 1 2 433.575 -0.610 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000434128087 1071673561 /nfs/dbraw/zinc/67/35/61/1071673561.db2.gz KDKXMOZSUXYJCO-MRXNPFEDSA-N 1 2 433.575 -0.610 20 0 IBADLO C[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCN1c1nccn2cnnc12 ZINC000434223589 1071741422 /nfs/dbraw/zinc/74/14/22/1071741422.db2.gz VTGPUDUTXQFUTE-INIZCTEOSA-N 1 2 440.512 0.396 20 0 IBADLO C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCN1c1nccn2cnnc12 ZINC000434223590 1071741391 /nfs/dbraw/zinc/74/13/91/1071741391.db2.gz VTGPUDUTXQFUTE-MRXNPFEDSA-N 1 2 440.512 0.396 20 0 IBADLO CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000434225787 1071773387 /nfs/dbraw/zinc/77/33/87/1071773387.db2.gz LUUNRIVLAZTOTN-INIZCTEOSA-N 1 2 432.591 -0.499 20 0 IBADLO CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000434225788 1071773501 /nfs/dbraw/zinc/77/35/01/1071773501.db2.gz LUUNRIVLAZTOTN-MRXNPFEDSA-N 1 2 432.591 -0.499 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434268687 1071775148 /nfs/dbraw/zinc/77/51/48/1071775148.db2.gz XGOZOEXMXWYEJA-KRWDZBQOSA-N 1 2 437.570 -0.192 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434268692 1071775122 /nfs/dbraw/zinc/77/51/22/1071775122.db2.gz XGOZOEXMXWYEJA-QGZVFWFLSA-N 1 2 437.570 -0.192 20 0 IBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cc2)[nH]1 ZINC000434322152 1071776035 /nfs/dbraw/zinc/77/60/35/1071776035.db2.gz BGQBJAYHOYARLY-NRFANRHFSA-N 1 2 432.477 -0.306 20 0 IBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cc2)[nH]1 ZINC000434322153 1071776117 /nfs/dbraw/zinc/77/61/17/1071776117.db2.gz BGQBJAYHOYARLY-OAQYLSRUSA-N 1 2 432.477 -0.306 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000434392931 1071778946 /nfs/dbraw/zinc/77/89/46/1071778946.db2.gz FBJVHAYDWUKWIC-HNNXBMFYSA-N 1 2 428.559 -0.065 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000434392932 1071778904 /nfs/dbraw/zinc/77/89/04/1071778904.db2.gz FBJVHAYDWUKWIC-OAHLLOKOSA-N 1 2 428.559 -0.065 20 0 IBADLO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1nccn2cnnc12 ZINC000434440940 1071781319 /nfs/dbraw/zinc/78/13/19/1071781319.db2.gz DXPMSNJKRGBJFG-DLBZAZTESA-N 1 2 442.524 -0.658 20 0 IBADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1nccn2cnnc12 ZINC000434440941 1071781239 /nfs/dbraw/zinc/78/12/39/1071781239.db2.gz DXPMSNJKRGBJFG-IAGOWNOFSA-N 1 2 442.524 -0.658 20 0 IBADLO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1nccn2cnnc12 ZINC000434440942 1071781223 /nfs/dbraw/zinc/78/12/23/1071781223.db2.gz DXPMSNJKRGBJFG-IRXDYDNUSA-N 1 2 442.524 -0.658 20 0 IBADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1nccn2cnnc12 ZINC000434440943 1071781438 /nfs/dbraw/zinc/78/14/38/1071781438.db2.gz DXPMSNJKRGBJFG-SJORKVTESA-N 1 2 442.524 -0.658 20 0 IBADLO CCn1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=O ZINC000434447279 1071780006 /nfs/dbraw/zinc/78/00/06/1071780006.db2.gz UMMZUVSABLQSMS-UHFFFAOYSA-N 1 2 426.543 -0.812 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000434478191 1071782944 /nfs/dbraw/zinc/78/29/44/1071782944.db2.gz SSDWFJMCHCNKOE-UHFFFAOYSA-N 1 2 427.527 -0.001 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434478639 1071783187 /nfs/dbraw/zinc/78/31/87/1071783187.db2.gz VRZFANAUNSBCJU-VSZNYVQBSA-N 1 2 445.582 -0.752 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434478640 1071782920 /nfs/dbraw/zinc/78/29/20/1071782920.db2.gz VRZFANAUNSBCJU-WNRNVDISSA-N 1 2 445.582 -0.752 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434478641 1071783092 /nfs/dbraw/zinc/78/30/92/1071783092.db2.gz VRZFANAUNSBCJU-XLAORIBOSA-N 1 2 445.582 -0.752 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434478642 1071783003 /nfs/dbraw/zinc/78/30/03/1071783003.db2.gz VRZFANAUNSBCJU-XMTFNYHQSA-N 1 2 445.582 -0.752 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000434482362 1071783073 /nfs/dbraw/zinc/78/30/73/1071783073.db2.gz HQUPBFUQHKDTTP-PBHICJAKSA-N 1 2 432.477 -0.932 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000434482367 1071783045 /nfs/dbraw/zinc/78/30/45/1071783045.db2.gz HQUPBFUQHKDTTP-RHSMWYFYSA-N 1 2 432.477 -0.932 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000434482370 1071783022 /nfs/dbraw/zinc/78/30/22/1071783022.db2.gz HQUPBFUQHKDTTP-WMLDXEAASA-N 1 2 432.477 -0.932 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000434482373 1071783165 /nfs/dbraw/zinc/78/31/65/1071783165.db2.gz HQUPBFUQHKDTTP-YOEHRIQHSA-N 1 2 432.477 -0.932 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000434484500 1071783112 /nfs/dbraw/zinc/78/31/12/1071783112.db2.gz QGJQNQHGECHGLW-KRWDZBQOSA-N 1 2 443.570 -0.421 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000434484501 1071783145 /nfs/dbraw/zinc/78/31/45/1071783145.db2.gz QGJQNQHGECHGLW-QGZVFWFLSA-N 1 2 443.570 -0.421 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000434490173 1071783740 /nfs/dbraw/zinc/78/37/40/1071783740.db2.gz WVFBSRSADLUAEY-INIZCTEOSA-N 1 2 427.523 -0.527 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000434490175 1071783633 /nfs/dbraw/zinc/78/36/33/1071783633.db2.gz WVFBSRSADLUAEY-MRXNPFEDSA-N 1 2 427.523 -0.527 20 0 IBADLO CC(=O)Nc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000434550277 1071785446 /nfs/dbraw/zinc/78/54/46/1071785446.db2.gz UWZYIRYXZICQFB-UHFFFAOYSA-N 1 2 439.542 -0.641 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434575291 1073334040 /nfs/dbraw/zinc/33/40/40/1073334040.db2.gz LNOQYGFPZFLWMF-DZGCQCFKSA-N 1 2 433.431 0.316 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434575292 1071788278 /nfs/dbraw/zinc/78/82/78/1071788278.db2.gz LNOQYGFPZFLWMF-HIFRSBDPSA-N 1 2 433.431 0.316 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434575293 1073333961 /nfs/dbraw/zinc/33/39/61/1073333961.db2.gz LNOQYGFPZFLWMF-UKRRQHHQSA-N 1 2 433.431 0.316 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434575294 1073333820 /nfs/dbraw/zinc/33/38/20/1073333820.db2.gz LNOQYGFPZFLWMF-ZFWWWQNUSA-N 1 2 433.431 0.316 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580061 1071788327 /nfs/dbraw/zinc/78/83/27/1071788327.db2.gz FTNPLBXDVKBTDI-FHWLQOOXSA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580061 1071788309 /nfs/dbraw/zinc/78/83/09/1071788309.db2.gz FTNPLBXDVKBTDI-FHWLQOOXSA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580062 1071788964 /nfs/dbraw/zinc/78/89/64/1071788964.db2.gz FTNPLBXDVKBTDI-OTWHNJEPSA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580062 1071788952 /nfs/dbraw/zinc/78/89/52/1071788952.db2.gz FTNPLBXDVKBTDI-OTWHNJEPSA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580063 1071789091 /nfs/dbraw/zinc/78/90/91/1071789091.db2.gz FTNPLBXDVKBTDI-QRVBRYPASA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580063 1071789077 /nfs/dbraw/zinc/78/90/77/1071789077.db2.gz FTNPLBXDVKBTDI-QRVBRYPASA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580064 1071789019 /nfs/dbraw/zinc/78/90/19/1071789019.db2.gz FTNPLBXDVKBTDI-QYZOEREBSA-N 1 2 436.553 -0.205 20 0 IBADLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434580064 1071789017 /nfs/dbraw/zinc/78/90/17/1071789017.db2.gz FTNPLBXDVKBTDI-QYZOEREBSA-N 1 2 436.553 -0.205 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1OC ZINC000434604556 1071790256 /nfs/dbraw/zinc/79/02/56/1071790256.db2.gz BVCMXLUPKLZOOA-AWEZNQCLSA-N 1 2 444.510 -0.995 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1OC ZINC000434604556 1071790244 /nfs/dbraw/zinc/79/02/44/1071790244.db2.gz BVCMXLUPKLZOOA-AWEZNQCLSA-N 1 2 444.510 -0.995 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1OC ZINC000434604558 1071790157 /nfs/dbraw/zinc/79/01/57/1071790157.db2.gz BVCMXLUPKLZOOA-CQSZACIVSA-N 1 2 444.510 -0.995 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1OC ZINC000434604558 1071790144 /nfs/dbraw/zinc/79/01/44/1071790144.db2.gz BVCMXLUPKLZOOA-CQSZACIVSA-N 1 2 444.510 -0.995 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434693050 1071474063 /nfs/dbraw/zinc/47/40/63/1071474063.db2.gz JWJPWRIGMPPJNC-UHFFFAOYSA-N 1 2 425.574 -0.968 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000434693050 1071474060 /nfs/dbraw/zinc/47/40/60/1071474060.db2.gz JWJPWRIGMPPJNC-UHFFFAOYSA-N 1 2 425.574 -0.968 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000434695880 1071794960 /nfs/dbraw/zinc/79/49/60/1071794960.db2.gz BIDDTVPCXPRECP-UHFFFAOYSA-N 1 2 448.568 -0.402 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000434695880 1071794949 /nfs/dbraw/zinc/79/49/49/1071794949.db2.gz BIDDTVPCXPRECP-UHFFFAOYSA-N 1 2 448.568 -0.402 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000434696116 1071474859 /nfs/dbraw/zinc/47/48/59/1071474859.db2.gz WVOQTYWLNWZPMQ-KDURUIRLSA-N 1 2 425.574 -0.970 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000434696116 1071474854 /nfs/dbraw/zinc/47/48/54/1071474854.db2.gz WVOQTYWLNWZPMQ-KDURUIRLSA-N 1 2 425.574 -0.970 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000434727351 1071801245 /nfs/dbraw/zinc/80/12/45/1071801245.db2.gz QVSSDBZXYQJDGD-CYBMUJFWSA-N 1 2 439.494 -0.040 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000434727352 1071801219 /nfs/dbraw/zinc/80/12/19/1071801219.db2.gz QVSSDBZXYQJDGD-ZDUSSCGKSA-N 1 2 439.494 -0.040 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000434736866 1071806218 /nfs/dbraw/zinc/80/62/18/1071806218.db2.gz NAACUAKAWDVZEN-KRWDZBQOSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000434736866 1071806213 /nfs/dbraw/zinc/80/62/13/1071806213.db2.gz NAACUAKAWDVZEN-KRWDZBQOSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000434736867 1071806187 /nfs/dbraw/zinc/80/61/87/1071806187.db2.gz NAACUAKAWDVZEN-QGZVFWFLSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000434736867 1071806178 /nfs/dbraw/zinc/80/61/78/1071806178.db2.gz NAACUAKAWDVZEN-QGZVFWFLSA-N 1 2 443.614 -0.455 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434736968 1071805598 /nfs/dbraw/zinc/80/55/98/1071805598.db2.gz MSRLZQBTSAOKAC-INIZCTEOSA-N 1 2 444.579 -0.507 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434736968 1071805578 /nfs/dbraw/zinc/80/55/78/1071805578.db2.gz MSRLZQBTSAOKAC-INIZCTEOSA-N 1 2 444.579 -0.507 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434736969 1071805465 /nfs/dbraw/zinc/80/54/65/1071805465.db2.gz MSRLZQBTSAOKAC-MRXNPFEDSA-N 1 2 444.579 -0.507 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434736969 1071805445 /nfs/dbraw/zinc/80/54/45/1071805445.db2.gz MSRLZQBTSAOKAC-MRXNPFEDSA-N 1 2 444.579 -0.507 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)S(C)(=O)=O ZINC000434746677 1071805247 /nfs/dbraw/zinc/80/52/47/1071805247.db2.gz NIPYVMHSSDAXAV-INIZCTEOSA-N 1 2 438.616 -0.337 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)S(C)(=O)=O ZINC000434746677 1071805233 /nfs/dbraw/zinc/80/52/33/1071805233.db2.gz NIPYVMHSSDAXAV-INIZCTEOSA-N 1 2 438.616 -0.337 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)S(C)(=O)=O ZINC000434746678 1071805406 /nfs/dbraw/zinc/80/54/06/1071805406.db2.gz NIPYVMHSSDAXAV-MRXNPFEDSA-N 1 2 438.616 -0.337 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)S(C)(=O)=O ZINC000434746678 1071805388 /nfs/dbraw/zinc/80/53/88/1071805388.db2.gz NIPYVMHSSDAXAV-MRXNPFEDSA-N 1 2 438.616 -0.337 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434766311 1071806904 /nfs/dbraw/zinc/80/69/04/1071806904.db2.gz OYVQSDSFOLDUKD-AWEZNQCLSA-N 1 2 426.495 -0.525 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434766312 1071806582 /nfs/dbraw/zinc/80/65/82/1071806582.db2.gz OYVQSDSFOLDUKD-CQSZACIVSA-N 1 2 426.495 -0.525 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N[C@H]3CCOC3)c2)CC1 ZINC000434770702 1071807202 /nfs/dbraw/zinc/80/72/02/1071807202.db2.gz WAMNOKPVQRCYNN-HNNXBMFYSA-N 1 2 440.522 -0.135 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N[C@@H]3CCOC3)c2)CC1 ZINC000434770703 1071807406 /nfs/dbraw/zinc/80/74/06/1071807406.db2.gz WAMNOKPVQRCYNN-OAHLLOKOSA-N 1 2 440.522 -0.135 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 ZINC000434770901 1071807501 /nfs/dbraw/zinc/80/75/01/1071807501.db2.gz YTMJKHPRFFMPRS-UHFFFAOYSA-N 1 2 428.511 -0.278 20 0 IBADLO CCCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000434791777 1071808532 /nfs/dbraw/zinc/80/85/32/1071808532.db2.gz FATNRKWLLCBNFL-UHFFFAOYSA-N 1 2 444.583 -0.330 20 0 IBADLO Cc1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000434792327 1071808793 /nfs/dbraw/zinc/80/87/93/1071808793.db2.gz GVUGOGKGXSGPPZ-UHFFFAOYSA-N 1 2 430.556 -0.665 20 0 IBADLO CCc1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000434792676 1071808665 /nfs/dbraw/zinc/80/86/65/1071808665.db2.gz IOZPRCMXBMYPDF-UHFFFAOYSA-N 1 2 444.583 -0.411 20 0 IBADLO CCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000434793093 1071808566 /nfs/dbraw/zinc/80/85/66/1071808566.db2.gz HHGJVHVSGUVZSA-UHFFFAOYSA-N 1 2 430.556 -0.720 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000434793939 1071808850 /nfs/dbraw/zinc/80/88/50/1071808850.db2.gz LKVXMSDMOQWWNJ-FQEVSTJZSA-N 1 2 449.512 -0.252 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000434793939 1071808840 /nfs/dbraw/zinc/80/88/40/1071808840.db2.gz LKVXMSDMOQWWNJ-FQEVSTJZSA-N 1 2 449.512 -0.252 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000434793940 1071808763 /nfs/dbraw/zinc/80/87/63/1071808763.db2.gz LKVXMSDMOQWWNJ-HXUWFJFHSA-N 1 2 449.512 -0.252 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000434793940 1071808750 /nfs/dbraw/zinc/80/87/50/1071808750.db2.gz LKVXMSDMOQWWNJ-HXUWFJFHSA-N 1 2 449.512 -0.252 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1OC ZINC000434953614 1071827135 /nfs/dbraw/zinc/82/71/35/1071827135.db2.gz CHYZVBPTXHZOQI-UHFFFAOYSA-N 1 2 440.522 -0.135 20 0 IBADLO CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434976606 1071829097 /nfs/dbraw/zinc/82/90/97/1071829097.db2.gz DBCTZCODLPKQJT-GOSISDBHSA-N 1 2 440.566 -0.856 20 0 IBADLO CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434976607 1071829153 /nfs/dbraw/zinc/82/91/53/1071829153.db2.gz DBCTZCODLPKQJT-SFHVURJKSA-N 1 2 440.566 -0.856 20 0 IBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000434978351 1071829125 /nfs/dbraw/zinc/82/91/25/1071829125.db2.gz VEXYPHNGULSSDM-UHFFFAOYSA-N 1 2 447.540 -0.301 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434980542 1071827813 /nfs/dbraw/zinc/82/78/13/1071827813.db2.gz ADYGNFFPNFXPCN-DOTOQJQBSA-N 1 2 428.555 -0.111 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434980543 1071827789 /nfs/dbraw/zinc/82/77/89/1071827789.db2.gz ADYGNFFPNFXPCN-NVXWUHKLSA-N 1 2 428.555 -0.111 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434980544 1071827548 /nfs/dbraw/zinc/82/75/48/1071827548.db2.gz ADYGNFFPNFXPCN-RDJZCZTQSA-N 1 2 428.555 -0.111 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434980545 1071827858 /nfs/dbraw/zinc/82/78/58/1071827858.db2.gz ADYGNFFPNFXPCN-WBVHZDCISA-N 1 2 428.555 -0.111 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982063 1071827583 /nfs/dbraw/zinc/82/75/83/1071827583.db2.gz JYRNGQVLLDTKSS-INIZCTEOSA-N 1 2 444.554 -0.491 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982063 1071827572 /nfs/dbraw/zinc/82/75/72/1071827572.db2.gz JYRNGQVLLDTKSS-INIZCTEOSA-N 1 2 444.554 -0.491 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982164 1071827671 /nfs/dbraw/zinc/82/76/71/1071827671.db2.gz JYRNGQVLLDTKSS-MRXNPFEDSA-N 1 2 444.554 -0.491 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982164 1071827658 /nfs/dbraw/zinc/82/76/58/1071827658.db2.gz JYRNGQVLLDTKSS-MRXNPFEDSA-N 1 2 444.554 -0.491 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434998620 1071831171 /nfs/dbraw/zinc/83/11/71/1071831171.db2.gz BWWCTTOLWCWOJP-GDBMZVCRSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434998620 1071831165 /nfs/dbraw/zinc/83/11/65/1071831165.db2.gz BWWCTTOLWCWOJP-GDBMZVCRSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434998625 1071831378 /nfs/dbraw/zinc/83/13/78/1071831378.db2.gz BWWCTTOLWCWOJP-GOEBONIOSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434998625 1071831374 /nfs/dbraw/zinc/83/13/74/1071831374.db2.gz BWWCTTOLWCWOJP-GOEBONIOSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434998628 1071831244 /nfs/dbraw/zinc/83/12/44/1071831244.db2.gz BWWCTTOLWCWOJP-HOCLYGCPSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434998628 1071831239 /nfs/dbraw/zinc/83/12/39/1071831239.db2.gz BWWCTTOLWCWOJP-HOCLYGCPSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434998630 1071831290 /nfs/dbraw/zinc/83/12/90/1071831290.db2.gz BWWCTTOLWCWOJP-ZBFHGGJFSA-N 1 2 426.539 -0.764 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434998630 1071831286 /nfs/dbraw/zinc/83/12/86/1071831286.db2.gz BWWCTTOLWCWOJP-ZBFHGGJFSA-N 1 2 426.539 -0.764 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000037 1071831346 /nfs/dbraw/zinc/83/13/46/1071831346.db2.gz LMWPIQSFRDRRHF-KRWDZBQOSA-N 1 2 428.555 -0.191 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000037 1071831340 /nfs/dbraw/zinc/83/13/40/1071831340.db2.gz LMWPIQSFRDRRHF-KRWDZBQOSA-N 1 2 428.555 -0.191 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000038 1071831212 /nfs/dbraw/zinc/83/12/12/1071831212.db2.gz LMWPIQSFRDRRHF-QGZVFWFLSA-N 1 2 428.555 -0.191 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000038 1071831208 /nfs/dbraw/zinc/83/12/08/1071831208.db2.gz LMWPIQSFRDRRHF-QGZVFWFLSA-N 1 2 428.555 -0.191 20 0 IBADLO CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000435000918 1071829745 /nfs/dbraw/zinc/82/97/45/1071829745.db2.gz UWDHUNZIHCTGSY-FQEVSTJZSA-N 1 2 434.537 -0.600 20 0 IBADLO CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435000921 1071829651 /nfs/dbraw/zinc/82/96/51/1071829651.db2.gz UWDHUNZIHCTGSY-HXUWFJFHSA-N 1 2 434.537 -0.600 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435021673 1071833014 /nfs/dbraw/zinc/83/30/14/1071833014.db2.gz RGEHBIOQDBIPIX-DZGCQCFKSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435021673 1071833007 /nfs/dbraw/zinc/83/30/07/1071833007.db2.gz RGEHBIOQDBIPIX-DZGCQCFKSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435021674 1071833158 /nfs/dbraw/zinc/83/31/58/1071833158.db2.gz RGEHBIOQDBIPIX-HIFRSBDPSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435021674 1071833148 /nfs/dbraw/zinc/83/31/48/1071833148.db2.gz RGEHBIOQDBIPIX-HIFRSBDPSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435021675 1071833251 /nfs/dbraw/zinc/83/32/51/1071833251.db2.gz RGEHBIOQDBIPIX-UKRRQHHQSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435021675 1071833240 /nfs/dbraw/zinc/83/32/40/1071833240.db2.gz RGEHBIOQDBIPIX-UKRRQHHQSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435021676 1071833057 /nfs/dbraw/zinc/83/30/57/1071833057.db2.gz RGEHBIOQDBIPIX-ZFWWWQNUSA-N 1 2 440.522 -0.137 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435021676 1071833049 /nfs/dbraw/zinc/83/30/49/1071833049.db2.gz RGEHBIOQDBIPIX-ZFWWWQNUSA-N 1 2 440.522 -0.137 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000435022122 1071833287 /nfs/dbraw/zinc/83/32/87/1071833287.db2.gz UTXQWJCDVJTMQJ-CYBMUJFWSA-N 1 2 428.511 -0.279 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000435022122 1071833275 /nfs/dbraw/zinc/83/32/75/1071833275.db2.gz UTXQWJCDVJTMQJ-CYBMUJFWSA-N 1 2 428.511 -0.279 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000435022123 1071832989 /nfs/dbraw/zinc/83/29/89/1071832989.db2.gz UTXQWJCDVJTMQJ-ZDUSSCGKSA-N 1 2 428.511 -0.279 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000435022123 1071832981 /nfs/dbraw/zinc/83/29/81/1071832981.db2.gz UTXQWJCDVJTMQJ-ZDUSSCGKSA-N 1 2 428.511 -0.279 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1)NC(=O)NCC(F)(F)F ZINC000435029739 1071834654 /nfs/dbraw/zinc/83/46/54/1071834654.db2.gz ZUYDWUHYTFWDCC-UHFFFAOYSA-N 1 2 427.405 -0.100 20 0 IBADLO COCCOc1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000435045664 1071834629 /nfs/dbraw/zinc/83/46/29/1071834629.db2.gz ZYWCROWFIKGGKC-UHFFFAOYSA-N 1 2 440.566 -0.109 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000435086373 1071835817 /nfs/dbraw/zinc/83/58/17/1071835817.db2.gz BXQBITLWALLMFA-KRWDZBQOSA-N 1 2 442.538 -0.136 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000435086374 1071835773 /nfs/dbraw/zinc/83/57/73/1071835773.db2.gz BXQBITLWALLMFA-QGZVFWFLSA-N 1 2 442.538 -0.136 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000435144800 1071841800 /nfs/dbraw/zinc/84/18/00/1071841800.db2.gz AADKHJVAYZILOO-UHFFFAOYSA-N 1 2 432.481 -0.860 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000435144800 1071841795 /nfs/dbraw/zinc/84/17/95/1071841795.db2.gz AADKHJVAYZILOO-UHFFFAOYSA-N 1 2 432.481 -0.860 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C[C@H](C)O1 ZINC000435144968 1071841873 /nfs/dbraw/zinc/84/18/73/1071841873.db2.gz MKFAQTFACRJYKM-CALCHBBNSA-N 1 2 449.556 0.187 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C[C@H](C)O1 ZINC000435144968 1071841868 /nfs/dbraw/zinc/84/18/68/1071841868.db2.gz MKFAQTFACRJYKM-CALCHBBNSA-N 1 2 449.556 0.187 20 0 IBADLO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000435148744 1071841979 /nfs/dbraw/zinc/84/19/79/1071841979.db2.gz QRPCKAJYXXTHBJ-UHFFFAOYSA-N 1 2 446.552 -0.023 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000435152904 1071841153 /nfs/dbraw/zinc/84/11/53/1071841153.db2.gz DOVBVNDVKWSKNA-UHFFFAOYSA-N 1 2 436.513 -0.750 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000435152904 1071841143 /nfs/dbraw/zinc/84/11/43/1071841143.db2.gz DOVBVNDVKWSKNA-UHFFFAOYSA-N 1 2 436.513 -0.750 20 0 IBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000435153302 1071841224 /nfs/dbraw/zinc/84/12/24/1071841224.db2.gz HWUFJFVMGBVOGA-JFIYKMOQSA-N 1 2 438.529 -0.324 20 0 IBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000435153303 1071841047 /nfs/dbraw/zinc/84/10/47/1071841047.db2.gz HWUFJFVMGBVOGA-JZXOWHBKSA-N 1 2 438.529 -0.324 20 0 IBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000435153304 1071841126 /nfs/dbraw/zinc/84/11/26/1071841126.db2.gz HWUFJFVMGBVOGA-NUJGCVRESA-N 1 2 438.529 -0.324 20 0 IBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000435153305 1071841016 /nfs/dbraw/zinc/84/10/16/1071841016.db2.gz HWUFJFVMGBVOGA-SOLBZPMBSA-N 1 2 438.529 -0.324 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000435157468 1071841781 /nfs/dbraw/zinc/84/17/81/1071841781.db2.gz CHIAGEBGCZZLHS-BETUJISGSA-N 1 2 432.481 -0.862 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000435157468 1071841774 /nfs/dbraw/zinc/84/17/74/1071841774.db2.gz CHIAGEBGCZZLHS-BETUJISGSA-N 1 2 432.481 -0.862 20 0 IBADLO C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000435157501 1071841723 /nfs/dbraw/zinc/84/17/23/1071841723.db2.gz CWDZJEYMZRWLCE-CALCHBBNSA-N 1 2 446.552 -0.025 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000435161873 1071843141 /nfs/dbraw/zinc/84/31/41/1071843141.db2.gz VROUYYVOORJQPS-UHFFFAOYSA-N 1 2 449.556 0.188 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000435161873 1071843137 /nfs/dbraw/zinc/84/31/37/1071843137.db2.gz VROUYYVOORJQPS-UHFFFAOYSA-N 1 2 449.556 0.188 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H](C)O1 ZINC000435164825 1071843197 /nfs/dbraw/zinc/84/31/97/1071843197.db2.gz HQUYHRVXNWOFIH-IYBDPMFKSA-N 1 2 436.513 -0.752 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H](C)O1 ZINC000435164825 1071843189 /nfs/dbraw/zinc/84/31/89/1071843189.db2.gz HQUYHRVXNWOFIH-IYBDPMFKSA-N 1 2 436.513 -0.752 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000435166599 1071843127 /nfs/dbraw/zinc/84/31/27/1071843127.db2.gz SVFNPCWLJMOADO-INIZCTEOSA-N 1 2 430.527 -0.232 20 0 IBADLO COCCNS(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000435166600 1071843217 /nfs/dbraw/zinc/84/32/17/1071843217.db2.gz SVFNPCWLJMOADO-MRXNPFEDSA-N 1 2 430.527 -0.232 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1)N1CCOCC1 ZINC000435236641 1071851854 /nfs/dbraw/zinc/85/18/54/1071851854.db2.gz TXHLAJZSSXRZCR-MRXNPFEDSA-N 1 2 428.449 -0.245 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1)N1CCOCC1 ZINC000435240404 1071851885 /nfs/dbraw/zinc/85/18/85/1071851885.db2.gz NYVGJDAYKRMKNT-QGZVFWFLSA-N 1 2 428.449 -0.245 20 0 IBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000435252050 1071853890 /nfs/dbraw/zinc/85/38/90/1071853890.db2.gz NHJPHDHOGRICIR-INIZCTEOSA-N 1 2 432.525 -0.413 20 0 IBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000435252051 1071853725 /nfs/dbraw/zinc/85/37/25/1071853725.db2.gz NHJPHDHOGRICIR-MRXNPFEDSA-N 1 2 432.525 -0.413 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(=O)N(CC2CC2)C1 ZINC000435324133 1071860123 /nfs/dbraw/zinc/86/01/23/1071860123.db2.gz STFFCEJYTFFVPW-UHFFFAOYSA-N 1 2 436.538 -0.245 20 0 IBADLO CN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1cccs1 ZINC000435364392 1071864177 /nfs/dbraw/zinc/86/41/77/1071864177.db2.gz ZGYIJABHNAPVSM-HNNXBMFYSA-N 1 2 444.579 -0.335 20 0 IBADLO CN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1cccs1 ZINC000435364393 1071864755 /nfs/dbraw/zinc/86/47/55/1071864755.db2.gz ZGYIJABHNAPVSM-OAHLLOKOSA-N 1 2 444.579 -0.335 20 0 IBADLO CNS(=O)(=O)CC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000435369836 1071864541 /nfs/dbraw/zinc/86/45/41/1071864541.db2.gz MXXSVVNPJWGREP-UHFFFAOYSA-N 1 2 426.539 -0.563 20 0 IBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000435402896 1071866156 /nfs/dbraw/zinc/86/61/56/1071866156.db2.gz RPCDKNAHKBQDEK-KRWDZBQOSA-N 1 2 438.525 -0.915 20 0 IBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000435402897 1071866233 /nfs/dbraw/zinc/86/62/33/1071866233.db2.gz RPCDKNAHKBQDEK-QGZVFWFLSA-N 1 2 438.525 -0.915 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000435491747 1071870583 /nfs/dbraw/zinc/87/05/83/1071870583.db2.gz USZGUISMLFCEPX-GOSISDBHSA-N 1 2 434.541 -0.545 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000435491865 1071870530 /nfs/dbraw/zinc/87/05/30/1071870530.db2.gz USZGUISMLFCEPX-SFHVURJKSA-N 1 2 434.541 -0.545 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000435496012 1071871939 /nfs/dbraw/zinc/87/19/39/1071871939.db2.gz ITEDLRMPLRWLSN-KRWDZBQOSA-N 1 2 444.554 -0.866 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000435496013 1071871897 /nfs/dbraw/zinc/87/18/97/1071871897.db2.gz ITEDLRMPLRWLSN-QGZVFWFLSA-N 1 2 444.554 -0.866 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435564363 1071873262 /nfs/dbraw/zinc/87/32/62/1071873262.db2.gz BXZBNTRXVZHTRR-KRWDZBQOSA-N 1 2 444.554 -0.554 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435564364 1071873302 /nfs/dbraw/zinc/87/33/02/1071873302.db2.gz BXZBNTRXVZHTRR-QGZVFWFLSA-N 1 2 444.554 -0.554 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000435572165 1071874017 /nfs/dbraw/zinc/87/40/17/1071874017.db2.gz CNMFPRMUFAUCJZ-DZGCQCFKSA-N 1 2 440.522 -0.026 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000435572166 1071873859 /nfs/dbraw/zinc/87/38/59/1071873859.db2.gz CNMFPRMUFAUCJZ-HIFRSBDPSA-N 1 2 440.522 -0.026 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000435572167 1071873832 /nfs/dbraw/zinc/87/38/32/1071873832.db2.gz CNMFPRMUFAUCJZ-UKRRQHHQSA-N 1 2 440.522 -0.026 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000435572168 1071873724 /nfs/dbraw/zinc/87/37/24/1071873724.db2.gz CNMFPRMUFAUCJZ-ZFWWWQNUSA-N 1 2 440.522 -0.026 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000435575210 1071874748 /nfs/dbraw/zinc/87/47/48/1071874748.db2.gz CFZLSDXTVMKDIJ-INIZCTEOSA-N 1 2 425.530 -0.034 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000435575211 1071874443 /nfs/dbraw/zinc/87/44/43/1071874443.db2.gz CFZLSDXTVMKDIJ-MRXNPFEDSA-N 1 2 425.530 -0.034 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000435579801 1071876693 /nfs/dbraw/zinc/87/66/93/1071876693.db2.gz NEISUQQRMUXWMS-GOSISDBHSA-N 1 2 433.509 -0.907 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000435579803 1071876883 /nfs/dbraw/zinc/87/68/83/1071876883.db2.gz NEISUQQRMUXWMS-SFHVURJKSA-N 1 2 433.509 -0.907 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435580482 1071875412 /nfs/dbraw/zinc/87/54/12/1071875412.db2.gz UFBASXGNSXGUGJ-FQEVSTJZSA-N 1 2 433.553 -0.091 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435580483 1071875343 /nfs/dbraw/zinc/87/53/43/1071875343.db2.gz UFBASXGNSXGUGJ-HXUWFJFHSA-N 1 2 433.553 -0.091 20 0 IBADLO O=C(Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1)NC1CCCC1 ZINC000435584866 1071875904 /nfs/dbraw/zinc/87/59/04/1071875904.db2.gz QSKZFZYNSWZTMN-GOSISDBHSA-N 1 2 432.525 -0.395 20 0 IBADLO O=C(Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1)NC1CCCC1 ZINC000435584868 1071876074 /nfs/dbraw/zinc/87/60/74/1071876074.db2.gz QSKZFZYNSWZTMN-SFHVURJKSA-N 1 2 432.525 -0.395 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000435586475 1071876107 /nfs/dbraw/zinc/87/61/07/1071876107.db2.gz YYNBVYJDTFBMFT-HNNXBMFYSA-N 1 2 434.946 -0.047 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000435586477 1071875928 /nfs/dbraw/zinc/87/59/28/1071875928.db2.gz YYNBVYJDTFBMFT-OAHLLOKOSA-N 1 2 434.946 -0.047 20 0 IBADLO COCCNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000435610949 1071876815 /nfs/dbraw/zinc/87/68/15/1071876815.db2.gz OFOYXHASYWYLPO-KRWDZBQOSA-N 1 2 444.554 -0.554 20 0 IBADLO COCCNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000435610950 1071876720 /nfs/dbraw/zinc/87/67/20/1071876720.db2.gz OFOYXHASYWYLPO-QGZVFWFLSA-N 1 2 444.554 -0.554 20 0 IBADLO COc1cc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1OCC(=O)N(C)C ZINC000435612166 1071876739 /nfs/dbraw/zinc/87/67/39/1071876739.db2.gz FERQDWIFLOWUOR-KRWDZBQOSA-N 1 2 438.525 -0.003 20 0 IBADLO COc1cc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1OCC(=O)N(C)C ZINC000435612167 1071876851 /nfs/dbraw/zinc/87/68/51/1071876851.db2.gz FERQDWIFLOWUOR-QGZVFWFLSA-N 1 2 438.525 -0.003 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000435626250 1071878141 /nfs/dbraw/zinc/87/81/41/1071878141.db2.gz KBXCVHCHWMBWGA-MSOLQXFVSA-N 1 2 444.579 -0.606 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000435626250 1071878135 /nfs/dbraw/zinc/87/81/35/1071878135.db2.gz KBXCVHCHWMBWGA-MSOLQXFVSA-N 1 2 444.579 -0.606 20 0 IBADLO CC(=O)N[C@](C)(C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435708201 1071880699 /nfs/dbraw/zinc/88/06/99/1071880699.db2.gz WZKKQWWGNIIUHL-FQEVSTJZSA-N 1 2 448.549 -0.123 20 0 IBADLO CC(=O)N[C@@](C)(C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435708202 1071880627 /nfs/dbraw/zinc/88/06/27/1071880627.db2.gz WZKKQWWGNIIUHL-HXUWFJFHSA-N 1 2 448.549 -0.123 20 0 IBADLO CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435751219 1071881307 /nfs/dbraw/zinc/88/13/07/1071881307.db2.gz FFFPGQSMZTYWTP-FXAWDEMLSA-N 1 2 441.550 -0.407 20 0 IBADLO CC(=O)N[C@](C)(C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435751220 1071881429 /nfs/dbraw/zinc/88/14/29/1071881429.db2.gz FFFPGQSMZTYWTP-PXNSSMCTSA-N 1 2 441.550 -0.407 20 0 IBADLO CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435751221 1071881181 /nfs/dbraw/zinc/88/11/81/1071881181.db2.gz FFFPGQSMZTYWTP-XLIONFOSSA-N 1 2 441.550 -0.407 20 0 IBADLO CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000435751222 1071881385 /nfs/dbraw/zinc/88/13/85/1071881385.db2.gz FFFPGQSMZTYWTP-YLJYHZDGSA-N 1 2 441.550 -0.407 20 0 IBADLO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)s1 ZINC000435793124 1071883743 /nfs/dbraw/zinc/88/37/43/1071883743.db2.gz YMZBJYZYYCFVGO-HNNXBMFYSA-N 1 2 434.584 -0.022 20 0 IBADLO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)s1 ZINC000435793125 1071883902 /nfs/dbraw/zinc/88/39/02/1071883902.db2.gz YMZBJYZYYCFVGO-OAHLLOKOSA-N 1 2 434.584 -0.022 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H](OCCO)C1 ZINC000435793975 1071884129 /nfs/dbraw/zinc/88/41/29/1071884129.db2.gz GJAAKULRDVFAMA-KRWDZBQOSA-N 1 2 441.554 -0.284 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000435793976 1071883705 /nfs/dbraw/zinc/88/37/05/1071883705.db2.gz GJAAKULRDVFAMA-QGZVFWFLSA-N 1 2 441.554 -0.284 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N(CCO)C1CCOCC1 ZINC000435794424 1071883790 /nfs/dbraw/zinc/88/37/90/1071883790.db2.gz KLMRTRNRIPYBPZ-UHFFFAOYSA-N 1 2 441.554 -0.284 20 0 IBADLO COCCO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000435795203 1071883992 /nfs/dbraw/zinc/88/39/92/1071883992.db2.gz PSDNEOZHCPGVCP-KRWDZBQOSA-N 1 2 441.554 -0.020 20 0 IBADLO COCCO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000435795204 1071883952 /nfs/dbraw/zinc/88/39/52/1071883952.db2.gz PSDNEOZHCPGVCP-QGZVFWFLSA-N 1 2 441.554 -0.020 20 0 IBADLO CN(CC1(O)CCOCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000435796540 1071883765 /nfs/dbraw/zinc/88/37/65/1071883765.db2.gz WGVUGILQYKQCHT-UHFFFAOYSA-N 1 2 441.554 -0.284 20 0 IBADLO COCc1noc(CN2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)n1 ZINC000435875844 1071887959 /nfs/dbraw/zinc/88/79/59/1071887959.db2.gz FPSWIBYMDIXWRC-UHFFFAOYSA-N 1 2 445.528 -0.345 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000435892453 1071889190 /nfs/dbraw/zinc/88/91/90/1071889190.db2.gz GYAGPITYGDSYOS-HNNXBMFYSA-N 1 2 444.579 -0.368 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000435892454 1071889398 /nfs/dbraw/zinc/88/93/98/1071889398.db2.gz GYAGPITYGDSYOS-OAHLLOKOSA-N 1 2 444.579 -0.368 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000436224391 1071901438 /nfs/dbraw/zinc/90/14/38/1071901438.db2.gz QINWWFZOYIPXNB-UHFFFAOYSA-N 1 2 447.561 -0.315 20 0 IBADLO Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000436240842 1071902621 /nfs/dbraw/zinc/90/26/21/1071902621.db2.gz RVKNRKNDAZZOJV-HNNXBMFYSA-N 1 2 447.492 -0.312 20 0 IBADLO Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000436240843 1071903003 /nfs/dbraw/zinc/90/30/03/1071903003.db2.gz RVKNRKNDAZZOJV-OAHLLOKOSA-N 1 2 447.492 -0.312 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000436262135 1071904560 /nfs/dbraw/zinc/90/45/60/1071904560.db2.gz QKGSWBFBVGIKLM-RTWAWAEBSA-N 1 2 429.565 -0.196 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000436262135 1071904551 /nfs/dbraw/zinc/90/45/51/1071904551.db2.gz QKGSWBFBVGIKLM-RTWAWAEBSA-N 1 2 429.565 -0.196 20 0 IBADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380916 1071909250 /nfs/dbraw/zinc/90/92/50/1071909250.db2.gz FKJWTKPDPPXZTD-KBPBESRZSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380916 1071909243 /nfs/dbraw/zinc/90/92/43/1071909243.db2.gz FKJWTKPDPPXZTD-KBPBESRZSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380917 1071909365 /nfs/dbraw/zinc/90/93/65/1071909365.db2.gz FKJWTKPDPPXZTD-KGLIPLIRSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380917 1071909358 /nfs/dbraw/zinc/90/93/58/1071909358.db2.gz FKJWTKPDPPXZTD-KGLIPLIRSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380918 1071909342 /nfs/dbraw/zinc/90/93/42/1071909342.db2.gz FKJWTKPDPPXZTD-UONOGXRCSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380918 1071909338 /nfs/dbraw/zinc/90/93/38/1071909338.db2.gz FKJWTKPDPPXZTD-UONOGXRCSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380919 1071909313 /nfs/dbraw/zinc/90/93/13/1071909313.db2.gz FKJWTKPDPPXZTD-ZIAGYGMSSA-N 1 2 429.518 -0.376 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000436380919 1071909306 /nfs/dbraw/zinc/90/93/06/1071909306.db2.gz FKJWTKPDPPXZTD-ZIAGYGMSSA-N 1 2 429.518 -0.376 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CCN(C)C(=O)C3)cc2)CC1 ZINC000436415688 1071910705 /nfs/dbraw/zinc/91/07/05/1071910705.db2.gz SRGXHFXHQXSDGG-UHFFFAOYSA-N 1 2 445.564 -0.338 20 0 IBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O ZINC000436486153 1071915889 /nfs/dbraw/zinc/91/58/89/1071915889.db2.gz IKPZOJLFQYQCGQ-UHFFFAOYSA-N 1 2 442.538 -0.495 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000436506008 1071916433 /nfs/dbraw/zinc/91/64/33/1071916433.db2.gz BCCQLQUKXYSBED-UHFFFAOYSA-N 1 2 438.514 -0.523 20 0 IBADLO O=C(c1ccccc1O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000436746415 1071928632 /nfs/dbraw/zinc/92/86/32/1071928632.db2.gz GBKUCMCBFJQSQW-KRWDZBQOSA-N 1 2 430.505 -0.143 20 0 IBADLO O=C(c1ccccc1O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000436746416 1071928740 /nfs/dbraw/zinc/92/87/40/1071928740.db2.gz GBKUCMCBFJQSQW-QGZVFWFLSA-N 1 2 430.505 -0.143 20 0 IBADLO O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000436747838 1071928788 /nfs/dbraw/zinc/92/87/88/1071928788.db2.gz OTQRIJWBEQYUBO-GOSISDBHSA-N 1 2 430.505 -0.143 20 0 IBADLO O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000436747839 1071928865 /nfs/dbraw/zinc/92/88/65/1071928865.db2.gz OTQRIJWBEQYUBO-SFHVURJKSA-N 1 2 430.505 -0.143 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000436779098 1071929937 /nfs/dbraw/zinc/92/99/37/1071929937.db2.gz JJWQSTIGAFIIIM-UHFFFAOYSA-N 1 2 438.510 -0.231 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000436784236 1071929995 /nfs/dbraw/zinc/92/99/95/1071929995.db2.gz WJVPHIZXKBFQMH-CYBMUJFWSA-N 1 2 433.552 -0.167 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000436784240 1071929966 /nfs/dbraw/zinc/92/99/66/1071929966.db2.gz WJVPHIZXKBFQMH-ZDUSSCGKSA-N 1 2 433.552 -0.167 20 0 IBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)c3ccccc3O)CC1)c(=O)n2C ZINC000436842740 1071932615 /nfs/dbraw/zinc/93/26/15/1071932615.db2.gz FIJXRMDLWFXJFA-UHFFFAOYSA-N 1 2 426.477 -0.013 20 0 IBADLO COC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1O ZINC000436925935 1071935556 /nfs/dbraw/zinc/93/55/56/1071935556.db2.gz HUPPGNZXVURJOW-UHFFFAOYSA-N 1 2 425.467 -0.146 20 0 IBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)c3ccc(O)cc3)CC1)c(=O)n2C ZINC000436949067 1071937187 /nfs/dbraw/zinc/93/71/87/1071937187.db2.gz LICWPGKVFJIRLM-UHFFFAOYSA-N 1 2 426.477 -0.013 20 0 IBADLO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000436968608 1071940955 /nfs/dbraw/zinc/94/09/55/1071940955.db2.gz UMQXGGSVVBPQLF-VQIMIIECSA-N 1 2 444.536 -0.271 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)CC1 ZINC000437042556 1071942650 /nfs/dbraw/zinc/94/26/50/1071942650.db2.gz NVMYHUVZXXDUNA-GOSISDBHSA-N 1 2 435.550 -0.731 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)CC1 ZINC000437042559 1071943151 /nfs/dbraw/zinc/94/31/51/1071943151.db2.gz NVMYHUVZXXDUNA-SFHVURJKSA-N 1 2 435.550 -0.731 20 0 IBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H]1C[NH+]3CCN1CC3)n2C ZINC000437047141 1071943134 /nfs/dbraw/zinc/94/31/34/1071943134.db2.gz UZUMUQLYLHMRBM-HNNXBMFYSA-N 1 2 434.566 -0.128 20 0 IBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H]1C[NH+]3CCN1CC3)n2C ZINC000437047146 1071943264 /nfs/dbraw/zinc/94/32/64/1071943264.db2.gz UZUMUQLYLHMRBM-OAHLLOKOSA-N 1 2 434.566 -0.128 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000437094332 1073334484 /nfs/dbraw/zinc/33/44/84/1073334484.db2.gz HYQAZNLDCLOWME-MSOLQXFVSA-N 1 2 446.552 0.451 20 0 IBADLO Cc1ccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000437136561 1071946594 /nfs/dbraw/zinc/94/65/94/1071946594.db2.gz KLPMQVWSHNWAAK-UHFFFAOYSA-N 1 2 428.493 0.559 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)CC1 ZINC000437149426 1071948380 /nfs/dbraw/zinc/94/83/80/1071948380.db2.gz GITFRONQHBWTHN-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)cc2)CC1 ZINC000437155568 1071948436 /nfs/dbraw/zinc/94/84/36/1071948436.db2.gz PCZNBJXXXJZYTP-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)c2)CC1 ZINC000437156112 1071949097 /nfs/dbraw/zinc/94/90/97/1071949097.db2.gz RAROHIYIJAHXNE-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO Cc1cccc(C)c1NC(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437175188 1073342583 /nfs/dbraw/zinc/34/25/83/1073342583.db2.gz DWYKFZSDLZACEM-UHFFFAOYSA-N 1 2 428.493 0.526 20 0 IBADLO CN(CC(=O)Nc1cccc(F)c1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437177766 1073310345 /nfs/dbraw/zinc/31/03/45/1073310345.db2.gz WXHFRDIORHLWIQ-UHFFFAOYSA-N 1 2 432.456 0.390 20 0 IBADLO CSCc1noc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000437178973 1071950181 /nfs/dbraw/zinc/95/01/81/1071950181.db2.gz BPZJXIHXRXOYME-UHFFFAOYSA-N 1 2 432.572 -0.498 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000437232567 1071486338 /nfs/dbraw/zinc/48/63/38/1071486338.db2.gz AIGCZQFDACHLDA-UHFFFAOYSA-N 1 2 447.580 -0.084 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)c2)CC1 ZINC000437255063 1071487691 /nfs/dbraw/zinc/48/76/91/1071487691.db2.gz XGHUHWHNMLHSLV-UHFFFAOYSA-N 1 2 433.553 -0.474 20 0 IBADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000437312867 1071957041 /nfs/dbraw/zinc/95/70/41/1071957041.db2.gz YUHJJZHTUWBAOH-KRWDZBQOSA-N 1 2 437.566 -0.437 20 0 IBADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000437312871 1071956992 /nfs/dbraw/zinc/95/69/92/1071956992.db2.gz YUHJJZHTUWBAOH-QGZVFWFLSA-N 1 2 437.566 -0.437 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2)CC1 ZINC000437323239 1071956405 /nfs/dbraw/zinc/95/64/05/1071956405.db2.gz GELDHSXTPVZWKY-GOSISDBHSA-N 1 2 435.550 -0.731 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2)CC1 ZINC000437323240 1071956543 /nfs/dbraw/zinc/95/65/43/1071956543.db2.gz GELDHSXTPVZWKY-SFHVURJKSA-N 1 2 435.550 -0.731 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000437325112 1071957479 /nfs/dbraw/zinc/95/74/79/1071957479.db2.gz KRJYOWFIDHHZPD-GOSISDBHSA-N 1 2 440.566 -0.300 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000437325115 1071957558 /nfs/dbraw/zinc/95/75/58/1071957558.db2.gz KRJYOWFIDHHZPD-SFHVURJKSA-N 1 2 440.566 -0.300 20 0 IBADLO COc1ccc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000437327479 1071958095 /nfs/dbraw/zinc/95/80/95/1071958095.db2.gz YHNCJRXOPJHKAN-KRWDZBQOSA-N 1 2 438.550 -0.625 20 0 IBADLO COc1ccc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000437327480 1071958207 /nfs/dbraw/zinc/95/82/07/1071958207.db2.gz YHNCJRXOPJHKAN-QGZVFWFLSA-N 1 2 438.550 -0.625 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccs1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000437421967 1071964653 /nfs/dbraw/zinc/96/46/53/1071964653.db2.gz XEKYQHFBDGRDHE-UHFFFAOYSA-N 1 2 439.567 -0.062 20 0 IBADLO COC(=O)COc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000437437059 1071965813 /nfs/dbraw/zinc/96/58/13/1071965813.db2.gz DATCTYTWFMUOOG-UHFFFAOYSA-N 1 2 431.449 0.344 20 0 IBADLO COc1ccccc1CN(CCO)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437455725 1071965920 /nfs/dbraw/zinc/96/59/20/1071965920.db2.gz RVOPAXHEOCYIRF-UHFFFAOYSA-N 1 2 431.493 0.184 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437483799 1071966425 /nfs/dbraw/zinc/96/64/25/1071966425.db2.gz SHGIDNJHLFGXFP-AWEZNQCLSA-N 1 2 430.552 -0.677 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437483801 1071966412 /nfs/dbraw/zinc/96/64/12/1071966412.db2.gz SHGIDNJHLFGXFP-CQSZACIVSA-N 1 2 430.552 -0.677 20 0 IBADLO CCOC(=O)Cn1nc(C)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000437574579 1071970550 /nfs/dbraw/zinc/97/05/50/1071970550.db2.gz CXYMYBXHKLVOCC-UHFFFAOYSA-N 1 2 442.586 -0.327 20 0 IBADLO Cc1cc(O)cc(=O)n1CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000437618025 1071971816 /nfs/dbraw/zinc/97/18/16/1071971816.db2.gz XUKGHWAOJSZBQD-UHFFFAOYSA-N 1 2 449.533 -0.084 20 0 IBADLO CCc1ncc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000437625527 1071972250 /nfs/dbraw/zinc/97/22/50/1071972250.db2.gz DENNJDDMALOKDA-UHFFFAOYSA-N 1 2 447.521 -0.359 20 0 IBADLO NC(=O)CNC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000437684064 1071975265 /nfs/dbraw/zinc/97/52/65/1071975265.db2.gz DYLZIXLKFKIJAR-AWEZNQCLSA-N 1 2 432.481 -0.587 20 0 IBADLO NC(=O)CNC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000437684066 1071975118 /nfs/dbraw/zinc/97/51/18/1071975118.db2.gz DYLZIXLKFKIJAR-CQSZACIVSA-N 1 2 432.481 -0.587 20 0 IBADLO COc1ccccc1CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437712417 1071978070 /nfs/dbraw/zinc/97/80/70/1071978070.db2.gz BDBUJCXFZLZZSM-GOSISDBHSA-N 1 2 432.521 -0.349 20 0 IBADLO COc1ccccc1CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437712418 1071978185 /nfs/dbraw/zinc/97/81/85/1071978185.db2.gz BDBUJCXFZLZZSM-SFHVURJKSA-N 1 2 432.521 -0.349 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437783020 1071981725 /nfs/dbraw/zinc/98/17/25/1071981725.db2.gz ZYHMQOTZMFJCEI-UHFFFAOYSA-N 1 2 428.540 0.377 20 0 IBADLO NC(=O)CCNC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000437848665 1071985536 /nfs/dbraw/zinc/98/55/36/1071985536.db2.gz CQPFYBXKDWKMHA-HNNXBMFYSA-N 1 2 446.508 -0.197 20 0 IBADLO NC(=O)CCNC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000437848668 1071985288 /nfs/dbraw/zinc/98/52/88/1071985288.db2.gz CQPFYBXKDWKMHA-OAHLLOKOSA-N 1 2 446.508 -0.197 20 0 IBADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437903721 1071989046 /nfs/dbraw/zinc/98/90/46/1071989046.db2.gz VKPFMMWHPWZGPD-GOSISDBHSA-N 1 2 449.577 -0.584 20 0 IBADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437903722 1071989141 /nfs/dbraw/zinc/98/91/41/1071989141.db2.gz VKPFMMWHPWZGPD-SFHVURJKSA-N 1 2 449.577 -0.584 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000437907215 1071988388 /nfs/dbraw/zinc/98/83/88/1071988388.db2.gz TVJDUWOPEFKGIE-INIZCTEOSA-N 1 2 437.566 -0.497 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000437907216 1071988532 /nfs/dbraw/zinc/98/85/32/1071988532.db2.gz TVJDUWOPEFKGIE-MRXNPFEDSA-N 1 2 437.566 -0.497 20 0 IBADLO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437909790 1071989754 /nfs/dbraw/zinc/98/97/54/1071989754.db2.gz SXILFMDOAYHJGD-BEFAXECRSA-N 1 2 438.550 -0.123 20 0 IBADLO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437909791 1071989630 /nfs/dbraw/zinc/98/96/30/1071989630.db2.gz SXILFMDOAYHJGD-KXBFYZLASA-N 1 2 438.550 -0.123 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)o1 ZINC000437910727 1071989704 /nfs/dbraw/zinc/98/97/04/1071989704.db2.gz YPNUIIXGMCIHRM-CABCVRRESA-N 1 2 440.522 -0.275 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)o1 ZINC000437910728 1071989689 /nfs/dbraw/zinc/98/96/89/1071989689.db2.gz YPNUIIXGMCIHRM-GJZGRUSLSA-N 1 2 440.522 -0.275 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)o1 ZINC000437910729 1071989745 /nfs/dbraw/zinc/98/97/45/1071989745.db2.gz YPNUIIXGMCIHRM-HUUCEWRRSA-N 1 2 440.522 -0.275 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)o1 ZINC000437910730 1071989666 /nfs/dbraw/zinc/98/96/66/1071989666.db2.gz YPNUIIXGMCIHRM-LSDHHAIUSA-N 1 2 440.522 -0.275 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000438008885 1071993081 /nfs/dbraw/zinc/99/30/81/1071993081.db2.gz SZICMEVPGCXJKP-INIZCTEOSA-N 1 2 432.518 -0.219 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000438008888 1071993105 /nfs/dbraw/zinc/99/31/05/1071993105.db2.gz SZICMEVPGCXJKP-MRXNPFEDSA-N 1 2 432.518 -0.219 20 0 IBADLO CCc1ncsc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000438097165 1071995430 /nfs/dbraw/zinc/99/54/30/1071995430.db2.gz LEIUUYURLSEALN-UHFFFAOYSA-N 1 2 430.556 -0.720 20 0 IBADLO CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000438153208 1071997808 /nfs/dbraw/zinc/99/78/08/1071997808.db2.gz JSPIVVYSPRTJGR-CVEARBPZSA-N 1 2 431.559 -0.462 20 0 IBADLO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000438262067 1072000560 /nfs/dbraw/zinc/00/05/60/1072000560.db2.gz UTWISOHZHSAVRX-UHFFFAOYSA-N 1 2 437.526 -0.366 20 0 IBADLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438306631 1072003900 /nfs/dbraw/zinc/00/39/00/1072003900.db2.gz QDOVAIWBIGVRSB-UHFFFAOYSA-N 1 2 433.557 0.281 20 0 IBADLO NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438317116 1072004877 /nfs/dbraw/zinc/00/48/77/1072004877.db2.gz QLOVOSKYRITSQG-UHFFFAOYSA-N 1 2 429.481 -0.248 20 0 IBADLO O=C(NCCS(=O)(=O)NCc1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438321838 1072005320 /nfs/dbraw/zinc/00/53/20/1072005320.db2.gz MVZSGPUDUHGVPU-UHFFFAOYSA-N 1 2 436.538 0.456 20 0 IBADLO CCN(C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)S(C)(=O)=O ZINC000438324698 1072005440 /nfs/dbraw/zinc/00/54/40/1072005440.db2.gz FOQLSXQPCRQUIU-UHFFFAOYSA-N 1 2 428.559 0.493 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438326340 1072005383 /nfs/dbraw/zinc/00/53/83/1072005383.db2.gz IZZYVZYPMNABPB-UHFFFAOYSA-N 1 2 428.497 0.063 20 0 IBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438326826 1072005818 /nfs/dbraw/zinc/00/58/18/1072005818.db2.gz KVOJULSPYHFCMI-UHFFFAOYSA-N 1 2 428.559 0.493 20 0 IBADLO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438327548 1073327794 /nfs/dbraw/zinc/32/77/94/1073327794.db2.gz YCIZGMBCTYMCDQ-HNNXBMFYSA-N 1 2 433.465 0.505 20 0 IBADLO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438327549 1072005875 /nfs/dbraw/zinc/00/58/75/1072005875.db2.gz YCIZGMBCTYMCDQ-OAHLLOKOSA-N 1 2 433.465 0.505 20 0 IBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331572 1073326821 /nfs/dbraw/zinc/32/68/21/1073326821.db2.gz OJEABKQLYOCXHO-INIZCTEOSA-N 1 2 444.558 -0.175 20 0 IBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331574 1072004851 /nfs/dbraw/zinc/00/48/51/1072004851.db2.gz OJEABKQLYOCXHO-MRXNPFEDSA-N 1 2 444.558 -0.175 20 0 IBADLO O=C(CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)N1CCCCC1 ZINC000438332246 1072005043 /nfs/dbraw/zinc/00/50/43/1072005043.db2.gz CYACHOWOKIOFSL-UHFFFAOYSA-N 1 2 433.557 0.377 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)nc1 ZINC000438334960 1072005758 /nfs/dbraw/zinc/00/57/58/1072005758.db2.gz BKYUSPFYLIXTCW-UHFFFAOYSA-N 1 2 428.497 0.063 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438349662 1072006905 /nfs/dbraw/zinc/00/69/05/1072006905.db2.gz PCLYDHYIPVADAY-UHFFFAOYSA-N 1 2 432.572 -0.285 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000438352616 1072005923 /nfs/dbraw/zinc/00/59/23/1072005923.db2.gz BIUWRTAVESCPPC-UHFFFAOYSA-N 1 2 430.469 0.037 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000438352616 1072005914 /nfs/dbraw/zinc/00/59/14/1072005914.db2.gz BIUWRTAVESCPPC-UHFFFAOYSA-N 1 2 430.469 0.037 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)N=c3ccn(CC[NH+]4CCOCC4)[nH]3)CC2)no1 ZINC000438358361 1072006851 /nfs/dbraw/zinc/00/68/51/1072006851.db2.gz PEUSJVUCFBLCQD-UHFFFAOYSA-N 1 2 446.512 -0.856 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438358386 1072006766 /nfs/dbraw/zinc/00/67/66/1072006766.db2.gz PHWXHUYMKNGFDE-UHFFFAOYSA-N 1 2 440.512 0.246 20 0 IBADLO CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000438358824 1072007221 /nfs/dbraw/zinc/00/72/21/1072007221.db2.gz RANTXSHJWMRBGL-UHFFFAOYSA-N 1 2 428.540 0.507 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000438360785 1072007460 /nfs/dbraw/zinc/00/74/60/1072007460.db2.gz VINPUHXJNIBCDO-HNNXBMFYSA-N 1 2 444.496 0.473 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000438360785 1072007453 /nfs/dbraw/zinc/00/74/53/1072007453.db2.gz VINPUHXJNIBCDO-HNNXBMFYSA-N 1 2 444.496 0.473 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000438360786 1072007257 /nfs/dbraw/zinc/00/72/57/1072007257.db2.gz VINPUHXJNIBCDO-OAHLLOKOSA-N 1 2 444.496 0.473 20 0 IBADLO COC(=O)Cn1ccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000438360786 1072007247 /nfs/dbraw/zinc/00/72/47/1072007247.db2.gz VINPUHXJNIBCDO-OAHLLOKOSA-N 1 2 444.496 0.473 20 0 IBADLO CC(C)N1C[C@@H](Nc2nc(N[C@H]3CC(=O)N(C(C)C)C3)[nH+]c(N3CCOCC3)n2)CC1=O ZINC000438390914 1072009060 /nfs/dbraw/zinc/00/90/60/1072009060.db2.gz JICRADMGPUZIMB-HOTGVXAUSA-N 1 2 446.556 -0.606 20 0 IBADLO CC(C)N1C[C@H](Nc2nc(N[C@@H]3CC(=O)N(C(C)C)C3)[nH+]c(N3CCOCC3)n2)CC1=O ZINC000438390918 1072009339 /nfs/dbraw/zinc/00/93/39/1072009339.db2.gz JICRADMGPUZIMB-HZPDHXFCSA-N 1 2 446.556 -0.606 20 0 IBADLO CC(C)N1C[C@H](Nc2nc(N3CCOCC3)nc(N[C@H]3CC(=O)N(C(C)C)C3)[nH+]2)CC1=O ZINC000438390920 1072009076 /nfs/dbraw/zinc/00/90/76/1072009076.db2.gz JICRADMGPUZIMB-IYBDPMFKSA-N 1 2 446.556 -0.606 20 0 IBADLO CNC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@H](C(=O)NC)C3)n2)C1 ZINC000438392576 1072009001 /nfs/dbraw/zinc/00/90/01/1072009001.db2.gz HOIUPZKBUMOMFW-HOTGVXAUSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@H](C(=O)NC)C3)[nH+]2)C1 ZINC000438392576 1072008978 /nfs/dbraw/zinc/00/89/78/1072008978.db2.gz HOIUPZKBUMOMFW-HOTGVXAUSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@@H](C(=O)NC)C3)n2)C1 ZINC000438392579 1072009369 /nfs/dbraw/zinc/00/93/69/1072009369.db2.gz HOIUPZKBUMOMFW-HZPDHXFCSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@@H](C(=O)NC)C3)[nH+]2)C1 ZINC000438392579 1072009362 /nfs/dbraw/zinc/00/93/62/1072009362.db2.gz HOIUPZKBUMOMFW-HZPDHXFCSA-N 1 2 446.556 -0.367 20 0 IBADLO CCc1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000438415615 1072009672 /nfs/dbraw/zinc/00/96/72/1072009672.db2.gz ZJCOCKIOBQCQHY-UHFFFAOYSA-N 1 2 426.481 -0.047 20 0 IBADLO CCc1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000438415615 1072009667 /nfs/dbraw/zinc/00/96/67/1072009667.db2.gz ZJCOCKIOBQCQHY-UHFFFAOYSA-N 1 2 426.481 -0.047 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000438524919 1072013775 /nfs/dbraw/zinc/01/37/75/1072013775.db2.gz XAZQCQWJQORJCX-INIZCTEOSA-N 1 2 431.541 -0.548 20 0 IBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000438524923 1072013671 /nfs/dbraw/zinc/01/36/71/1072013671.db2.gz XAZQCQWJQORJCX-MRXNPFEDSA-N 1 2 431.541 -0.548 20 0 IBADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000438625415 1072017758 /nfs/dbraw/zinc/01/77/58/1072017758.db2.gz HWSDLFNGJJAOCS-UHFFFAOYSA-N 1 2 426.539 -0.091 20 0 IBADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000438625415 1072017745 /nfs/dbraw/zinc/01/77/45/1072017745.db2.gz HWSDLFNGJJAOCS-UHFFFAOYSA-N 1 2 426.539 -0.091 20 0 IBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000438668464 1072019130 /nfs/dbraw/zinc/01/91/30/1072019130.db2.gz NJJQWDKKNQXMML-HNNXBMFYSA-N 1 2 428.580 -0.373 20 0 IBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000438668465 1072019066 /nfs/dbraw/zinc/01/90/66/1072019066.db2.gz NJJQWDKKNQXMML-OAHLLOKOSA-N 1 2 428.580 -0.373 20 0 IBADLO COCCN(C[C@@H](O)C[NH+]1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000438704921 1072022470 /nfs/dbraw/zinc/02/24/70/1072022470.db2.gz FKEHXCZEAHZBCP-KRWDZBQOSA-N 1 2 433.509 -0.275 20 0 IBADLO COCCN(C[C@H](O)C[NH+]1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000438704923 1072022457 /nfs/dbraw/zinc/02/24/57/1072022457.db2.gz FKEHXCZEAHZBCP-QGZVFWFLSA-N 1 2 433.509 -0.275 20 0 IBADLO Cc1c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438830966 1072032477 /nfs/dbraw/zinc/03/24/77/1072032477.db2.gz AKJZJJAKGAPDAI-UHFFFAOYSA-N 1 2 442.520 -0.289 20 0 IBADLO Cc1c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438830966 1072032471 /nfs/dbraw/zinc/03/24/71/1072032471.db2.gz AKJZJJAKGAPDAI-UHFFFAOYSA-N 1 2 442.520 -0.289 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835012 1072032956 /nfs/dbraw/zinc/03/29/56/1072032956.db2.gz LOFQBZNQHJUNBI-UHFFFAOYSA-N 1 2 444.536 -0.043 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835012 1072032951 /nfs/dbraw/zinc/03/29/51/1072032951.db2.gz LOFQBZNQHJUNBI-UHFFFAOYSA-N 1 2 444.536 -0.043 20 0 IBADLO COCCn1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000438984348 1072043925 /nfs/dbraw/zinc/04/39/25/1072043925.db2.gz DZAXCFSMHCUMDL-UHFFFAOYSA-N 1 2 437.526 -0.333 20 0 IBADLO COCCn1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000438984348 1072043920 /nfs/dbraw/zinc/04/39/20/1072043920.db2.gz DZAXCFSMHCUMDL-UHFFFAOYSA-N 1 2 437.526 -0.333 20 0 IBADLO Cc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438991993 1073317617 /nfs/dbraw/zinc/31/76/17/1073317617.db2.gz FTBQGGMFQWJCTQ-UHFFFAOYSA-N 1 2 427.465 -0.278 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC1 ZINC000439012871 1072046035 /nfs/dbraw/zinc/04/60/35/1072046035.db2.gz YXMPSNVZVQYZRF-UHFFFAOYSA-N 1 2 427.527 -0.578 20 0 IBADLO CCOC(=O)c1ncn(C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1N ZINC000439023572 1072045340 /nfs/dbraw/zinc/04/53/40/1072045340.db2.gz VRIHFTFZSAWRAM-UHFFFAOYSA-N 1 2 433.469 -0.859 20 0 IBADLO Cc1c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439039981 1072046415 /nfs/dbraw/zinc/04/64/15/1072046415.db2.gz MMRNZHBOPBHPPV-UHFFFAOYSA-N 1 2 449.475 -0.420 20 0 IBADLO CNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000439056023 1072048660 /nfs/dbraw/zinc/04/86/60/1072048660.db2.gz JUIBCOAXPQBGLQ-AWEZNQCLSA-N 1 2 427.531 -0.870 20 0 IBADLO CNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000439056023 1072048653 /nfs/dbraw/zinc/04/86/53/1072048653.db2.gz JUIBCOAXPQBGLQ-AWEZNQCLSA-N 1 2 427.531 -0.870 20 0 IBADLO CNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000439056025 1072048739 /nfs/dbraw/zinc/04/87/39/1072048739.db2.gz JUIBCOAXPQBGLQ-CQSZACIVSA-N 1 2 427.531 -0.870 20 0 IBADLO CNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000439056025 1072048732 /nfs/dbraw/zinc/04/87/32/1072048732.db2.gz JUIBCOAXPQBGLQ-CQSZACIVSA-N 1 2 427.531 -0.870 20 0 IBADLO CCc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]c(C)c1C(N)=O ZINC000439058148 1072048710 /nfs/dbraw/zinc/04/87/10/1072048710.db2.gz MSZYCRFXVIWLML-UHFFFAOYSA-N 1 2 426.543 -0.766 20 0 IBADLO Cc1c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439091022 1072051190 /nfs/dbraw/zinc/05/11/90/1072051190.db2.gz MIUIKXAJRYTWAL-UHFFFAOYSA-N 1 2 427.465 -0.278 20 0 IBADLO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O ZINC000439103134 1072053770 /nfs/dbraw/zinc/05/37/70/1072053770.db2.gz SHVIYRLJLKUHCP-AEVYOOLXSA-N 1 2 427.465 -0.086 20 0 IBADLO COC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000439117880 1072054789 /nfs/dbraw/zinc/05/47/89/1072054789.db2.gz KZUZFVUDLFNWOS-DLBZAZTESA-N 1 2 441.554 -0.021 20 0 IBADLO COC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000439117881 1072054883 /nfs/dbraw/zinc/05/48/83/1072054883.db2.gz KZUZFVUDLFNWOS-IAGOWNOFSA-N 1 2 441.554 -0.021 20 0 IBADLO COC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000439117882 1072054676 /nfs/dbraw/zinc/05/46/76/1072054676.db2.gz KZUZFVUDLFNWOS-IRXDYDNUSA-N 1 2 441.554 -0.021 20 0 IBADLO COC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000439117883 1072054846 /nfs/dbraw/zinc/05/48/46/1072054846.db2.gz KZUZFVUDLFNWOS-SJORKVTESA-N 1 2 441.554 -0.021 20 0 IBADLO CCc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000439179968 1072061359 /nfs/dbraw/zinc/06/13/59/1072061359.db2.gz VFNNTSVAJLZWGX-UHFFFAOYSA-N 1 2 428.493 0.471 20 0 IBADLO Cc1nc2n(n1)CCN(C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000439188073 1072061829 /nfs/dbraw/zinc/06/18/29/1072061829.db2.gz KQRGMMTZARDVQE-UHFFFAOYSA-N 1 2 434.526 -0.341 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)ccn2)CC1 ZINC000439212614 1072064496 /nfs/dbraw/zinc/06/44/96/1072064496.db2.gz HCUSZKBFKWNYNE-DOTOQJQBSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)ccn2)CC1 ZINC000439212615 1072064512 /nfs/dbraw/zinc/06/45/12/1072064512.db2.gz HCUSZKBFKWNYNE-NVXWUHKLSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)ccn2)CC1 ZINC000439212616 1072064721 /nfs/dbraw/zinc/06/47/21/1072064721.db2.gz HCUSZKBFKWNYNE-RDJZCZTQSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)ccn2)CC1 ZINC000439212617 1072064750 /nfs/dbraw/zinc/06/47/50/1072064750.db2.gz HCUSZKBFKWNYNE-WBVHZDCISA-N 1 2 428.493 -0.323 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000439253515 1072067817 /nfs/dbraw/zinc/06/78/17/1072067817.db2.gz BGOGJCUXQFIRID-CEXWTWQISA-N 1 2 434.537 -0.523 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000439253516 1072067877 /nfs/dbraw/zinc/06/78/77/1072067877.db2.gz BGOGJCUXQFIRID-GUDVDZBRSA-N 1 2 434.537 -0.523 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000439253517 1072067779 /nfs/dbraw/zinc/06/77/79/1072067779.db2.gz BGOGJCUXQFIRID-QRVBRYPASA-N 1 2 434.537 -0.523 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000439253518 1072067792 /nfs/dbraw/zinc/06/77/92/1072067792.db2.gz BGOGJCUXQFIRID-QYZOEREBSA-N 1 2 434.537 -0.523 20 0 IBADLO Cn1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1nc1ccccn1c2=O ZINC000439262078 1072067313 /nfs/dbraw/zinc/06/73/13/1072067313.db2.gz TXBVGUPSRCASCB-HNNXBMFYSA-N 1 2 438.488 -0.151 20 0 IBADLO Cn1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1nc1ccccn1c2=O ZINC000439262084 1072067400 /nfs/dbraw/zinc/06/74/00/1072067400.db2.gz TXBVGUPSRCASCB-OAHLLOKOSA-N 1 2 438.488 -0.151 20 0 IBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000439316237 1072071309 /nfs/dbraw/zinc/07/13/09/1072071309.db2.gz CVGQUARMMLKEAC-AWEZNQCLSA-N 1 2 439.542 -0.323 20 0 IBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000439316237 1072071304 /nfs/dbraw/zinc/07/13/04/1072071304.db2.gz CVGQUARMMLKEAC-AWEZNQCLSA-N 1 2 439.542 -0.323 20 0 IBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000439316239 1072071385 /nfs/dbraw/zinc/07/13/85/1072071385.db2.gz CVGQUARMMLKEAC-CQSZACIVSA-N 1 2 439.542 -0.323 20 0 IBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000439316239 1072071378 /nfs/dbraw/zinc/07/13/78/1072071378.db2.gz CVGQUARMMLKEAC-CQSZACIVSA-N 1 2 439.542 -0.323 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000439343871 1072073295 /nfs/dbraw/zinc/07/32/95/1072073295.db2.gz IWVRRSIDLOVOJH-KRWDZBQOSA-N 1 2 430.509 -0.330 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000439343876 1072073398 /nfs/dbraw/zinc/07/33/98/1072073398.db2.gz IWVRRSIDLOVOJH-QGZVFWFLSA-N 1 2 430.509 -0.330 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000439353217 1072073883 /nfs/dbraw/zinc/07/38/83/1072073883.db2.gz GFZRPWPVSQZCLZ-KRWDZBQOSA-N 1 2 431.493 -0.447 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000439353218 1072073701 /nfs/dbraw/zinc/07/37/01/1072073701.db2.gz GFZRPWPVSQZCLZ-QGZVFWFLSA-N 1 2 431.493 -0.447 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000439363579 1072075053 /nfs/dbraw/zinc/07/50/53/1072075053.db2.gz WRVCRCQUXBIFPK-GOSISDBHSA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000439363580 1072074756 /nfs/dbraw/zinc/07/47/56/1072074756.db2.gz WRVCRCQUXBIFPK-SFHVURJKSA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000439364307 1072075015 /nfs/dbraw/zinc/07/50/15/1072075015.db2.gz YCZZLGMKZMOIFO-GOSISDBHSA-N 1 2 448.524 -0.606 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000439364308 1072074808 /nfs/dbraw/zinc/07/48/08/1072074808.db2.gz YCZZLGMKZMOIFO-SFHVURJKSA-N 1 2 448.524 -0.606 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000439370477 1072073790 /nfs/dbraw/zinc/07/37/90/1072073790.db2.gz MLVFMJDQBZXEFG-IBGZPJMESA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000439370478 1072073847 /nfs/dbraw/zinc/07/38/47/1072073847.db2.gz MLVFMJDQBZXEFG-LJQANCHMSA-N 1 2 434.541 -0.133 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000439377921 1072075488 /nfs/dbraw/zinc/07/54/88/1072075488.db2.gz WEVDPBGPXSBTNK-KRWDZBQOSA-N 1 2 436.513 -0.703 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000439377928 1072075592 /nfs/dbraw/zinc/07/55/92/1072075592.db2.gz WEVDPBGPXSBTNK-QGZVFWFLSA-N 1 2 436.513 -0.703 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000439378830 1072075608 /nfs/dbraw/zinc/07/56/08/1072075608.db2.gz YLVSQXOBUCNXSH-HNNXBMFYSA-N 1 2 444.492 -0.716 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000439378834 1072075332 /nfs/dbraw/zinc/07/53/32/1072075332.db2.gz YLVSQXOBUCNXSH-OAHLLOKOSA-N 1 2 444.492 -0.716 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(CS(N)(=O)=O)CC3)c2)CC1 ZINC000439381238 1072075884 /nfs/dbraw/zinc/07/58/84/1072075884.db2.gz BYUDRRGZBISHKX-UHFFFAOYSA-N 1 2 437.566 -0.100 20 0 IBADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1C ZINC000439423917 1072078714 /nfs/dbraw/zinc/07/87/14/1072078714.db2.gz QHPCWXJCGOXUPX-HNNXBMFYSA-N 1 2 428.497 0.079 20 0 IBADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1C ZINC000439423917 1072078706 /nfs/dbraw/zinc/07/87/06/1072078706.db2.gz QHPCWXJCGOXUPX-HNNXBMFYSA-N 1 2 428.497 0.079 20 0 IBADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1C ZINC000439423919 1072078808 /nfs/dbraw/zinc/07/88/08/1072078808.db2.gz QHPCWXJCGOXUPX-OAHLLOKOSA-N 1 2 428.497 0.079 20 0 IBADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1C ZINC000439423919 1072078799 /nfs/dbraw/zinc/07/87/99/1072078799.db2.gz QHPCWXJCGOXUPX-OAHLLOKOSA-N 1 2 428.497 0.079 20 0 IBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000439440970 1072080789 /nfs/dbraw/zinc/08/07/89/1072080789.db2.gz JADXQYKDIFJQIN-GOSISDBHSA-N 1 2 439.534 -0.593 20 0 IBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000439440972 1072080708 /nfs/dbraw/zinc/08/07/08/1072080708.db2.gz JADXQYKDIFJQIN-SFHVURJKSA-N 1 2 439.534 -0.593 20 0 IBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439448809 1072081595 /nfs/dbraw/zinc/08/15/95/1072081595.db2.gz UFBYHPZVTJSTCB-KRWDZBQOSA-N 1 2 425.507 -0.271 20 0 IBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439448810 1072081611 /nfs/dbraw/zinc/08/16/11/1072081611.db2.gz UFBYHPZVTJSTCB-QGZVFWFLSA-N 1 2 425.507 -0.271 20 0 IBADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473396 1072082995 /nfs/dbraw/zinc/08/29/95/1072082995.db2.gz LTDOVKIUKGHCLG-FXAWDEMLSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473396 1072082989 /nfs/dbraw/zinc/08/29/89/1072082989.db2.gz LTDOVKIUKGHCLG-FXAWDEMLSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473397 1072083084 /nfs/dbraw/zinc/08/30/84/1072083084.db2.gz LTDOVKIUKGHCLG-PXNSSMCTSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473397 1072083082 /nfs/dbraw/zinc/08/30/82/1072083082.db2.gz LTDOVKIUKGHCLG-PXNSSMCTSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473398 1072082911 /nfs/dbraw/zinc/08/29/11/1072082911.db2.gz LTDOVKIUKGHCLG-XLIONFOSSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473398 1072082901 /nfs/dbraw/zinc/08/29/01/1072082901.db2.gz LTDOVKIUKGHCLG-XLIONFOSSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473399 1072083110 /nfs/dbraw/zinc/08/31/10/1072083110.db2.gz LTDOVKIUKGHCLG-YLJYHZDGSA-N 1 2 445.582 -0.391 20 0 IBADLO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000439473399 1072083106 /nfs/dbraw/zinc/08/31/06/1072083106.db2.gz LTDOVKIUKGHCLG-YLJYHZDGSA-N 1 2 445.582 -0.391 20 0 IBADLO CCS(=O)(=O)N1CC(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000439609645 1072089054 /nfs/dbraw/zinc/08/90/54/1072089054.db2.gz BVIIHNKWMBGFPJ-UHFFFAOYSA-N 1 2 438.554 -0.299 20 0 IBADLO CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000439644818 1072089781 /nfs/dbraw/zinc/08/97/81/1072089781.db2.gz RSEOQILWNASOBS-GOSISDBHSA-N 1 2 440.504 0.418 20 0 IBADLO CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000439644822 1072089824 /nfs/dbraw/zinc/08/98/24/1072089824.db2.gz RSEOQILWNASOBS-SFHVURJKSA-N 1 2 440.504 0.418 20 0 IBADLO CC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N1CCOCC1 ZINC000439647056 1072090602 /nfs/dbraw/zinc/09/06/02/1072090602.db2.gz UXEQRLRSKIZWRD-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO CC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000439647056 1072090596 /nfs/dbraw/zinc/09/05/96/1072090596.db2.gz UXEQRLRSKIZWRD-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO CC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N1CCOCC1 ZINC000439647057 1072090579 /nfs/dbraw/zinc/09/05/79/1072090579.db2.gz UXEQRLRSKIZWRD-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO CC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000439647057 1072090575 /nfs/dbraw/zinc/09/05/75/1072090575.db2.gz UXEQRLRSKIZWRD-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cncc(F)c1 ZINC000439759436 1072095038 /nfs/dbraw/zinc/09/50/38/1072095038.db2.gz UYSNCRJBIANLQE-UHFFFAOYSA-N 1 2 436.469 -0.178 20 0 IBADLO CCS(=O)(=O)N1CCN(c2cc(N3CCN(S(=O)(=O)CC)CC3)[nH+]cn2)CC1 ZINC000439834084 1072100211 /nfs/dbraw/zinc/10/02/11/1072100211.db2.gz PHFTVSQRMLWIJX-UHFFFAOYSA-N 1 2 432.572 -0.580 20 0 IBADLO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000439838026 1072100200 /nfs/dbraw/zinc/10/02/00/1072100200.db2.gz AVENHVOOYJFWKJ-UHFFFAOYSA-N 1 2 442.314 -0.244 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000439861853 1072103484 /nfs/dbraw/zinc/10/34/84/1072103484.db2.gz SYIZCLSFDOOYKH-CYBMUJFWSA-N 1 2 425.873 -0.383 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000439861854 1072103398 /nfs/dbraw/zinc/10/33/98/1072103398.db2.gz SYIZCLSFDOOYKH-ZDUSSCGKSA-N 1 2 425.873 -0.383 20 0 IBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439956785 1072111077 /nfs/dbraw/zinc/11/10/77/1072111077.db2.gz JHMWOZNJYLWRCW-AWEZNQCLSA-N 1 2 428.511 -0.499 20 0 IBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439956786 1072110988 /nfs/dbraw/zinc/11/09/88/1072110988.db2.gz JHMWOZNJYLWRCW-CQSZACIVSA-N 1 2 428.511 -0.499 20 0 IBADLO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439976794 1072111889 /nfs/dbraw/zinc/11/18/89/1072111889.db2.gz LKEJXRDZIFEYPC-GOSISDBHSA-N 1 2 442.520 -0.031 20 0 IBADLO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439976795 1072111903 /nfs/dbraw/zinc/11/19/03/1072111903.db2.gz LKEJXRDZIFEYPC-SFHVURJKSA-N 1 2 442.520 -0.031 20 0 IBADLO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439979777 1072112418 /nfs/dbraw/zinc/11/24/18/1072112418.db2.gz ONLWEFRRODRLJU-IBGZPJMESA-N 1 2 442.520 -0.031 20 0 IBADLO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439979780 1072112357 /nfs/dbraw/zinc/11/23/57/1072112357.db2.gz ONLWEFRRODRLJU-LJQANCHMSA-N 1 2 442.520 -0.031 20 0 IBADLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440002795 1072112953 /nfs/dbraw/zinc/11/29/53/1072112953.db2.gz HBDSRKXHAQDHOU-APWZRJJASA-N 1 2 448.520 -0.305 20 0 IBADLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440002802 1072113007 /nfs/dbraw/zinc/11/30/07/1072113007.db2.gz HBDSRKXHAQDHOU-LPHOPBHVSA-N 1 2 448.520 -0.305 20 0 IBADLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440002804 1072112992 /nfs/dbraw/zinc/11/29/92/1072112992.db2.gz HBDSRKXHAQDHOU-QFBILLFUSA-N 1 2 448.520 -0.305 20 0 IBADLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440002805 1072113028 /nfs/dbraw/zinc/11/30/28/1072113028.db2.gz HBDSRKXHAQDHOU-VQIMIIECSA-N 1 2 448.520 -0.305 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000440010289 1072114758 /nfs/dbraw/zinc/11/47/58/1072114758.db2.gz OFBCPEAHNCYIHA-AWEZNQCLSA-N 1 2 439.900 -0.040 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000440010290 1072115405 /nfs/dbraw/zinc/11/54/05/1072115405.db2.gz OFBCPEAHNCYIHA-CQSZACIVSA-N 1 2 439.900 -0.040 20 0 IBADLO COC(=O)CCCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000440067785 1072119517 /nfs/dbraw/zinc/11/95/17/1072119517.db2.gz ZHVSRBWBGXHGAF-UHFFFAOYSA-N 1 2 440.588 -0.841 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000440072589 1072117987 /nfs/dbraw/zinc/11/79/87/1072117987.db2.gz CLZZLWJELRWMIU-JMERFSKESA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000440072589 1072117984 /nfs/dbraw/zinc/11/79/84/1072117984.db2.gz CLZZLWJELRWMIU-JMERFSKESA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000440072594 1072117855 /nfs/dbraw/zinc/11/78/55/1072117855.db2.gz CLZZLWJELRWMIU-NQCMUKECSA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000440072594 1072117852 /nfs/dbraw/zinc/11/78/52/1072117852.db2.gz CLZZLWJELRWMIU-NQCMUKECSA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440072595 1072117923 /nfs/dbraw/zinc/11/79/23/1072117923.db2.gz CLZZLWJELRWMIU-QHRIQVFBSA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440072595 1072117921 /nfs/dbraw/zinc/11/79/21/1072117921.db2.gz CLZZLWJELRWMIU-QHRIQVFBSA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440072596 1072117956 /nfs/dbraw/zinc/11/79/56/1072117956.db2.gz CLZZLWJELRWMIU-WTOJCKNJSA-N 1 2 440.522 -0.175 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440072596 1072117951 /nfs/dbraw/zinc/11/79/51/1072117951.db2.gz CLZZLWJELRWMIU-WTOJCKNJSA-N 1 2 440.522 -0.175 20 0 IBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000440073099 1072117896 /nfs/dbraw/zinc/11/78/96/1072117896.db2.gz DRRLVLUZQQHDLJ-CVEARBPZSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000440073099 1072117892 /nfs/dbraw/zinc/11/78/92/1072117892.db2.gz DRRLVLUZQQHDLJ-CVEARBPZSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000440073101 1072117943 /nfs/dbraw/zinc/11/79/43/1072117943.db2.gz DRRLVLUZQQHDLJ-HOTGVXAUSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000440073101 1072117938 /nfs/dbraw/zinc/11/79/38/1072117938.db2.gz DRRLVLUZQQHDLJ-HOTGVXAUSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000440073103 1072118012 /nfs/dbraw/zinc/11/80/12/1072118012.db2.gz DRRLVLUZQQHDLJ-HZPDHXFCSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000440073103 1072118008 /nfs/dbraw/zinc/11/80/08/1072118008.db2.gz DRRLVLUZQQHDLJ-HZPDHXFCSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000440073106 1072117969 /nfs/dbraw/zinc/11/79/69/1072117969.db2.gz DRRLVLUZQQHDLJ-JKSUJKDBSA-N 1 2 447.579 -0.217 20 0 IBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000440073106 1072117966 /nfs/dbraw/zinc/11/79/66/1072117966.db2.gz DRRLVLUZQQHDLJ-JKSUJKDBSA-N 1 2 447.579 -0.217 20 0 IBADLO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 ZINC000440100925 1072121307 /nfs/dbraw/zinc/12/13/07/1072121307.db2.gz JILIYVMQEGBHHH-AWEZNQCLSA-N 1 2 428.511 -0.080 20 0 IBADLO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 ZINC000440100927 1072121356 /nfs/dbraw/zinc/12/13/56/1072121356.db2.gz JILIYVMQEGBHHH-CQSZACIVSA-N 1 2 428.511 -0.080 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(CO)CCOCC1 ZINC000440208685 1072128460 /nfs/dbraw/zinc/12/84/60/1072128460.db2.gz VRIIGWCTHFAWTE-UHFFFAOYSA-N 1 2 441.554 -0.378 20 0 IBADLO Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000440221121 1072128490 /nfs/dbraw/zinc/12/84/90/1072128490.db2.gz YWZKGNDGMRLRHO-UHFFFAOYSA-N 1 2 427.509 0.206 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440264269 1072131377 /nfs/dbraw/zinc/13/13/77/1072131377.db2.gz DWQWMKJAAQHTJM-KRWDZBQOSA-N 1 2 437.522 -0.821 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440264276 1072131393 /nfs/dbraw/zinc/13/13/93/1072131393.db2.gz DWQWMKJAAQHTJM-QGZVFWFLSA-N 1 2 437.522 -0.821 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000440269340 1072132386 /nfs/dbraw/zinc/13/23/86/1072132386.db2.gz ONLDXCYXBCQZJU-INIZCTEOSA-N 1 2 437.522 -0.821 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000440269342 1072132294 /nfs/dbraw/zinc/13/22/94/1072132294.db2.gz ONLDXCYXBCQZJU-MRXNPFEDSA-N 1 2 437.522 -0.821 20 0 IBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000440275314 1072133297 /nfs/dbraw/zinc/13/32/97/1072133297.db2.gz ZWBAJEOSTGOKBM-CYBMUJFWSA-N 1 2 428.486 -0.052 20 0 IBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000440275314 1072133290 /nfs/dbraw/zinc/13/32/90/1072133290.db2.gz ZWBAJEOSTGOKBM-CYBMUJFWSA-N 1 2 428.486 -0.052 20 0 IBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000440275316 1072133277 /nfs/dbraw/zinc/13/32/77/1072133277.db2.gz ZWBAJEOSTGOKBM-ZDUSSCGKSA-N 1 2 428.486 -0.052 20 0 IBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000440275316 1072133273 /nfs/dbraw/zinc/13/32/73/1072133273.db2.gz ZWBAJEOSTGOKBM-ZDUSSCGKSA-N 1 2 428.486 -0.052 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000440283730 1072136664 /nfs/dbraw/zinc/13/66/64/1072136664.db2.gz LZXGAFSTCAPYPQ-AWEZNQCLSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000440283730 1072136658 /nfs/dbraw/zinc/13/66/58/1072136658.db2.gz LZXGAFSTCAPYPQ-AWEZNQCLSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000440283731 1072136687 /nfs/dbraw/zinc/13/66/87/1072136687.db2.gz LZXGAFSTCAPYPQ-CQSZACIVSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000440283731 1072136682 /nfs/dbraw/zinc/13/66/82/1072136682.db2.gz LZXGAFSTCAPYPQ-CQSZACIVSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440288188 1072134742 /nfs/dbraw/zinc/13/47/42/1072134742.db2.gz XSOKPJUFNLUEEV-AWEZNQCLSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440288188 1072134738 /nfs/dbraw/zinc/13/47/38/1072134738.db2.gz XSOKPJUFNLUEEV-AWEZNQCLSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440288190 1072134712 /nfs/dbraw/zinc/13/47/12/1072134712.db2.gz XSOKPJUFNLUEEV-CQSZACIVSA-N 1 2 440.522 -0.183 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440288190 1072134709 /nfs/dbraw/zinc/13/47/09/1072134709.db2.gz XSOKPJUFNLUEEV-CQSZACIVSA-N 1 2 440.522 -0.183 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440288895 1072134763 /nfs/dbraw/zinc/13/47/63/1072134763.db2.gz ASYZVKCRMAPIEN-KRWDZBQOSA-N 1 2 437.522 -0.821 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440288902 1072134667 /nfs/dbraw/zinc/13/46/67/1072134667.db2.gz ASYZVKCRMAPIEN-QGZVFWFLSA-N 1 2 437.522 -0.821 20 0 IBADLO COc1ccc([C@@H](CO)N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000440392219 1072144149 /nfs/dbraw/zinc/14/41/49/1072144149.db2.gz MZQHZKQWVGYHTE-GOSISDBHSA-N 1 2 431.493 0.354 20 0 IBADLO COc1ccc([C@H](CO)N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000440392220 1072144250 /nfs/dbraw/zinc/14/42/50/1072144250.db2.gz MZQHZKQWVGYHTE-SFHVURJKSA-N 1 2 431.493 0.354 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc(S(C)(=O)=O)c1 ZINC000440435819 1072147324 /nfs/dbraw/zinc/14/73/24/1072147324.db2.gz SWIJNWKEXDHDGG-UHFFFAOYSA-N 1 2 441.506 -0.004 20 0 IBADLO CCOC(=O)CN(C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000440477475 1072169553 /nfs/dbraw/zinc/16/95/53/1072169553.db2.gz LFMKVBJDUJEABM-MSOLQXFVSA-N 1 2 439.534 -0.330 20 0 IBADLO CCOC(=O)CN(C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000440477477 1072169538 /nfs/dbraw/zinc/16/95/38/1072169538.db2.gz LFMKVBJDUJEABM-QZTJIDSGSA-N 1 2 439.534 -0.330 20 0 IBADLO CCOC(=O)CN(C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000440477480 1072169494 /nfs/dbraw/zinc/16/94/94/1072169494.db2.gz LFMKVBJDUJEABM-ROUUACIJSA-N 1 2 439.534 -0.330 20 0 IBADLO CCOC(=O)CN(C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000440477482 1072169605 /nfs/dbraw/zinc/16/96/05/1072169605.db2.gz LFMKVBJDUJEABM-ZWKOTPCHSA-N 1 2 439.534 -0.330 20 0 IBADLO Cc1nccnc1N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000440489258 1072191841 /nfs/dbraw/zinc/19/18/41/1072191841.db2.gz NREAVECECJKLRW-UHFFFAOYSA-N 1 2 436.524 -0.067 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCN3CCCS3(=O)=O)CC2)cc1 ZINC000440496161 1072198965 /nfs/dbraw/zinc/19/89/65/1072198965.db2.gz NQAYFOWEQCRCGS-UHFFFAOYSA-N 1 2 430.596 -0.074 20 0 IBADLO Cc1oc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC000440563185 1072228965 /nfs/dbraw/zinc/22/89/65/1072228965.db2.gz FWOPBEAYKLWHGY-AWEZNQCLSA-N 1 2 428.511 -0.499 20 0 IBADLO Cc1oc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC000440563187 1072229014 /nfs/dbraw/zinc/22/90/14/1072229014.db2.gz FWOPBEAYKLWHGY-CQSZACIVSA-N 1 2 428.511 -0.499 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000440645421 1072232053 /nfs/dbraw/zinc/23/20/53/1072232053.db2.gz FMCBYJMDDRJLFO-KRWDZBQOSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000440645421 1072232045 /nfs/dbraw/zinc/23/20/45/1072232045.db2.gz FMCBYJMDDRJLFO-KRWDZBQOSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000440645423 1072231971 /nfs/dbraw/zinc/23/19/71/1072231971.db2.gz FMCBYJMDDRJLFO-QGZVFWFLSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000440645423 1072231968 /nfs/dbraw/zinc/23/19/68/1072231968.db2.gz FMCBYJMDDRJLFO-QGZVFWFLSA-N 1 2 441.529 -0.339 20 0 IBADLO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)CC2)[nH]1 ZINC000440758605 1072236816 /nfs/dbraw/zinc/23/68/16/1072236816.db2.gz RKLRJDLRAZZGFD-UHFFFAOYSA-N 1 2 428.497 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)CC1)N1CCOCC1 ZINC000440760485 1070799960 /nfs/dbraw/zinc/79/99/60/1070799960.db2.gz WALLJNVPIJLCNV-UHFFFAOYSA-N 1 2 445.564 -0.487 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC000440764575 1072239633 /nfs/dbraw/zinc/23/96/33/1072239633.db2.gz MHKWUOHLBIPYGP-UHFFFAOYSA-N 1 2 427.465 -0.371 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)cc2)CC1 ZINC000440766557 1072239519 /nfs/dbraw/zinc/23/95/19/1072239519.db2.gz QNDMDDMYKMAARZ-UHFFFAOYSA-N 1 2 427.465 -0.371 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)c2)CC1 ZINC000440796446 1072239696 /nfs/dbraw/zinc/23/96/96/1072239696.db2.gz XGWYDNGQCYFGJT-UHFFFAOYSA-N 1 2 427.465 -0.371 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440895465 1072243128 /nfs/dbraw/zinc/24/31/28/1072243128.db2.gz XIQUBCQALHTRBP-HNNXBMFYSA-N 1 2 428.555 -0.760 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440895466 1072243199 /nfs/dbraw/zinc/24/31/99/1072243199.db2.gz XIQUBCQALHTRBP-OAHLLOKOSA-N 1 2 428.555 -0.760 20 0 IBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@@H]1CCNC1=O ZINC000440946383 1072244143 /nfs/dbraw/zinc/24/41/43/1072244143.db2.gz GDNDQTOJGJFYOO-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@@H]1CCNC1=O ZINC000440946383 1072244141 /nfs/dbraw/zinc/24/41/41/1072244141.db2.gz GDNDQTOJGJFYOO-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCNC1=O ZINC000440946384 1072244110 /nfs/dbraw/zinc/24/41/10/1072244110.db2.gz GDNDQTOJGJFYOO-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCNC1=O ZINC000440946384 1072244102 /nfs/dbraw/zinc/24/41/02/1072244102.db2.gz GDNDQTOJGJFYOO-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000440961036 1072244929 /nfs/dbraw/zinc/24/49/29/1072244929.db2.gz NLPZWMVWWXDXQX-GFCCVEGCSA-N 1 2 436.328 -0.138 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000440961037 1072245133 /nfs/dbraw/zinc/24/51/33/1072245133.db2.gz NLPZWMVWWXDXQX-LBPRGKRZSA-N 1 2 436.328 -0.138 20 0 IBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCNC1=O ZINC000440965647 1072244896 /nfs/dbraw/zinc/24/48/96/1072244896.db2.gz HMNCJTWWPMCNBQ-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCNC1=O ZINC000440965647 1072244893 /nfs/dbraw/zinc/24/48/93/1072244893.db2.gz HMNCJTWWPMCNBQ-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCNC1=O ZINC000440965652 1072244977 /nfs/dbraw/zinc/24/49/77/1072244977.db2.gz HMNCJTWWPMCNBQ-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCNC1=O ZINC000440965652 1072244966 /nfs/dbraw/zinc/24/49/66/1072244966.db2.gz HMNCJTWWPMCNBQ-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000440979172 1072248067 /nfs/dbraw/zinc/24/80/67/1072248067.db2.gz CPRPGGRRWYWNCX-GOSISDBHSA-N 1 2 428.489 -0.013 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000440979173 1072247892 /nfs/dbraw/zinc/24/78/92/1072247892.db2.gz CPRPGGRRWYWNCX-SFHVURJKSA-N 1 2 428.489 -0.013 20 0 IBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000440979529 1072247947 /nfs/dbraw/zinc/24/79/47/1072247947.db2.gz BABGZZVXRLIUSJ-AWEZNQCLSA-N 1 2 428.511 -0.959 20 0 IBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000440979535 1072247918 /nfs/dbraw/zinc/24/79/18/1072247918.db2.gz BABGZZVXRLIUSJ-CQSZACIVSA-N 1 2 428.511 -0.959 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000440979977 1072247983 /nfs/dbraw/zinc/24/79/83/1072247983.db2.gz FLPMAJKWSRVPFT-KRWDZBQOSA-N 1 2 429.481 -0.235 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000440979978 1072248083 /nfs/dbraw/zinc/24/80/83/1072248083.db2.gz FLPMAJKWSRVPFT-QGZVFWFLSA-N 1 2 429.481 -0.235 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000440979983 1072247905 /nfs/dbraw/zinc/24/79/05/1072247905.db2.gz FMZHBJXMAUGLOS-KRWDZBQOSA-N 1 2 440.522 -0.684 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000440979985 1072247835 /nfs/dbraw/zinc/24/78/35/1072247835.db2.gz FMZHBJXMAUGLOS-QGZVFWFLSA-N 1 2 440.522 -0.684 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000440980358 1072247968 /nfs/dbraw/zinc/24/79/68/1072247968.db2.gz QJVWZTVPIHLCMX-UHFFFAOYSA-N 1 2 427.527 -0.057 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000440980358 1072247964 /nfs/dbraw/zinc/24/79/64/1072247964.db2.gz QJVWZTVPIHLCMX-UHFFFAOYSA-N 1 2 427.527 -0.057 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000440981982 1072246010 /nfs/dbraw/zinc/24/60/10/1072246010.db2.gz AALCDCJIJZECLU-INIZCTEOSA-N 1 2 442.538 -0.153 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000440981989 1072246139 /nfs/dbraw/zinc/24/61/39/1072246139.db2.gz AALCDCJIJZECLU-MRXNPFEDSA-N 1 2 442.538 -0.153 20 0 IBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440982950 1072246176 /nfs/dbraw/zinc/24/61/76/1072246176.db2.gz AYGJWXJKUSIHND-KRWDZBQOSA-N 1 2 434.493 -0.688 20 0 IBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440982954 1072245914 /nfs/dbraw/zinc/24/59/14/1072245914.db2.gz AYGJWXJKUSIHND-QGZVFWFLSA-N 1 2 434.493 -0.688 20 0 IBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000440983074 1072246118 /nfs/dbraw/zinc/24/61/18/1072246118.db2.gz BFVCZVJJLXZXPD-HNNXBMFYSA-N 1 2 425.486 -0.729 20 0 IBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000440983079 1072245985 /nfs/dbraw/zinc/24/59/85/1072245985.db2.gz BFVCZVJJLXZXPD-OAHLLOKOSA-N 1 2 425.486 -0.729 20 0 IBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440983328 1072246196 /nfs/dbraw/zinc/24/61/96/1072246196.db2.gz GBVXLTWWEKPPCB-HNNXBMFYSA-N 1 2 435.510 -0.526 20 0 IBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440983329 1072246250 /nfs/dbraw/zinc/24/62/50/1072246250.db2.gz GBVXLTWWEKPPCB-OAHLLOKOSA-N 1 2 435.510 -0.526 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c(OC)c1 ZINC000440983809 1072246155 /nfs/dbraw/zinc/24/61/55/1072246155.db2.gz CCJTUASINNQSAV-AWEZNQCLSA-N 1 2 439.465 -0.420 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c(OC)c1 ZINC000440983813 1072246096 /nfs/dbraw/zinc/24/60/96/1072246096.db2.gz CCJTUASINNQSAV-CQSZACIVSA-N 1 2 439.465 -0.420 20 0 IBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1N1CCCC1=O ZINC000440984368 1072245959 /nfs/dbraw/zinc/24/59/59/1072245959.db2.gz KZSNHQBZWLYEIK-INIZCTEOSA-N 1 2 434.493 -0.088 20 0 IBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1N1CCCC1=O ZINC000440984370 1072246072 /nfs/dbraw/zinc/24/60/72/1072246072.db2.gz KZSNHQBZWLYEIK-MRXNPFEDSA-N 1 2 434.493 -0.088 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440984626 1072246653 /nfs/dbraw/zinc/24/66/53/1072246653.db2.gz DFLWZUCHIRHSDS-CYBMUJFWSA-N 1 2 446.501 -0.834 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440984627 1072246584 /nfs/dbraw/zinc/24/65/84/1072246584.db2.gz DFLWZUCHIRHSDS-ZDUSSCGKSA-N 1 2 446.501 -0.834 20 0 IBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)CC1 ZINC000440985135 1072246724 /nfs/dbraw/zinc/24/67/24/1072246724.db2.gz LSUGJIGGFKTGDW-FQEVSTJZSA-N 1 2 447.536 -0.555 20 0 IBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)CC1 ZINC000440985137 1072246770 /nfs/dbraw/zinc/24/67/70/1072246770.db2.gz LSUGJIGGFKTGDW-HXUWFJFHSA-N 1 2 447.536 -0.555 20 0 IBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440986296 1072246610 /nfs/dbraw/zinc/24/66/10/1072246610.db2.gz QHPCIYSBAXPVKV-CYBMUJFWSA-N 1 2 439.465 -0.420 20 0 IBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440986301 1072246595 /nfs/dbraw/zinc/24/65/95/1072246595.db2.gz QHPCIYSBAXPVKV-ZDUSSCGKSA-N 1 2 439.465 -0.420 20 0 IBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000440986791 1072252095 /nfs/dbraw/zinc/25/20/95/1072252095.db2.gz GXJHGCBIVKTUPP-KRWDZBQOSA-N 1 2 431.493 -0.523 20 0 IBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000440986792 1072252065 /nfs/dbraw/zinc/25/20/65/1072252065.db2.gz GXJHGCBIVKTUPP-QGZVFWFLSA-N 1 2 431.493 -0.523 20 0 IBADLO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1C(=O)N1CCOCC1 ZINC000440988962 1072248455 /nfs/dbraw/zinc/24/84/55/1072248455.db2.gz MUAKFJSGJRTJHT-KRWDZBQOSA-N 1 2 448.520 -0.443 20 0 IBADLO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1C(=O)N1CCOCC1 ZINC000440988967 1072248680 /nfs/dbraw/zinc/24/86/80/1072248680.db2.gz MUAKFJSGJRTJHT-QGZVFWFLSA-N 1 2 448.520 -0.443 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000440989410 1072248103 /nfs/dbraw/zinc/24/81/03/1072248103.db2.gz TXIUFZHMUKBVGW-MSOLQXFVSA-N 1 2 434.493 -0.106 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000440989413 1072247875 /nfs/dbraw/zinc/24/78/75/1072247875.db2.gz TXIUFZHMUKBVGW-QZTJIDSGSA-N 1 2 434.493 -0.106 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000440989415 1072248017 /nfs/dbraw/zinc/24/80/17/1072248017.db2.gz TXIUFZHMUKBVGW-ROUUACIJSA-N 1 2 434.493 -0.106 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000440989418 1072247848 /nfs/dbraw/zinc/24/78/48/1072247848.db2.gz TXIUFZHMUKBVGW-ZWKOTPCHSA-N 1 2 434.493 -0.106 20 0 IBADLO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440990036 1072248480 /nfs/dbraw/zinc/24/84/80/1072248480.db2.gz MJAVSONPEXNFDB-INIZCTEOSA-N 1 2 436.509 -0.123 20 0 IBADLO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440990038 1072248609 /nfs/dbraw/zinc/24/86/09/1072248609.db2.gz MJAVSONPEXNFDB-MRXNPFEDSA-N 1 2 436.509 -0.123 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000440990043 1072248511 /nfs/dbraw/zinc/24/85/11/1072248511.db2.gz UOMVTMCBRBTSDV-AWEZNQCLSA-N 1 2 440.522 -0.901 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000440990046 1072248490 /nfs/dbraw/zinc/24/84/90/1072248490.db2.gz UOMVTMCBRBTSDV-CQSZACIVSA-N 1 2 440.522 -0.901 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000440990082 1072248525 /nfs/dbraw/zinc/24/85/25/1072248525.db2.gz UPVWLDXUEHXQMJ-INIZCTEOSA-N 1 2 442.538 -0.665 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000440990091 1072248581 /nfs/dbraw/zinc/24/85/81/1072248581.db2.gz UPVWLDXUEHXQMJ-MRXNPFEDSA-N 1 2 442.538 -0.665 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000440990149 1072248673 /nfs/dbraw/zinc/24/86/73/1072248673.db2.gz MNACEFPVKHQOEX-GOSISDBHSA-N 1 2 448.520 -0.222 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000440990151 1072248467 /nfs/dbraw/zinc/24/84/67/1072248467.db2.gz MNACEFPVKHQOEX-SFHVURJKSA-N 1 2 448.520 -0.222 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000440990380 1072248596 /nfs/dbraw/zinc/24/85/96/1072248596.db2.gz MYNCOXWZWQQHIG-INIZCTEOSA-N 1 2 439.476 -0.095 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000440990381 1072248567 /nfs/dbraw/zinc/24/85/67/1072248567.db2.gz MYNCOXWZWQQHIG-MRXNPFEDSA-N 1 2 439.476 -0.095 20 0 IBADLO CC(C)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n(-c2ncccn2)n1 ZINC000440990426 1072248657 /nfs/dbraw/zinc/24/86/57/1072248657.db2.gz NJGHGOANWQPVSF-HNNXBMFYSA-N 1 2 431.497 -0.124 20 0 IBADLO CC(C)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n(-c2ncccn2)n1 ZINC000440990427 1072248695 /nfs/dbraw/zinc/24/86/95/1072248695.db2.gz NJGHGOANWQPVSF-OAHLLOKOSA-N 1 2 431.497 -0.124 20 0 IBADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000440991235 1072248624 /nfs/dbraw/zinc/24/86/24/1072248624.db2.gz ODCBNBPNLTYHBE-KRWDZBQOSA-N 1 2 433.509 -0.131 20 0 IBADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000440991237 1072249207 /nfs/dbraw/zinc/24/92/07/1072249207.db2.gz ODCBNBPNLTYHBE-QGZVFWFLSA-N 1 2 433.509 -0.131 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OCC(=O)N(C)C)c1 ZINC000440991770 1072249049 /nfs/dbraw/zinc/24/90/49/1072249049.db2.gz YAAUZUBMGYNAKA-INIZCTEOSA-N 1 2 436.509 -0.448 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OCC(=O)N(C)C)c1 ZINC000440991775 1072249033 /nfs/dbraw/zinc/24/90/33/1072249033.db2.gz YAAUZUBMGYNAKA-MRXNPFEDSA-N 1 2 436.509 -0.448 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000440991918 1072249123 /nfs/dbraw/zinc/24/91/23/1072249123.db2.gz PQYTWEXCORARNL-GOSISDBHSA-N 1 2 446.504 -0.184 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000440991923 1072249146 /nfs/dbraw/zinc/24/91/46/1072249146.db2.gz PQYTWEXCORARNL-SFHVURJKSA-N 1 2 446.504 -0.184 20 0 IBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440992653 1072249101 /nfs/dbraw/zinc/24/91/01/1072249101.db2.gz PILQPQZZEKFCAN-INIZCTEOSA-N 1 2 442.538 -0.535 20 0 IBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440992659 1072248971 /nfs/dbraw/zinc/24/89/71/1072248971.db2.gz PILQPQZZEKFCAN-MRXNPFEDSA-N 1 2 442.538 -0.535 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000440992997 1072249173 /nfs/dbraw/zinc/24/91/73/1072249173.db2.gz RSBNIWFHDSYVTD-INIZCTEOSA-N 1 2 447.492 -0.246 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000440993001 1072248985 /nfs/dbraw/zinc/24/89/85/1072248985.db2.gz RSBNIWFHDSYVTD-MRXNPFEDSA-N 1 2 447.492 -0.246 20 0 IBADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440994682 1072249794 /nfs/dbraw/zinc/24/97/94/1072249794.db2.gz WWOZAGASOSIWRH-KRWDZBQOSA-N 1 2 442.538 -0.072 20 0 IBADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440994683 1072249763 /nfs/dbraw/zinc/24/97/63/1072249763.db2.gz WWOZAGASOSIWRH-QGZVFWFLSA-N 1 2 442.538 -0.072 20 0 IBADLO COCCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440994744 1072249923 /nfs/dbraw/zinc/24/99/23/1072249923.db2.gz XLRPEYMWFAYFFF-GOSISDBHSA-N 1 2 448.520 -0.298 20 0 IBADLO COCCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440994745 1072249741 /nfs/dbraw/zinc/24/97/41/1072249741.db2.gz XLRPEYMWFAYFFF-SFHVURJKSA-N 1 2 448.520 -0.298 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000440994918 1072249222 /nfs/dbraw/zinc/24/92/22/1072249222.db2.gz ZPJSTKGQPVJMTN-IBGZPJMESA-N 1 2 447.536 -0.836 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000440994920 1072249015 /nfs/dbraw/zinc/24/90/15/1072249015.db2.gz ZPJSTKGQPVJMTN-LJQANCHMSA-N 1 2 447.536 -0.836 20 0 IBADLO CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440995616 1072250332 /nfs/dbraw/zinc/25/03/32/1072250332.db2.gz WOQKESYATCPSMG-AWEZNQCLSA-N 1 2 431.486 -0.291 20 0 IBADLO CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440995617 1072250464 /nfs/dbraw/zinc/25/04/64/1072250464.db2.gz WOQKESYATCPSMG-CQSZACIVSA-N 1 2 431.486 -0.291 20 0 IBADLO COc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000440995631 1072249901 /nfs/dbraw/zinc/24/99/01/1072249901.db2.gz WQSNOTMFTRZIRX-INIZCTEOSA-N 1 2 434.493 -0.088 20 0 IBADLO COc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000440995632 1072249843 /nfs/dbraw/zinc/24/98/43/1072249843.db2.gz WQSNOTMFTRZIRX-MRXNPFEDSA-N 1 2 434.493 -0.088 20 0 IBADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440995895 1072249602 /nfs/dbraw/zinc/24/96/02/1072249602.db2.gz XITMWSLHIIVMGG-KRWDZBQOSA-N 1 2 442.538 -0.072 20 0 IBADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440995898 1072249616 /nfs/dbraw/zinc/24/96/16/1072249616.db2.gz XITMWSLHIIVMGG-QGZVFWFLSA-N 1 2 442.538 -0.072 20 0 IBADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440995995 1072249590 /nfs/dbraw/zinc/24/95/90/1072249590.db2.gz XPIQYXJZGCLJPY-INIZCTEOSA-N 1 2 436.509 -0.123 20 0 IBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C(=O)OC ZINC000440996013 1072249680 /nfs/dbraw/zinc/24/96/80/1072249680.db2.gz FTADGHXCYMEDFX-AWEZNQCLSA-N 1 2 437.449 -0.650 20 0 IBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C(=O)OC ZINC000440996017 1072249662 /nfs/dbraw/zinc/24/96/62/1072249662.db2.gz FTADGHXCYMEDFX-CQSZACIVSA-N 1 2 437.449 -0.650 20 0 IBADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440996067 1072249881 /nfs/dbraw/zinc/24/98/81/1072249881.db2.gz XPIQYXJZGCLJPY-MRXNPFEDSA-N 1 2 436.509 -0.123 20 0 IBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440996084 1072249699 /nfs/dbraw/zinc/24/96/99/1072249699.db2.gz XQBNVPPJIGYXMR-INIZCTEOSA-N 1 2 444.492 -0.630 20 0 IBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440996087 1072249638 /nfs/dbraw/zinc/24/96/38/1072249638.db2.gz XQBNVPPJIGYXMR-MRXNPFEDSA-N 1 2 444.492 -0.630 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440997366 1072250393 /nfs/dbraw/zinc/25/03/93/1072250393.db2.gz JEUGJOMIICNBMA-AWEZNQCLSA-N 1 2 428.511 -0.973 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440997367 1072250293 /nfs/dbraw/zinc/25/02/93/1072250293.db2.gz JEUGJOMIICNBMA-CQSZACIVSA-N 1 2 428.511 -0.973 20 0 IBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440998540 1072250982 /nfs/dbraw/zinc/25/09/82/1072250982.db2.gz NIUIUGKFWRDMBZ-GOSISDBHSA-N 1 2 448.520 -0.443 20 0 IBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440998541 1072250763 /nfs/dbraw/zinc/25/07/63/1072250763.db2.gz NIUIUGKFWRDMBZ-SFHVURJKSA-N 1 2 448.520 -0.443 20 0 IBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000440998700 1072250944 /nfs/dbraw/zinc/25/09/44/1072250944.db2.gz JMFFXIRIOUBMQM-APWZRJJASA-N 1 2 448.520 -0.542 20 0 IBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000440998701 1072250905 /nfs/dbraw/zinc/25/09/05/1072250905.db2.gz JMFFXIRIOUBMQM-LPHOPBHVSA-N 1 2 448.520 -0.542 20 0 IBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000440998702 1072250876 /nfs/dbraw/zinc/25/08/76/1072250876.db2.gz JMFFXIRIOUBMQM-QFBILLFUSA-N 1 2 448.520 -0.542 20 0 IBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000440998703 1072250955 /nfs/dbraw/zinc/25/09/55/1072250955.db2.gz JMFFXIRIOUBMQM-VQIMIIECSA-N 1 2 448.520 -0.542 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000440999496 1072251010 /nfs/dbraw/zinc/25/10/10/1072251010.db2.gz LGGCVYUSTVNWPP-CYBMUJFWSA-N 1 2 448.929 -0.199 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000440999511 1072250918 /nfs/dbraw/zinc/25/09/18/1072250918.db2.gz LGGCVYUSTVNWPP-ZDUSSCGKSA-N 1 2 448.929 -0.199 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440999594 1072250996 /nfs/dbraw/zinc/25/09/96/1072250996.db2.gz DSIQDAYYXNDVJL-UHFFFAOYSA-N 1 2 437.570 -0.146 20 0 IBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441001065 1072250739 /nfs/dbraw/zinc/25/07/39/1072250739.db2.gz OFDOZULWDCDLJO-HNNXBMFYSA-N 1 2 434.493 -0.688 20 0 IBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441001068 1072250818 /nfs/dbraw/zinc/25/08/18/1072250818.db2.gz OFDOZULWDCDLJO-OAHLLOKOSA-N 1 2 434.493 -0.688 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441001156 1072250844 /nfs/dbraw/zinc/25/08/44/1072250844.db2.gz CMVHBFROTJHYGD-HNNXBMFYSA-N 1 2 447.471 -0.231 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441001165 1072250887 /nfs/dbraw/zinc/25/08/87/1072250887.db2.gz CMVHBFROTJHYGD-OAHLLOKOSA-N 1 2 447.471 -0.231 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000441001509 1072251509 /nfs/dbraw/zinc/25/15/09/1072251509.db2.gz PMACILCXDVBMHC-KRWDZBQOSA-N 1 2 440.522 -0.684 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000441001511 1072251412 /nfs/dbraw/zinc/25/14/12/1072251412.db2.gz PMACILCXDVBMHC-QGZVFWFLSA-N 1 2 440.522 -0.684 20 0 IBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441002875 1072251445 /nfs/dbraw/zinc/25/14/45/1072251445.db2.gz SYXSRZKCAUGSRP-GOSISDBHSA-N 1 2 448.520 -0.443 20 0 IBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441002876 1072251479 /nfs/dbraw/zinc/25/14/79/1072251479.db2.gz SYXSRZKCAUGSRP-SFHVURJKSA-N 1 2 448.520 -0.443 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000441003320 1072251319 /nfs/dbraw/zinc/25/13/19/1072251319.db2.gz XHFVNNLMUZBAOM-GFCCVEGCSA-N 1 2 433.914 -0.167 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000441003321 1072251497 /nfs/dbraw/zinc/25/14/97/1072251497.db2.gz XHFVNNLMUZBAOM-LBPRGKRZSA-N 1 2 433.914 -0.167 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000441003807 1072251401 /nfs/dbraw/zinc/25/14/01/1072251401.db2.gz WBWNWDQLSAOKIH-GFCCVEGCSA-N 1 2 433.914 -0.167 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000441003809 1072251466 /nfs/dbraw/zinc/25/14/66/1072251466.db2.gz WBWNWDQLSAOKIH-LBPRGKRZSA-N 1 2 433.914 -0.167 20 0 IBADLO CN(C)c1nnc(-c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)o1 ZINC000441004181 1072251389 /nfs/dbraw/zinc/25/13/89/1072251389.db2.gz WXVVTLYJXVLQNH-INIZCTEOSA-N 1 2 432.481 -0.107 20 0 IBADLO CN(C)c1nnc(-c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)o1 ZINC000441004184 1072251522 /nfs/dbraw/zinc/25/15/22/1072251522.db2.gz WXVVTLYJXVLQNH-MRXNPFEDSA-N 1 2 432.481 -0.107 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000441004206 1072251571 /nfs/dbraw/zinc/25/15/71/1072251571.db2.gz XBFNFZJOBZSEQI-KRWDZBQOSA-N 1 2 429.477 -0.259 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000441004207 1072251554 /nfs/dbraw/zinc/25/15/54/1072251554.db2.gz XBFNFZJOBZSEQI-QGZVFWFLSA-N 1 2 429.477 -0.259 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000441004411 1072251346 /nfs/dbraw/zinc/25/13/46/1072251346.db2.gz ZTOVCUBDFRPFPE-INIZCTEOSA-N 1 2 436.900 0.070 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000441004413 1072251487 /nfs/dbraw/zinc/25/14/87/1072251487.db2.gz ZTOVCUBDFRPFPE-MRXNPFEDSA-N 1 2 436.900 0.070 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000441004493 1072252072 /nfs/dbraw/zinc/25/20/72/1072252072.db2.gz XEQGZLHDVODEIL-INIZCTEOSA-N 1 2 440.522 -0.783 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000441004497 1072248642 /nfs/dbraw/zinc/24/86/42/1072248642.db2.gz XEQGZLHDVODEIL-MRXNPFEDSA-N 1 2 440.522 -0.783 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000441006073 1072252117 /nfs/dbraw/zinc/25/21/17/1072252117.db2.gz BMGIRGBNYUTQOW-INIZCTEOSA-N 1 2 432.506 -0.085 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000441006076 1072251986 /nfs/dbraw/zinc/25/19/86/1072251986.db2.gz BMGIRGBNYUTQOW-MRXNPFEDSA-N 1 2 432.506 -0.085 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000441008092 1072252001 /nfs/dbraw/zinc/25/20/01/1072252001.db2.gz IOYGBQXXJOUIFM-AWEZNQCLSA-N 1 2 439.900 -0.040 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000441008094 1072252032 /nfs/dbraw/zinc/25/20/32/1072252032.db2.gz IOYGBQXXJOUIFM-CQSZACIVSA-N 1 2 439.900 -0.040 20 0 IBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000441008556 1072251929 /nfs/dbraw/zinc/25/19/29/1072251929.db2.gz IZPJILSOZSRAGA-AWEZNQCLSA-N 1 2 443.884 -0.018 20 0 IBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000441008557 1072252008 /nfs/dbraw/zinc/25/20/08/1072252008.db2.gz IZPJILSOZSRAGA-CQSZACIVSA-N 1 2 443.884 -0.018 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000441010028 1072252561 /nfs/dbraw/zinc/25/25/61/1072252561.db2.gz MIURMLZKVWFNTH-INIZCTEOSA-N 1 2 428.511 -0.462 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000441010031 1072252616 /nfs/dbraw/zinc/25/26/16/1072252616.db2.gz MIURMLZKVWFNTH-MRXNPFEDSA-N 1 2 428.511 -0.462 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441010891 1072252646 /nfs/dbraw/zinc/25/26/46/1072252646.db2.gz OYGUEBRCLKRBRU-HNNXBMFYSA-N 1 2 428.511 -0.973 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441010893 1072252590 /nfs/dbraw/zinc/25/25/90/1072252590.db2.gz OYGUEBRCLKRBRU-OAHLLOKOSA-N 1 2 428.511 -0.973 20 0 IBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000441012494 1072252626 /nfs/dbraw/zinc/25/26/26/1072252626.db2.gz SEMOJORECGBTJA-INIZCTEOSA-N 1 2 442.538 -0.537 20 0 IBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000441012495 1072252530 /nfs/dbraw/zinc/25/25/30/1072252530.db2.gz SEMOJORECGBTJA-MRXNPFEDSA-N 1 2 442.538 -0.537 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000441013153 1073333925 /nfs/dbraw/zinc/33/39/25/1073333925.db2.gz NEZAJVDYUBXITM-INIZCTEOSA-N 1 2 432.506 -0.085 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000441013160 1073334665 /nfs/dbraw/zinc/33/46/65/1073334665.db2.gz NEZAJVDYUBXITM-MRXNPFEDSA-N 1 2 432.506 -0.085 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000441013344 1072252518 /nfs/dbraw/zinc/25/25/18/1072252518.db2.gz UZTKELLPIONTMO-IBGZPJMESA-N 1 2 448.520 -0.822 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000441013345 1072252709 /nfs/dbraw/zinc/25/27/09/1072252709.db2.gz UZTKELLPIONTMO-LJQANCHMSA-N 1 2 448.520 -0.822 20 0 IBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000441014128 1073345181 /nfs/dbraw/zinc/34/51/81/1073345181.db2.gz WQCIBZVHOGSVIB-KRWDZBQOSA-N 1 2 431.493 0.030 20 0 IBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000441014129 1073345079 /nfs/dbraw/zinc/34/50/79/1073345079.db2.gz WQCIBZVHOGSVIB-QGZVFWFLSA-N 1 2 431.493 0.030 20 0 IBADLO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000441021229 1072253127 /nfs/dbraw/zinc/25/31/27/1072253127.db2.gz KDGGGCHCBOKGGS-GOSISDBHSA-N 1 2 445.520 -0.181 20 0 IBADLO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000441021235 1072253183 /nfs/dbraw/zinc/25/31/83/1072253183.db2.gz KDGGGCHCBOKGGS-SFHVURJKSA-N 1 2 445.520 -0.181 20 0 IBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1-n1nnnc1C ZINC000441022107 1072253115 /nfs/dbraw/zinc/25/31/15/1072253115.db2.gz LUCMFPZXPPFMKL-HNNXBMFYSA-N 1 2 433.469 -0.931 20 0 IBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1-n1nnnc1C ZINC000441022110 1072253167 /nfs/dbraw/zinc/25/31/67/1072253167.db2.gz LUCMFPZXPPFMKL-OAHLLOKOSA-N 1 2 433.469 -0.931 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000441025040 1072253571 /nfs/dbraw/zinc/25/35/71/1072253571.db2.gz RGMUOAJHXDGPKC-INIZCTEOSA-N 1 2 444.488 -0.217 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000441025041 1072253697 /nfs/dbraw/zinc/25/36/97/1072253697.db2.gz RGMUOAJHXDGPKC-MRXNPFEDSA-N 1 2 444.488 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000441065781 1072254367 /nfs/dbraw/zinc/25/43/67/1072254367.db2.gz RHKOBAPMQAQNTE-INIZCTEOSA-N 1 2 431.603 -0.553 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000441065781 1072254363 /nfs/dbraw/zinc/25/43/63/1072254363.db2.gz RHKOBAPMQAQNTE-INIZCTEOSA-N 1 2 431.603 -0.553 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000441065784 1072254229 /nfs/dbraw/zinc/25/42/29/1072254229.db2.gz RHKOBAPMQAQNTE-MRXNPFEDSA-N 1 2 431.603 -0.553 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000441065784 1072254221 /nfs/dbraw/zinc/25/42/21/1072254221.db2.gz RHKOBAPMQAQNTE-MRXNPFEDSA-N 1 2 431.603 -0.553 20 0 IBADLO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000441069058 1072255918 /nfs/dbraw/zinc/25/59/18/1072255918.db2.gz OKYXKKFHQQLRDM-UHFFFAOYSA-N 1 2 437.497 -0.239 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074316 1072255825 /nfs/dbraw/zinc/25/58/25/1072255825.db2.gz ZKADRWVCCBISSS-PBHICJAKSA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074316 1072255819 /nfs/dbraw/zinc/25/58/19/1072255819.db2.gz ZKADRWVCCBISSS-PBHICJAKSA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074317 1072255889 /nfs/dbraw/zinc/25/58/89/1072255889.db2.gz ZKADRWVCCBISSS-RHSMWYFYSA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074317 1072255882 /nfs/dbraw/zinc/25/58/82/1072255882.db2.gz ZKADRWVCCBISSS-RHSMWYFYSA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074318 1072255903 /nfs/dbraw/zinc/25/59/03/1072255903.db2.gz ZKADRWVCCBISSS-WMLDXEAASA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074318 1072255900 /nfs/dbraw/zinc/25/59/00/1072255900.db2.gz ZKADRWVCCBISSS-WMLDXEAASA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074319 1072255862 /nfs/dbraw/zinc/25/58/62/1072255862.db2.gz ZKADRWVCCBISSS-YOEHRIQHSA-N 1 2 446.595 -0.217 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000441074319 1072255853 /nfs/dbraw/zinc/25/58/53/1072255853.db2.gz ZKADRWVCCBISSS-YOEHRIQHSA-N 1 2 446.595 -0.217 20 0 IBADLO CN(CC(=O)NCc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441076567 1072255336 /nfs/dbraw/zinc/25/53/36/1072255336.db2.gz DYOMSSSIDOKJGI-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO CN(CC(=O)NCc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441080830 1072255319 /nfs/dbraw/zinc/25/53/19/1072255319.db2.gz QINBOHFEGHBNRB-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000441128917 1072257608 /nfs/dbraw/zinc/25/76/08/1072257608.db2.gz AIAOTBSIONEIGT-UHFFFAOYSA-N 1 2 440.522 -0.028 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000441130942 1072258276 /nfs/dbraw/zinc/25/82/76/1072258276.db2.gz AYOMQMGSHUQFOU-UHFFFAOYSA-N 1 2 426.543 0.293 20 0 IBADLO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000441195940 1072259905 /nfs/dbraw/zinc/25/99/05/1072259905.db2.gz IOEMWRYPHDUHLO-INIZCTEOSA-N 1 2 449.508 -0.015 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000441203868 1073333903 /nfs/dbraw/zinc/33/39/03/1073333903.db2.gz RVFRFDAPEJYBHE-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000441212299 1072262416 /nfs/dbraw/zinc/26/24/16/1072262416.db2.gz SNDVCWVBAWWSHJ-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](CC)CN1C(C)=O ZINC000441222732 1073347969 /nfs/dbraw/zinc/34/79/69/1073347969.db2.gz AARHDVYTKZVXHI-MSOLQXFVSA-N 1 2 434.541 0.402 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](CC)CN1C(C)=O ZINC000441222737 1072261821 /nfs/dbraw/zinc/26/18/21/1072261821.db2.gz AARHDVYTKZVXHI-QZTJIDSGSA-N 1 2 434.541 0.402 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](CC)CN1C(C)=O ZINC000441222741 1073348833 /nfs/dbraw/zinc/34/88/33/1073348833.db2.gz AARHDVYTKZVXHI-ROUUACIJSA-N 1 2 434.541 0.402 20 0 IBADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441222746 1072261929 /nfs/dbraw/zinc/26/19/29/1072261929.db2.gz AARHDVYTKZVXHI-ZWKOTPCHSA-N 1 2 434.541 0.402 20 0 IBADLO C[S@@](=O)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000441241569 1072263836 /nfs/dbraw/zinc/26/38/36/1072263836.db2.gz YSPBNCSQVBNRLN-HHHXNRCGSA-N 1 2 429.568 -0.256 20 0 IBADLO C[S@](=O)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000441241573 1072263868 /nfs/dbraw/zinc/26/38/68/1072263868.db2.gz YSPBNCSQVBNRLN-MHZLTWQESA-N 1 2 429.568 -0.256 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250807 1070842347 /nfs/dbraw/zinc/84/23/47/1070842347.db2.gz QZZVGOHMRBJPJG-PMACEKPBSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250807 1070842319 /nfs/dbraw/zinc/84/23/19/1070842319.db2.gz QZZVGOHMRBJPJG-PMACEKPBSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250809 1070841646 /nfs/dbraw/zinc/84/16/46/1070841646.db2.gz QZZVGOHMRBJPJG-UXHICEINSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250809 1070841611 /nfs/dbraw/zinc/84/16/11/1070841611.db2.gz QZZVGOHMRBJPJG-UXHICEINSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250811 1070842204 /nfs/dbraw/zinc/84/22/04/1070842204.db2.gz QZZVGOHMRBJPJG-VQTJNVASSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250811 1070842178 /nfs/dbraw/zinc/84/21/78/1070842178.db2.gz QZZVGOHMRBJPJG-VQTJNVASSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250813 1070841978 /nfs/dbraw/zinc/84/19/78/1070841978.db2.gz QZZVGOHMRBJPJG-WOJBJXKFSA-N 1 2 434.512 -0.064 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1)N1CCOCC1 ZINC000441250813 1070841942 /nfs/dbraw/zinc/84/19/42/1070841942.db2.gz QZZVGOHMRBJPJG-WOJBJXKFSA-N 1 2 434.512 -0.064 20 0 IBADLO NC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000441254057 1072264876 /nfs/dbraw/zinc/26/48/76/1072264876.db2.gz MBJRDCGWGMAVEV-UHFFFAOYSA-N 1 2 447.521 -0.473 20 0 IBADLO CC(C)CN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000441306484 1072267464 /nfs/dbraw/zinc/26/74/64/1072267464.db2.gz SWBGHNZTCFZPNQ-UHFFFAOYSA-N 1 2 430.509 -0.266 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CN(c4ccccc4)C3=O)ccn2)CC1 ZINC000441341110 1072269461 /nfs/dbraw/zinc/26/94/61/1072269461.db2.gz MCAIKAZIWYZPIV-GOSISDBHSA-N 1 2 436.472 -0.061 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CN(c4ccccc4)C3=O)ccn2)CC1 ZINC000441341111 1072269535 /nfs/dbraw/zinc/26/95/35/1072269535.db2.gz MCAIKAZIWYZPIV-SFHVURJKSA-N 1 2 436.472 -0.061 20 0 IBADLO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000441342115 1072269515 /nfs/dbraw/zinc/26/95/15/1072269515.db2.gz QXDHQQMABWMAKJ-NRFANRHFSA-N 1 2 434.493 -0.281 20 0 IBADLO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000441342116 1072269483 /nfs/dbraw/zinc/26/94/83/1072269483.db2.gz QXDHQQMABWMAKJ-OAQYLSRUSA-N 1 2 434.493 -0.281 20 0 IBADLO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000441352187 1072268123 /nfs/dbraw/zinc/26/81/23/1072268123.db2.gz DTTVWUSAJKRFCE-NRFANRHFSA-N 1 2 434.493 -0.281 20 0 IBADLO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000441352190 1072267942 /nfs/dbraw/zinc/26/79/42/1072267942.db2.gz DTTVWUSAJKRFCE-OAQYLSRUSA-N 1 2 434.493 -0.281 20 0 IBADLO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000441354280 1072268372 /nfs/dbraw/zinc/26/83/72/1072268372.db2.gz IANGYNPZWRLONB-NRFANRHFSA-N 1 2 434.493 -0.281 20 0 IBADLO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000441354284 1072268387 /nfs/dbraw/zinc/26/83/87/1072268387.db2.gz IANGYNPZWRLONB-OAQYLSRUSA-N 1 2 434.493 -0.281 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000441376486 1072272020 /nfs/dbraw/zinc/27/20/20/1072272020.db2.gz ANHVUAPENJPMLF-UHFFFAOYSA-N 1 2 447.505 -0.013 20 0 IBADLO Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441385699 1072273093 /nfs/dbraw/zinc/27/30/93/1072273093.db2.gz SNMHSTXPSHVBIQ-IBGZPJMESA-N 1 2 440.504 0.162 20 0 IBADLO Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441385701 1072273006 /nfs/dbraw/zinc/27/30/06/1072273006.db2.gz SNMHSTXPSHVBIQ-LJQANCHMSA-N 1 2 440.504 0.162 20 0 IBADLO NC(=O)c1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000441386118 1072272594 /nfs/dbraw/zinc/27/25/94/1072272594.db2.gz PRTCXPHEKSJTCD-UHFFFAOYSA-N 1 2 426.481 -0.161 20 0 IBADLO NC(=O)c1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000441386118 1072272589 /nfs/dbraw/zinc/27/25/89/1072272589.db2.gz PRTCXPHEKSJTCD-UHFFFAOYSA-N 1 2 426.481 -0.161 20 0 IBADLO Cn1cc(S(=O)(=O)NCCN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)cn1 ZINC000441393957 1072272566 /nfs/dbraw/zinc/27/25/66/1072272566.db2.gz IPWQLZJZXUTTCX-UHFFFAOYSA-N 1 2 438.529 -0.115 20 0 IBADLO CC(C)[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOCC1 ZINC000441424599 1072284781 /nfs/dbraw/zinc/28/47/81/1072284781.db2.gz VJBCWMOIJLLGHT-KRWDZBQOSA-N 1 2 436.513 -0.847 20 0 IBADLO CC(C)[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOCC1 ZINC000441424601 1072284609 /nfs/dbraw/zinc/28/46/09/1072284609.db2.gz VJBCWMOIJLLGHT-QGZVFWFLSA-N 1 2 436.513 -0.847 20 0 IBADLO Cn1cc(S(=O)(=O)NCCN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000441435409 1072286450 /nfs/dbraw/zinc/28/64/50/1072286450.db2.gz FAKWCKAWCWOGAA-UHFFFAOYSA-N 1 2 436.542 -0.853 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000441470771 1072290896 /nfs/dbraw/zinc/29/08/96/1072290896.db2.gz VCHPQXHFCTYNSB-UHFFFAOYSA-N 1 2 430.469 -0.616 20 0 IBADLO COc1cccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000441479844 1072292178 /nfs/dbraw/zinc/29/21/78/1072292178.db2.gz RIIRNJWANDBWCW-UHFFFAOYSA-N 1 2 426.543 -0.548 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000441517507 1072296392 /nfs/dbraw/zinc/29/63/92/1072296392.db2.gz ZVQCMMQTLTZBNT-KBPBESRZSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000441517507 1072296385 /nfs/dbraw/zinc/29/63/85/1072296385.db2.gz ZVQCMMQTLTZBNT-KBPBESRZSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000441517508 1072296469 /nfs/dbraw/zinc/29/64/69/1072296469.db2.gz ZVQCMMQTLTZBNT-KGLIPLIRSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000441517508 1072296463 /nfs/dbraw/zinc/29/64/63/1072296463.db2.gz ZVQCMMQTLTZBNT-KGLIPLIRSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000441517509 1072296444 /nfs/dbraw/zinc/29/64/44/1072296444.db2.gz ZVQCMMQTLTZBNT-UONOGXRCSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000441517509 1072296437 /nfs/dbraw/zinc/29/64/37/1072296437.db2.gz ZVQCMMQTLTZBNT-UONOGXRCSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000441517510 1072296416 /nfs/dbraw/zinc/29/64/16/1072296416.db2.gz ZVQCMMQTLTZBNT-ZIAGYGMSSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000441517510 1072296407 /nfs/dbraw/zinc/29/64/07/1072296407.db2.gz ZVQCMMQTLTZBNT-ZIAGYGMSSA-N 1 2 427.527 -0.058 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000441524415 1072296842 /nfs/dbraw/zinc/29/68/42/1072296842.db2.gz OKEKMZBOVRXJHD-UHFFFAOYSA-N 1 2 445.484 -0.891 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000441524415 1072296833 /nfs/dbraw/zinc/29/68/33/1072296833.db2.gz OKEKMZBOVRXJHD-UHFFFAOYSA-N 1 2 445.484 -0.891 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000441558724 1072299111 /nfs/dbraw/zinc/29/91/11/1072299111.db2.gz ZENGUIDTRADBSX-GOSISDBHSA-N 1 2 438.550 -0.043 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000441558726 1072299128 /nfs/dbraw/zinc/29/91/28/1072299128.db2.gz ZENGUIDTRADBSX-SFHVURJKSA-N 1 2 438.550 -0.043 20 0 IBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000441686296 1072313581 /nfs/dbraw/zinc/31/35/81/1072313581.db2.gz KJAASWBQTXTXIM-UHFFFAOYSA-N 1 2 436.513 -0.750 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3cn(CC(=O)OC)nn3)cc2)CC1 ZINC000441774626 1072321488 /nfs/dbraw/zinc/32/14/88/1072321488.db2.gz JGWWUUHTNMVXHV-UHFFFAOYSA-N 1 2 443.508 -0.157 20 0 IBADLO COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)nn1 ZINC000441776770 1072321706 /nfs/dbraw/zinc/32/17/06/1072321706.db2.gz KJRJIJXMEIFODK-UHFFFAOYSA-N 1 2 429.481 -0.547 20 0 IBADLO CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441806376 1072323092 /nfs/dbraw/zinc/32/30/92/1072323092.db2.gz SPVORFKSRCQPQX-UHFFFAOYSA-N 1 2 443.430 0.565 20 0 IBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000441862219 1072365941 /nfs/dbraw/zinc/36/59/41/1072365941.db2.gz FRQWRGKEHNODPO-KRWDZBQOSA-N 1 2 430.509 -0.123 20 0 IBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000441862222 1072365854 /nfs/dbraw/zinc/36/58/54/1072365854.db2.gz FRQWRGKEHNODPO-QGZVFWFLSA-N 1 2 430.509 -0.123 20 0 IBADLO CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441955273 1072372044 /nfs/dbraw/zinc/37/20/44/1072372044.db2.gz IKKDQAQFBPDMCQ-IBGZPJMESA-N 1 2 425.486 -0.637 20 0 IBADLO CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441955275 1072371842 /nfs/dbraw/zinc/37/18/42/1072371842.db2.gz IKKDQAQFBPDMCQ-LJQANCHMSA-N 1 2 425.486 -0.637 20 0 IBADLO Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441962699 1073348794 /nfs/dbraw/zinc/34/87/94/1073348794.db2.gz VXPMPZSPVACBRG-INIZCTEOSA-N 1 2 431.497 0.094 20 0 IBADLO Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441962701 1072374212 /nfs/dbraw/zinc/37/42/12/1072374212.db2.gz VXPMPZSPVACBRG-MRXNPFEDSA-N 1 2 431.497 0.094 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)ccn2)CC1 ZINC000441977184 1072373066 /nfs/dbraw/zinc/37/30/66/1072373066.db2.gz MGNHDKMGYNVDBL-NRFANRHFSA-N 1 2 449.508 -0.383 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)ccn2)CC1 ZINC000441977188 1072372916 /nfs/dbraw/zinc/37/29/16/1072372916.db2.gz MGNHDKMGYNVDBL-OAQYLSRUSA-N 1 2 449.508 -0.383 20 0 IBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000442005139 1072383966 /nfs/dbraw/zinc/38/39/66/1072383966.db2.gz YEJJLBRVNQWWSO-PBHICJAKSA-N 1 2 429.477 -0.813 20 0 IBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000442005145 1072383777 /nfs/dbraw/zinc/38/37/77/1072383777.db2.gz YEJJLBRVNQWWSO-RHSMWYFYSA-N 1 2 429.477 -0.813 20 0 IBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000442005151 1072383924 /nfs/dbraw/zinc/38/39/24/1072383924.db2.gz YEJJLBRVNQWWSO-WMLDXEAASA-N 1 2 429.477 -0.813 20 0 IBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000442005157 1072383726 /nfs/dbraw/zinc/38/37/26/1072383726.db2.gz YEJJLBRVNQWWSO-YOEHRIQHSA-N 1 2 429.477 -0.813 20 0 IBADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442005631 1072384783 /nfs/dbraw/zinc/38/47/83/1072384783.db2.gz VFNSOWXPBKJSCO-KRWDZBQOSA-N 1 2 436.472 -0.006 20 0 IBADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442005637 1072384746 /nfs/dbraw/zinc/38/47/46/1072384746.db2.gz VFNSOWXPBKJSCO-QGZVFWFLSA-N 1 2 436.472 -0.006 20 0 IBADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442007991 1072385240 /nfs/dbraw/zinc/38/52/40/1072385240.db2.gz WHVMEPOTHIYSQB-HNNXBMFYSA-N 1 2 434.456 -0.291 20 0 IBADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442007995 1072385318 /nfs/dbraw/zinc/38/53/18/1072385318.db2.gz WHVMEPOTHIYSQB-OAHLLOKOSA-N 1 2 434.456 -0.291 20 0 IBADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@@H](C)O1 ZINC000442014085 1072387272 /nfs/dbraw/zinc/38/72/72/1072387272.db2.gz BIEBPXCSZAADBQ-CKEIUWERSA-N 1 2 429.477 -0.003 20 0 IBADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@@H](C)O1 ZINC000442014086 1072387322 /nfs/dbraw/zinc/38/73/22/1072387322.db2.gz BIEBPXCSZAADBQ-CPUCHLNUSA-N 1 2 429.477 -0.003 20 0 IBADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@H](C)O1 ZINC000442014087 1072387302 /nfs/dbraw/zinc/38/73/02/1072387302.db2.gz BIEBPXCSZAADBQ-JKIFEVAISA-N 1 2 429.477 -0.003 20 0 IBADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@H](C)O1 ZINC000442014087 1072387293 /nfs/dbraw/zinc/38/72/93/1072387293.db2.gz BIEBPXCSZAADBQ-JKIFEVAISA-N 1 2 429.477 -0.003 20 0 IBADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@H](C)O1 ZINC000442014088 1072387682 /nfs/dbraw/zinc/38/76/82/1072387682.db2.gz BIEBPXCSZAADBQ-VBQJREDUSA-N 1 2 429.477 -0.003 20 0 IBADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@H](C)O1 ZINC000442014088 1072387678 /nfs/dbraw/zinc/38/76/78/1072387678.db2.gz BIEBPXCSZAADBQ-VBQJREDUSA-N 1 2 429.477 -0.003 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442022334 1072389164 /nfs/dbraw/zinc/38/91/64/1072389164.db2.gz VTHSKKRFTCLUDM-KRWDZBQOSA-N 1 2 442.476 -0.948 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442022346 1072389062 /nfs/dbraw/zinc/38/90/62/1072389062.db2.gz VTHSKKRFTCLUDM-QGZVFWFLSA-N 1 2 442.476 -0.948 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000442024754 1072390621 /nfs/dbraw/zinc/39/06/21/1072390621.db2.gz LSCVXHGIUDVFHH-UHFFFAOYSA-N 1 2 440.512 -0.465 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000442024754 1072390616 /nfs/dbraw/zinc/39/06/16/1072390616.db2.gz LSCVXHGIUDVFHH-UHFFFAOYSA-N 1 2 440.512 -0.465 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000442026897 1072391174 /nfs/dbraw/zinc/39/11/74/1072391174.db2.gz HKGXNWVOVVRBGR-KRWDZBQOSA-N 1 2 442.476 -0.948 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000442026899 1072391096 /nfs/dbraw/zinc/39/10/96/1072391096.db2.gz HKGXNWVOVVRBGR-QGZVFWFLSA-N 1 2 442.476 -0.948 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000442029857 1072391778 /nfs/dbraw/zinc/39/17/78/1072391778.db2.gz MHCHCXFCQYRHET-KRWDZBQOSA-N 1 2 442.476 -0.948 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000442029858 1072392517 /nfs/dbraw/zinc/39/25/17/1072392517.db2.gz MHCHCXFCQYRHET-QGZVFWFLSA-N 1 2 442.476 -0.948 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000442037977 1072395042 /nfs/dbraw/zinc/39/50/42/1072395042.db2.gz WPYAKHOOTKOTSK-KRWDZBQOSA-N 1 2 428.493 -0.475 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000442037979 1072395192 /nfs/dbraw/zinc/39/51/92/1072395192.db2.gz WPYAKHOOTKOTSK-QGZVFWFLSA-N 1 2 428.493 -0.475 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)[C@@H](C)C1 ZINC000442043032 1072397953 /nfs/dbraw/zinc/39/79/53/1072397953.db2.gz HRJICSLFZXQPHR-AWEZNQCLSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)[C@@H](C)C1 ZINC000442043032 1072397944 /nfs/dbraw/zinc/39/79/44/1072397944.db2.gz HRJICSLFZXQPHR-AWEZNQCLSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)[C@H](C)C1 ZINC000442043034 1072398149 /nfs/dbraw/zinc/39/81/49/1072398149.db2.gz HRJICSLFZXQPHR-CQSZACIVSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)[C@H](C)C1 ZINC000442043034 1072398147 /nfs/dbraw/zinc/39/81/47/1072398147.db2.gz HRJICSLFZXQPHR-CQSZACIVSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@@H](C)C1 ZINC000442051961 1072395801 /nfs/dbraw/zinc/39/58/01/1072395801.db2.gz GAOOUYIUYMGPCL-INIZCTEOSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@@H](C)C1 ZINC000442051961 1072395791 /nfs/dbraw/zinc/39/57/91/1072395791.db2.gz GAOOUYIUYMGPCL-INIZCTEOSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@H](C)C1 ZINC000442051963 1072395610 /nfs/dbraw/zinc/39/56/10/1072395610.db2.gz GAOOUYIUYMGPCL-MRXNPFEDSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@H](C)C1 ZINC000442051963 1072395603 /nfs/dbraw/zinc/39/56/03/1072395603.db2.gz GAOOUYIUYMGPCL-MRXNPFEDSA-N 1 2 436.513 -0.750 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1=O ZINC000442057212 1072396211 /nfs/dbraw/zinc/39/62/11/1072396211.db2.gz MSXLJZVTPMHRFD-AWEZNQCLSA-N 1 2 436.465 -0.554 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1=O ZINC000442057212 1072396206 /nfs/dbraw/zinc/39/62/06/1072396206.db2.gz MSXLJZVTPMHRFD-AWEZNQCLSA-N 1 2 436.465 -0.554 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1=O ZINC000442057213 1072396460 /nfs/dbraw/zinc/39/64/60/1072396460.db2.gz MSXLJZVTPMHRFD-CQSZACIVSA-N 1 2 436.465 -0.554 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1=O ZINC000442057213 1072396451 /nfs/dbraw/zinc/39/64/51/1072396451.db2.gz MSXLJZVTPMHRFD-CQSZACIVSA-N 1 2 436.465 -0.554 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)[C@H](C)C1 ZINC000442060637 1072396900 /nfs/dbraw/zinc/39/69/00/1072396900.db2.gz QQADBHBGOCEVJT-CYBMUJFWSA-N 1 2 436.465 -0.406 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)[C@H](C)C1 ZINC000442060637 1072396887 /nfs/dbraw/zinc/39/68/87/1072396887.db2.gz QQADBHBGOCEVJT-CYBMUJFWSA-N 1 2 436.465 -0.406 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)[C@@H](C)C1 ZINC000442060638 1072397019 /nfs/dbraw/zinc/39/70/19/1072397019.db2.gz QQADBHBGOCEVJT-ZDUSSCGKSA-N 1 2 436.465 -0.406 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)[C@@H](C)C1 ZINC000442060638 1072397015 /nfs/dbraw/zinc/39/70/15/1072397015.db2.gz QQADBHBGOCEVJT-ZDUSSCGKSA-N 1 2 436.465 -0.406 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)[C@@H](C)C1 ZINC000442066020 1072400206 /nfs/dbraw/zinc/40/02/06/1072400206.db2.gz SZLGEIDDMSARBK-AWEZNQCLSA-N 1 2 430.465 -0.395 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)[C@@H](C)C1 ZINC000442066020 1072400202 /nfs/dbraw/zinc/40/02/02/1072400202.db2.gz SZLGEIDDMSARBK-AWEZNQCLSA-N 1 2 430.465 -0.395 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)[C@H](C)C1 ZINC000442066021 1072400303 /nfs/dbraw/zinc/40/03/03/1072400303.db2.gz SZLGEIDDMSARBK-CQSZACIVSA-N 1 2 430.465 -0.395 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)[C@H](C)C1 ZINC000442066021 1072400299 /nfs/dbraw/zinc/40/02/99/1072400299.db2.gz SZLGEIDDMSARBK-CQSZACIVSA-N 1 2 430.465 -0.395 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000442069325 1072400260 /nfs/dbraw/zinc/40/02/60/1072400260.db2.gz HGEOEPFSRSWQGN-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000442069325 1072400258 /nfs/dbraw/zinc/40/02/58/1072400258.db2.gz HGEOEPFSRSWQGN-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000442069327 1072400804 /nfs/dbraw/zinc/40/08/04/1072400804.db2.gz HGEOEPFSRSWQGN-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000442069327 1072400799 /nfs/dbraw/zinc/40/07/99/1072400799.db2.gz HGEOEPFSRSWQGN-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)[C@@H](C)C1 ZINC000442069373 1072400888 /nfs/dbraw/zinc/40/08/88/1072400888.db2.gz HLVHIJRIXFDUNV-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)[C@@H](C)C1 ZINC000442069373 1072400883 /nfs/dbraw/zinc/40/08/83/1072400883.db2.gz HLVHIJRIXFDUNV-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)[C@H](C)C1 ZINC000442069374 1072400744 /nfs/dbraw/zinc/40/07/44/1072400744.db2.gz HLVHIJRIXFDUNV-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)[C@H](C)C1 ZINC000442069374 1072400738 /nfs/dbraw/zinc/40/07/38/1072400738.db2.gz HLVHIJRIXFDUNV-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1S(N)(=O)=O ZINC000442072565 1072399038 /nfs/dbraw/zinc/39/90/38/1072399038.db2.gz MUJRKOWSTRRBKS-CYBMUJFWSA-N 1 2 440.522 -0.069 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1S(N)(=O)=O ZINC000442072565 1072399026 /nfs/dbraw/zinc/39/90/26/1072399026.db2.gz MUJRKOWSTRRBKS-CYBMUJFWSA-N 1 2 440.522 -0.069 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1S(N)(=O)=O ZINC000442072628 1072398954 /nfs/dbraw/zinc/39/89/54/1072398954.db2.gz MUJRKOWSTRRBKS-ZDUSSCGKSA-N 1 2 440.522 -0.069 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1S(N)(=O)=O ZINC000442072628 1072398948 /nfs/dbraw/zinc/39/89/48/1072398948.db2.gz MUJRKOWSTRRBKS-ZDUSSCGKSA-N 1 2 440.522 -0.069 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@@H](C)C1 ZINC000442078045 1072399804 /nfs/dbraw/zinc/39/98/04/1072399804.db2.gz JOQPNAVADWLRPI-AWEZNQCLSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@@H](C)C1 ZINC000442078045 1072399797 /nfs/dbraw/zinc/39/97/97/1072399797.db2.gz JOQPNAVADWLRPI-AWEZNQCLSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@H](C)C1 ZINC000442078052 1072399655 /nfs/dbraw/zinc/39/96/55/1072399655.db2.gz JOQPNAVADWLRPI-CQSZACIVSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@H](C)C1 ZINC000442078052 1072399646 /nfs/dbraw/zinc/39/96/46/1072399646.db2.gz JOQPNAVADWLRPI-CQSZACIVSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000442078543 1072399681 /nfs/dbraw/zinc/39/96/81/1072399681.db2.gz LOZIXRMEYHGHSF-AWEZNQCLSA-N 1 2 440.522 -0.230 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000442078543 1072399672 /nfs/dbraw/zinc/39/96/72/1072399672.db2.gz LOZIXRMEYHGHSF-AWEZNQCLSA-N 1 2 440.522 -0.230 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000442078546 1072399497 /nfs/dbraw/zinc/39/94/97/1072399497.db2.gz LOZIXRMEYHGHSF-CQSZACIVSA-N 1 2 440.522 -0.230 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000442078546 1072399488 /nfs/dbraw/zinc/39/94/88/1072399488.db2.gz LOZIXRMEYHGHSF-CQSZACIVSA-N 1 2 440.522 -0.230 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1C ZINC000442080642 1072399778 /nfs/dbraw/zinc/39/97/78/1072399778.db2.gz OGBSBFFJUJCQOY-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1C ZINC000442080642 1072399768 /nfs/dbraw/zinc/39/97/68/1072399768.db2.gz OGBSBFFJUJCQOY-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ccc1C ZINC000442080643 1072399467 /nfs/dbraw/zinc/39/94/67/1072399467.db2.gz OGBSBFFJUJCQOY-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)ccc1C ZINC000442080643 1072399459 /nfs/dbraw/zinc/39/94/59/1072399459.db2.gz OGBSBFFJUJCQOY-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1C ZINC000442086045 1072399529 /nfs/dbraw/zinc/39/95/29/1072399529.db2.gz OWLVLXWMAABTNA-CYBMUJFWSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1C ZINC000442086045 1072399523 /nfs/dbraw/zinc/39/95/23/1072399523.db2.gz OWLVLXWMAABTNA-CYBMUJFWSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1C ZINC000442086051 1072400250 /nfs/dbraw/zinc/40/02/50/1072400250.db2.gz OWLVLXWMAABTNA-ZDUSSCGKSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1C ZINC000442086051 1072400249 /nfs/dbraw/zinc/40/02/49/1072400249.db2.gz OWLVLXWMAABTNA-ZDUSSCGKSA-N 1 2 440.522 -0.063 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442088784 1072402079 /nfs/dbraw/zinc/40/20/79/1072402079.db2.gz QJQYUHOIAHHLOG-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442088784 1072402074 /nfs/dbraw/zinc/40/20/74/1072402074.db2.gz QJQYUHOIAHHLOG-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000442088787 1072402179 /nfs/dbraw/zinc/40/21/79/1072402179.db2.gz QJQYUHOIAHHLOG-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000442088787 1072402170 /nfs/dbraw/zinc/40/21/70/1072402170.db2.gz QJQYUHOIAHHLOG-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@H](C)C1 ZINC000442091609 1072400838 /nfs/dbraw/zinc/40/08/38/1072400838.db2.gz PNMPARQGCMAFMI-CYBMUJFWSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@H](C)C1 ZINC000442091609 1072400831 /nfs/dbraw/zinc/40/08/31/1072400831.db2.gz PNMPARQGCMAFMI-CYBMUJFWSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@@H](C)C1 ZINC000442091610 1072400936 /nfs/dbraw/zinc/40/09/36/1072400936.db2.gz PNMPARQGCMAFMI-ZDUSSCGKSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@@H](C)C1 ZINC000442091610 1072400935 /nfs/dbraw/zinc/40/09/35/1072400935.db2.gz PNMPARQGCMAFMI-ZDUSSCGKSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000442091615 1072400766 /nfs/dbraw/zinc/40/07/66/1072400766.db2.gz PPFAFNLCJRJYIY-GDBMZVCRSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000442091615 1072400762 /nfs/dbraw/zinc/40/07/62/1072400762.db2.gz PPFAFNLCJRJYIY-GDBMZVCRSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000442091616 1072400855 /nfs/dbraw/zinc/40/08/55/1072400855.db2.gz PPFAFNLCJRJYIY-GOEBONIOSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000442091616 1072400851 /nfs/dbraw/zinc/40/08/51/1072400851.db2.gz PPFAFNLCJRJYIY-GOEBONIOSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000442091617 1072400912 /nfs/dbraw/zinc/40/09/12/1072400912.db2.gz PPFAFNLCJRJYIY-HOCLYGCPSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000442091617 1072400909 /nfs/dbraw/zinc/40/09/09/1072400909.db2.gz PPFAFNLCJRJYIY-HOCLYGCPSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000442092118 1072400727 /nfs/dbraw/zinc/40/07/27/1072400727.db2.gz PPFAFNLCJRJYIY-ZBFHGGJFSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000442092118 1072400721 /nfs/dbraw/zinc/40/07/21/1072400721.db2.gz PPFAFNLCJRJYIY-ZBFHGGJFSA-N 1 2 444.488 -0.074 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000442093412 1072400926 /nfs/dbraw/zinc/40/09/26/1072400926.db2.gz YQHCJUSNXPJUPQ-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000442093412 1072400922 /nfs/dbraw/zinc/40/09/22/1072400922.db2.gz YQHCJUSNXPJUPQ-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000442093414 1072401556 /nfs/dbraw/zinc/40/15/56/1072401556.db2.gz YQHCJUSNXPJUPQ-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000442093414 1072401552 /nfs/dbraw/zinc/40/15/52/1072401552.db2.gz YQHCJUSNXPJUPQ-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000442098311 1072401522 /nfs/dbraw/zinc/40/15/22/1072401522.db2.gz PTMBMQNFCRTQKK-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000442098311 1072401519 /nfs/dbraw/zinc/40/15/19/1072401519.db2.gz PTMBMQNFCRTQKK-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000442098313 1072401455 /nfs/dbraw/zinc/40/14/55/1072401455.db2.gz PTMBMQNFCRTQKK-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000442098313 1072401450 /nfs/dbraw/zinc/40/14/50/1072401450.db2.gz PTMBMQNFCRTQKK-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442099799 1072401419 /nfs/dbraw/zinc/40/14/19/1072401419.db2.gz UCCQQAIOFKYJJQ-LLVKDONJSA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442099799 1072401413 /nfs/dbraw/zinc/40/14/13/1072401413.db2.gz UCCQQAIOFKYJJQ-LLVKDONJSA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442099802 1072401436 /nfs/dbraw/zinc/40/14/36/1072401436.db2.gz UCCQQAIOFKYJJQ-NSHDSACASA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442099802 1072401430 /nfs/dbraw/zinc/40/14/30/1072401430.db2.gz UCCQQAIOFKYJJQ-NSHDSACASA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)[C@@H](C)C1 ZINC000442099972 1072401471 /nfs/dbraw/zinc/40/14/71/1072401471.db2.gz DNJDRLCUPOVDBK-INIZCTEOSA-N 1 2 428.493 0.555 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)[C@@H](C)C1 ZINC000442099972 1072401466 /nfs/dbraw/zinc/40/14/66/1072401466.db2.gz DNJDRLCUPOVDBK-INIZCTEOSA-N 1 2 428.493 0.555 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)[C@H](C)C1 ZINC000442099975 1072401511 /nfs/dbraw/zinc/40/15/11/1072401511.db2.gz DNJDRLCUPOVDBK-MRXNPFEDSA-N 1 2 428.493 0.555 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)[C@H](C)C1 ZINC000442099975 1072401504 /nfs/dbraw/zinc/40/15/04/1072401504.db2.gz DNJDRLCUPOVDBK-MRXNPFEDSA-N 1 2 428.493 0.555 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)[C@H](C)C1 ZINC000442100316 1072401631 /nfs/dbraw/zinc/40/16/31/1072401631.db2.gz VNRCODRVUUWVCY-CYBMUJFWSA-N 1 2 431.453 -0.295 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)[C@H](C)C1 ZINC000442100316 1072401629 /nfs/dbraw/zinc/40/16/29/1072401629.db2.gz VNRCODRVUUWVCY-CYBMUJFWSA-N 1 2 431.453 -0.295 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)[C@@H](C)C1 ZINC000442100318 1072401606 /nfs/dbraw/zinc/40/16/06/1072401606.db2.gz VNRCODRVUUWVCY-ZDUSSCGKSA-N 1 2 431.453 -0.295 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)[C@@H](C)C1 ZINC000442100318 1072401602 /nfs/dbraw/zinc/40/16/02/1072401602.db2.gz VNRCODRVUUWVCY-ZDUSSCGKSA-N 1 2 431.453 -0.295 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442101210 1072401584 /nfs/dbraw/zinc/40/15/84/1072401584.db2.gz XQKMWPSGTWUSKO-CYBMUJFWSA-N 1 2 426.495 -0.323 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442101210 1072401582 /nfs/dbraw/zinc/40/15/82/1072401582.db2.gz XQKMWPSGTWUSKO-CYBMUJFWSA-N 1 2 426.495 -0.323 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442101212 1072401543 /nfs/dbraw/zinc/40/15/43/1072401543.db2.gz XQKMWPSGTWUSKO-ZDUSSCGKSA-N 1 2 426.495 -0.323 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442101212 1072401540 /nfs/dbraw/zinc/40/15/40/1072401540.db2.gz XQKMWPSGTWUSKO-ZDUSSCGKSA-N 1 2 426.495 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)ccn2)CC1 ZINC000442102208 1072401378 /nfs/dbraw/zinc/40/13/78/1072401378.db2.gz WHXXOSXZIHYFFN-CVEARBPZSA-N 1 2 430.509 -0.042 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000442102209 1072401620 /nfs/dbraw/zinc/40/16/20/1072401620.db2.gz WHXXOSXZIHYFFN-HOTGVXAUSA-N 1 2 430.509 -0.042 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)ccn2)CC1 ZINC000442102210 1072402020 /nfs/dbraw/zinc/40/20/20/1072402020.db2.gz WHXXOSXZIHYFFN-HZPDHXFCSA-N 1 2 430.509 -0.042 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000442102211 1072402053 /nfs/dbraw/zinc/40/20/53/1072402053.db2.gz WHXXOSXZIHYFFN-JKSUJKDBSA-N 1 2 430.509 -0.042 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[C@@H](C)C1 ZINC000442104400 1072402189 /nfs/dbraw/zinc/40/21/89/1072402189.db2.gz DDQAUUHHRSLUAI-HNNXBMFYSA-N 1 2 448.524 -0.024 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[C@@H](C)C1 ZINC000442104400 1072402185 /nfs/dbraw/zinc/40/21/85/1072402185.db2.gz DDQAUUHHRSLUAI-HNNXBMFYSA-N 1 2 448.524 -0.024 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[C@H](C)C1 ZINC000442104401 1072402127 /nfs/dbraw/zinc/40/21/27/1072402127.db2.gz DDQAUUHHRSLUAI-OAHLLOKOSA-N 1 2 448.524 -0.024 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[C@H](C)C1 ZINC000442104401 1072402121 /nfs/dbraw/zinc/40/21/21/1072402121.db2.gz DDQAUUHHRSLUAI-OAHLLOKOSA-N 1 2 448.524 -0.024 20 0 IBADLO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C(=O)OC ZINC000442112414 1072402788 /nfs/dbraw/zinc/40/27/88/1072402788.db2.gz QAXKBTFXRCJIKW-BFYDXBDKSA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C(=O)OC ZINC000442112416 1072402784 /nfs/dbraw/zinc/40/27/84/1072402784.db2.gz QAXKBTFXRCJIKW-INMHGKMJSA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C(=O)OC ZINC000442112418 1072402781 /nfs/dbraw/zinc/40/27/81/1072402781.db2.gz QAXKBTFXRCJIKW-UXLLHSPISA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C(=O)OC ZINC000442112420 1072402731 /nfs/dbraw/zinc/40/27/31/1072402731.db2.gz QAXKBTFXRCJIKW-ZMSDIMECSA-N 1 2 425.482 -0.880 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c2ccccc2O1 ZINC000442115044 1072403172 /nfs/dbraw/zinc/40/31/72/1072403172.db2.gz TVGBSEYRNMZWCT-PBHICJAKSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c2ccccc2O1 ZINC000442115044 1072403165 /nfs/dbraw/zinc/40/31/65/1072403165.db2.gz TVGBSEYRNMZWCT-PBHICJAKSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c2ccccc2O1 ZINC000442115046 1072403231 /nfs/dbraw/zinc/40/32/31/1072403231.db2.gz TVGBSEYRNMZWCT-RHSMWYFYSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c2ccccc2O1 ZINC000442115046 1072403229 /nfs/dbraw/zinc/40/32/29/1072403229.db2.gz TVGBSEYRNMZWCT-RHSMWYFYSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c2ccccc2O1 ZINC000442115048 1072403252 /nfs/dbraw/zinc/40/32/52/1072403252.db2.gz TVGBSEYRNMZWCT-WMLDXEAASA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c2ccccc2O1 ZINC000442115048 1072403244 /nfs/dbraw/zinc/40/32/44/1072403244.db2.gz TVGBSEYRNMZWCT-WMLDXEAASA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c2ccccc2O1 ZINC000442115051 1072403938 /nfs/dbraw/zinc/40/39/38/1072403938.db2.gz TVGBSEYRNMZWCT-YOEHRIQHSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c2ccccc2O1 ZINC000442115051 1072403933 /nfs/dbraw/zinc/40/39/33/1072403933.db2.gz TVGBSEYRNMZWCT-YOEHRIQHSA-N 1 2 432.477 -0.378 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c2)CC1 ZINC000442131899 1072404495 /nfs/dbraw/zinc/40/44/95/1072404495.db2.gz KHILCAOFJJJDKW-AOMKIAJQSA-N 1 2 442.520 -0.133 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c2)CC1 ZINC000442131901 1072404574 /nfs/dbraw/zinc/40/45/74/1072404574.db2.gz KHILCAOFJJJDKW-KSFYIVLOSA-N 1 2 442.520 -0.133 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c2)CC1 ZINC000442131903 1072404559 /nfs/dbraw/zinc/40/45/59/1072404559.db2.gz KHILCAOFJJJDKW-OPAMFIHVSA-N 1 2 442.520 -0.133 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c2)CC1 ZINC000442131906 1072404422 /nfs/dbraw/zinc/40/44/22/1072404422.db2.gz KHILCAOFJJJDKW-ZHRRBRCNSA-N 1 2 442.520 -0.133 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442272008 1072414274 /nfs/dbraw/zinc/41/42/74/1072414274.db2.gz JQTURJHBNKQPCP-IBGZPJMESA-N 1 2 445.520 -0.611 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442272010 1072414364 /nfs/dbraw/zinc/41/43/64/1072414364.db2.gz JQTURJHBNKQPCP-LJQANCHMSA-N 1 2 445.520 -0.611 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278494 1072416244 /nfs/dbraw/zinc/41/62/44/1072416244.db2.gz XECAPZMODSMDOF-IBGZPJMESA-N 1 2 431.537 -0.138 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278496 1072416256 /nfs/dbraw/zinc/41/62/56/1072416256.db2.gz XECAPZMODSMDOF-LJQANCHMSA-N 1 2 431.537 -0.138 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442287182 1072418512 /nfs/dbraw/zinc/41/85/12/1072418512.db2.gz ASIKCRMCZXVQMX-IBGZPJMESA-N 1 2 445.520 -0.611 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442287186 1072418410 /nfs/dbraw/zinc/41/84/10/1072418410.db2.gz ASIKCRMCZXVQMX-LJQANCHMSA-N 1 2 445.520 -0.611 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)CC1 ZINC000442293810 1072420042 /nfs/dbraw/zinc/42/00/42/1072420042.db2.gz OTFSPDRQGOYGKF-IBGZPJMESA-N 1 2 445.520 -0.611 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)CC1 ZINC000442293813 1072420058 /nfs/dbraw/zinc/42/00/58/1072420058.db2.gz OTFSPDRQGOYGKF-LJQANCHMSA-N 1 2 445.520 -0.611 20 0 IBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442346704 1072427604 /nfs/dbraw/zinc/42/76/04/1072427604.db2.gz IITMKOWECFCZTK-UHFFFAOYSA-N 1 2 444.539 -0.730 20 0 IBADLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442408864 1072431802 /nfs/dbraw/zinc/43/18/02/1072431802.db2.gz OTCALTZWGAOJRM-KRWDZBQOSA-N 1 2 445.524 0.104 20 0 IBADLO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442408867 1072431786 /nfs/dbraw/zinc/43/17/86/1072431786.db2.gz OTCALTZWGAOJRM-QGZVFWFLSA-N 1 2 445.524 0.104 20 0 IBADLO CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)no1 ZINC000442437078 1072433892 /nfs/dbraw/zinc/43/38/92/1072433892.db2.gz LITIDYLMATWZOC-HNNXBMFYSA-N 1 2 447.496 0.260 20 0 IBADLO CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)no1 ZINC000442437079 1072433977 /nfs/dbraw/zinc/43/39/77/1072433977.db2.gz LITIDYLMATWZOC-OAHLLOKOSA-N 1 2 447.496 0.260 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2)CC1 ZINC000442442993 1072434610 /nfs/dbraw/zinc/43/46/10/1072434610.db2.gz JBWJDRAKTNNYEE-UHFFFAOYSA-N 1 2 440.508 -0.464 20 0 IBADLO COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)C2)nn1 ZINC000442464435 1072436634 /nfs/dbraw/zinc/43/66/34/1072436634.db2.gz BHBOYQDFMHSYCO-UHFFFAOYSA-N 1 2 429.437 -0.373 20 0 IBADLO COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)C2)nn1 ZINC000442473375 1072435015 /nfs/dbraw/zinc/43/50/15/1072435015.db2.gz YUULRDFZAHOOAC-UHFFFAOYSA-N 1 2 441.492 -0.166 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)CC1 ZINC000442479757 1072439198 /nfs/dbraw/zinc/43/91/98/1072439198.db2.gz YJYQYBUOJSCJBE-UHFFFAOYSA-N 1 2 426.481 -0.854 20 0 IBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1)[NH+]1CCOCC1 ZINC000442486826 1072437979 /nfs/dbraw/zinc/43/79/79/1072437979.db2.gz ZIIMWBJFNRVJDO-CYBMUJFWSA-N 1 2 427.465 -0.208 20 0 IBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1)[NH+]1CCOCC1 ZINC000442486827 1072438083 /nfs/dbraw/zinc/43/80/83/1072438083.db2.gz ZIIMWBJFNRVJDO-ZDUSSCGKSA-N 1 2 427.465 -0.208 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(NC(=O)C4CCC4)C3)ccn2)CC1 ZINC000442538780 1072443532 /nfs/dbraw/zinc/44/35/32/1072443532.db2.gz FPJIKLPWFFJOBT-UHFFFAOYSA-N 1 2 428.493 -0.465 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442594715 1072446958 /nfs/dbraw/zinc/44/69/58/1072446958.db2.gz QXEPXZMAELBUDS-AWEZNQCLSA-N 1 2 436.481 -0.422 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442594716 1072447730 /nfs/dbraw/zinc/44/77/30/1072447730.db2.gz QXEPXZMAELBUDS-CQSZACIVSA-N 1 2 436.481 -0.422 20 0 IBADLO C[C@](O)(CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000442617134 1072447079 /nfs/dbraw/zinc/44/70/79/1072447079.db2.gz DPGZKGXGSFZYHF-KRWDZBQOSA-N 1 2 436.481 -0.375 20 0 IBADLO C[C@@](O)(CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000442617135 1072447058 /nfs/dbraw/zinc/44/70/58/1072447058.db2.gz DPGZKGXGSFZYHF-QGZVFWFLSA-N 1 2 436.481 -0.375 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000442902814 1072458533 /nfs/dbraw/zinc/45/85/33/1072458533.db2.gz OFRFZJDJEKKPLH-UHFFFAOYSA-N 1 2 432.568 -0.136 20 0 IBADLO COc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000442909487 1072457607 /nfs/dbraw/zinc/45/76/07/1072457607.db2.gz VUXKXJLPJRHGPQ-UHFFFAOYSA-N 1 2 441.535 -0.085 20 0 IBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000443011963 1072465030 /nfs/dbraw/zinc/46/50/30/1072465030.db2.gz ILIVERNVFVVMEF-KDURUIRLSA-N 1 2 444.623 -0.072 20 0 IBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H](N2CC=CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000443011963 1072465027 /nfs/dbraw/zinc/46/50/27/1072465027.db2.gz ILIVERNVFVVMEF-KDURUIRLSA-N 1 2 444.623 -0.072 20 0 IBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000443044265 1072465503 /nfs/dbraw/zinc/46/55/03/1072465503.db2.gz JOFQLPAMZCPBBL-UHFFFAOYSA-N 1 2 433.552 -0.558 20 0 IBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000443095104 1072470948 /nfs/dbraw/zinc/47/09/48/1072470948.db2.gz QKJDVJKJKVMBKK-UHFFFAOYSA-N 1 2 427.495 -0.115 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000443100957 1072469610 /nfs/dbraw/zinc/46/96/10/1072469610.db2.gz BRLVOBVBADXZQM-UHFFFAOYSA-N 1 2 427.479 -0.252 20 0 IBADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C1([NH+]2CCOCC2)CCCC1 ZINC000443109866 1072470146 /nfs/dbraw/zinc/47/01/46/1072470146.db2.gz ZVJRMTLVPKJXIL-CYBMUJFWSA-N 1 2 428.511 -0.194 20 0 IBADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C1([NH+]2CCOCC2)CCCC1 ZINC000443109868 1072470193 /nfs/dbraw/zinc/47/01/93/1072470193.db2.gz ZVJRMTLVPKJXIL-ZDUSSCGKSA-N 1 2 428.511 -0.194 20 0 IBADLO Cc1nccnc1N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000443114143 1072471639 /nfs/dbraw/zinc/47/16/39/1072471639.db2.gz VJDLXCXKMLUAJP-UHFFFAOYSA-N 1 2 428.497 -0.399 20 0 IBADLO Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000443114484 1072471660 /nfs/dbraw/zinc/47/16/60/1072471660.db2.gz WBHALJPKHGEYJU-UHFFFAOYSA-N 1 2 428.497 -0.399 20 0 IBADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000443201105 1072477264 /nfs/dbraw/zinc/47/72/64/1072477264.db2.gz HOTUZDMZQCIEFW-UHFFFAOYSA-N 1 2 447.579 -0.215 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000443205320 1072477273 /nfs/dbraw/zinc/47/72/73/1072477273.db2.gz CFAFYSFEHYWIOO-IBGZPJMESA-N 1 2 440.522 -0.173 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000443205321 1072477394 /nfs/dbraw/zinc/47/73/94/1072477394.db2.gz CFAFYSFEHYWIOO-LJQANCHMSA-N 1 2 440.522 -0.173 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C2 ZINC000443210547 1072478050 /nfs/dbraw/zinc/47/80/50/1072478050.db2.gz IINXQVVBHHCROX-UHFFFAOYSA-N 1 2 445.505 -0.418 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000443299362 1072487144 /nfs/dbraw/zinc/48/71/44/1072487144.db2.gz WXNGWKCLFPFXDZ-INIZCTEOSA-N 1 2 449.508 -0.853 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000443299363 1072487117 /nfs/dbraw/zinc/48/71/17/1072487117.db2.gz WXNGWKCLFPFXDZ-MRXNPFEDSA-N 1 2 449.508 -0.853 20 0 IBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000443310857 1072489941 /nfs/dbraw/zinc/48/99/41/1072489941.db2.gz KHJDQQHXBBXPAN-BFUOFWGJSA-N 1 2 440.522 -0.173 20 0 IBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000443310859 1072489922 /nfs/dbraw/zinc/48/99/22/1072489922.db2.gz KHJDQQHXBBXPAN-DJJJIMSYSA-N 1 2 440.522 -0.173 20 0 IBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000443310863 1072490185 /nfs/dbraw/zinc/49/01/85/1072490185.db2.gz KHJDQQHXBBXPAN-ORAYPTAESA-N 1 2 440.522 -0.173 20 0 IBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000443310866 1072490057 /nfs/dbraw/zinc/49/00/57/1072490057.db2.gz KHJDQQHXBBXPAN-YJYMSZOUSA-N 1 2 440.522 -0.173 20 0 IBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000443311887 1072490203 /nfs/dbraw/zinc/49/02/03/1072490203.db2.gz MVYSFGVOJQMOJX-INIZCTEOSA-N 1 2 447.579 -0.215 20 0 IBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000443311888 1072490154 /nfs/dbraw/zinc/49/01/54/1072490154.db2.gz MVYSFGVOJQMOJX-MRXNPFEDSA-N 1 2 447.579 -0.215 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000443321017 1072490639 /nfs/dbraw/zinc/49/06/39/1072490639.db2.gz PNGOPIRQBLVFQZ-INIZCTEOSA-N 1 2 433.509 -0.137 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000443321017 1072490633 /nfs/dbraw/zinc/49/06/33/1072490633.db2.gz PNGOPIRQBLVFQZ-INIZCTEOSA-N 1 2 433.509 -0.137 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000443321021 1072490704 /nfs/dbraw/zinc/49/07/04/1072490704.db2.gz PNGOPIRQBLVFQZ-MRXNPFEDSA-N 1 2 433.509 -0.137 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000443321021 1072490696 /nfs/dbraw/zinc/49/06/96/1072490696.db2.gz PNGOPIRQBLVFQZ-MRXNPFEDSA-N 1 2 433.509 -0.137 20 0 IBADLO O=C(NCc1cccc(N2CCC2=O)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443328440 1072491433 /nfs/dbraw/zinc/49/14/33/1072491433.db2.gz FUKDNNZNTVPQDQ-UHFFFAOYSA-N 1 2 426.477 0.207 20 0 IBADLO O=C(NCc1ccncc1OCC(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443345914 1072491876 /nfs/dbraw/zinc/49/18/76/1072491876.db2.gz SWNNLVAQWUIXKB-UHFFFAOYSA-N 1 2 438.435 0.509 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000443350063 1072493358 /nfs/dbraw/zinc/49/33/58/1072493358.db2.gz ZLVCTYTXMPFBMX-INIZCTEOSA-N 1 2 433.509 -0.137 20 0 IBADLO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000443357501 1072494723 /nfs/dbraw/zinc/49/47/23/1072494723.db2.gz ZLVCTYTXMPFBMX-MRXNPFEDSA-N 1 2 433.509 -0.137 20 0 IBADLO C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(N2CCOCC2)nc(N2C[C@@H](C(N)=O)CC[C@H]2C)[nH+]1 ZINC000443421396 1072497913 /nfs/dbraw/zinc/49/79/13/1072497913.db2.gz CQQGCSMPEUZRQX-WCVJEAGWSA-N 1 2 446.556 -0.111 20 0 IBADLO C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(N2CCOCC2)[nH+]c(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC000443421396 1072497900 /nfs/dbraw/zinc/49/79/00/1072497900.db2.gz CQQGCSMPEUZRQX-WCVJEAGWSA-N 1 2 446.556 -0.111 20 0 IBADLO COCCNc1nc(N2C[C@H](C(N)=O)CC[C@@H]2C)[nH+]c(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000443448414 1072499047 /nfs/dbraw/zinc/49/90/47/1072499047.db2.gz BFHFEHXUEZIKSN-BYNSBNAKSA-N 1 2 434.545 -0.468 20 0 IBADLO COCCNc1nc(N2C[C@H](C(N)=O)CC[C@@H]2C)nc(N2C[C@H](C(N)=O)CC[C@@H]2C)[nH+]1 ZINC000443448414 1072499035 /nfs/dbraw/zinc/49/90/35/1072499035.db2.gz BFHFEHXUEZIKSN-BYNSBNAKSA-N 1 2 434.545 -0.468 20 0 IBADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)oc1C ZINC000443469440 1072505388 /nfs/dbraw/zinc/50/53/88/1072505388.db2.gz RPAKPMAUOXGEIA-UHFFFAOYSA-N 1 2 449.599 -0.085 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443474258 1072505781 /nfs/dbraw/zinc/50/57/81/1072505781.db2.gz NEXBAZGRYNKQFL-INIZCTEOSA-N 1 2 446.599 -0.996 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443474259 1072505957 /nfs/dbraw/zinc/50/59/57/1072505957.db2.gz NEXBAZGRYNKQFL-MRXNPFEDSA-N 1 2 446.599 -0.996 20 0 IBADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443481202 1072510377 /nfs/dbraw/zinc/51/03/77/1072510377.db2.gz FLWNKSUURRDAQD-UHFFFAOYSA-N 1 2 445.611 -0.438 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443483931 1072511023 /nfs/dbraw/zinc/51/10/23/1072511023.db2.gz KVJKZDVGDIHSPN-KRWDZBQOSA-N 1 2 445.611 -0.391 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443483933 1072511121 /nfs/dbraw/zinc/51/11/21/1072511121.db2.gz KVJKZDVGDIHSPN-QGZVFWFLSA-N 1 2 445.611 -0.391 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000443505207 1072512906 /nfs/dbraw/zinc/51/29/06/1072512906.db2.gz YOGLVKSMEHMMQP-UHFFFAOYSA-N 1 2 425.555 -0.366 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000443517865 1072515092 /nfs/dbraw/zinc/51/50/92/1072515092.db2.gz FMRVJXVMUGKOHC-UHFFFAOYSA-N 1 2 449.574 -0.641 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000443529053 1072516147 /nfs/dbraw/zinc/51/61/47/1072516147.db2.gz FVLZXBDGFCZBKZ-UHFFFAOYSA-N 1 2 432.568 -0.495 20 0 IBADLO CCC(CC)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000443534190 1072516436 /nfs/dbraw/zinc/51/64/36/1072516436.db2.gz YFWKBTNUVSURCN-INIZCTEOSA-N 1 2 426.605 -0.465 20 0 IBADLO CCC(CC)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000443534192 1072516493 /nfs/dbraw/zinc/51/64/93/1072516493.db2.gz YFWKBTNUVSURCN-MRXNPFEDSA-N 1 2 426.605 -0.465 20 0 IBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443541631 1072516915 /nfs/dbraw/zinc/51/69/15/1072516915.db2.gz UARLODDFGHKLTQ-CVEARBPZSA-N 1 2 429.543 -0.693 20 0 IBADLO C[C@H](O)CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000443541632 1072517072 /nfs/dbraw/zinc/51/70/72/1072517072.db2.gz UARLODDFGHKLTQ-HOTGVXAUSA-N 1 2 429.543 -0.693 20 0 IBADLO C[C@@H](O)CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)CO ZINC000443541633 1072517029 /nfs/dbraw/zinc/51/70/29/1072517029.db2.gz UARLODDFGHKLTQ-HZPDHXFCSA-N 1 2 429.543 -0.693 20 0 IBADLO C[C@@H](O)CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000443541634 1072516903 /nfs/dbraw/zinc/51/69/03/1072516903.db2.gz UARLODDFGHKLTQ-JKSUJKDBSA-N 1 2 429.543 -0.693 20 0 IBADLO C[C@@]1(C2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)NC(=O)NC1=O ZINC000443623471 1072522064 /nfs/dbraw/zinc/52/20/64/1072522064.db2.gz KDPJDLNWKVZEIC-FQEVSTJZSA-N 1 2 430.513 -0.382 20 0 IBADLO C[C@]1(C2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)NC(=O)NC1=O ZINC000443623472 1072522261 /nfs/dbraw/zinc/52/22/61/1072522261.db2.gz KDPJDLNWKVZEIC-HXUWFJFHSA-N 1 2 430.513 -0.382 20 0 IBADLO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000443685068 1072525800 /nfs/dbraw/zinc/52/58/00/1072525800.db2.gz BMSFWMCTWAOPMF-UHFFFAOYSA-N 1 2 437.566 -0.230 20 0 IBADLO COCCOCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443712882 1072527901 /nfs/dbraw/zinc/52/79/01/1072527901.db2.gz XJATZYKWVVQEJJ-UHFFFAOYSA-N 1 2 436.556 -0.884 20 0 IBADLO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000443757508 1072543002 /nfs/dbraw/zinc/54/30/02/1072543002.db2.gz LPCAQRKNFMUUJH-UHFFFAOYSA-N 1 2 425.511 -0.437 20 0 IBADLO O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000443763158 1072542861 /nfs/dbraw/zinc/54/28/61/1072542861.db2.gz XVKUSYVGXWVVND-INIZCTEOSA-N 1 2 449.537 -0.018 20 0 IBADLO O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000443763158 1072542854 /nfs/dbraw/zinc/54/28/54/1072542854.db2.gz XVKUSYVGXWVVND-INIZCTEOSA-N 1 2 449.537 -0.018 20 0 IBADLO O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000443763159 1072543426 /nfs/dbraw/zinc/54/34/26/1072543426.db2.gz XVKUSYVGXWVVND-MRXNPFEDSA-N 1 2 449.537 -0.018 20 0 IBADLO O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000443763159 1072543408 /nfs/dbraw/zinc/54/34/08/1072543408.db2.gz XVKUSYVGXWVVND-MRXNPFEDSA-N 1 2 449.537 -0.018 20 0 IBADLO COCCOCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000443781360 1072550140 /nfs/dbraw/zinc/55/01/40/1072550140.db2.gz NVHQYGCVEGTRHM-INIZCTEOSA-N 1 2 429.543 -0.136 20 0 IBADLO COCCOCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000443781360 1072550133 /nfs/dbraw/zinc/55/01/33/1072550133.db2.gz NVHQYGCVEGTRHM-INIZCTEOSA-N 1 2 429.543 -0.136 20 0 IBADLO COCCOCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000443781361 1072550115 /nfs/dbraw/zinc/55/01/15/1072550115.db2.gz NVHQYGCVEGTRHM-MRXNPFEDSA-N 1 2 429.543 -0.136 20 0 IBADLO COCCOCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000443781361 1072550105 /nfs/dbraw/zinc/55/01/05/1072550105.db2.gz NVHQYGCVEGTRHM-MRXNPFEDSA-N 1 2 429.543 -0.136 20 0 IBADLO O=C(NCCCNC(=O)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443815569 1072554829 /nfs/dbraw/zinc/55/48/29/1072554829.db2.gz JMLVHNNDTWBOTH-UHFFFAOYSA-N 1 2 428.493 0.090 20 0 IBADLO CCC(CC)(CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC ZINC000443865721 1072557836 /nfs/dbraw/zinc/55/78/36/1072557836.db2.gz DZLIUMMCLIOALI-UHFFFAOYSA-N 1 2 433.575 -0.215 20 0 IBADLO CCOC1CC(CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)([NH+]2CCOCC2)C1 ZINC000443866911 1072557792 /nfs/dbraw/zinc/55/77/92/1072557792.db2.gz HVHOTKVBXIPWRJ-UHFFFAOYSA-N 1 2 433.509 -0.575 20 0 IBADLO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000443899941 1072559266 /nfs/dbraw/zinc/55/92/66/1072559266.db2.gz VKLQRNMIUBVRDM-AWEZNQCLSA-N 1 2 440.522 -0.510 20 0 IBADLO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000443899943 1072559200 /nfs/dbraw/zinc/55/92/00/1072559200.db2.gz VKLQRNMIUBVRDM-CQSZACIVSA-N 1 2 440.522 -0.510 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000443923631 1072559730 /nfs/dbraw/zinc/55/97/30/1072559730.db2.gz IQBVJEOQWAPSJM-GOSISDBHSA-N 1 2 449.556 -0.388 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000443923634 1072559845 /nfs/dbraw/zinc/55/98/45/1072559845.db2.gz IQBVJEOQWAPSJM-SFHVURJKSA-N 1 2 449.556 -0.388 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000443936513 1072560076 /nfs/dbraw/zinc/56/00/76/1072560076.db2.gz PKZZBJAVSJOUQY-GOSISDBHSA-N 1 2 449.556 -0.388 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000443936515 1072560334 /nfs/dbraw/zinc/56/03/34/1072560334.db2.gz PKZZBJAVSJOUQY-SFHVURJKSA-N 1 2 449.556 -0.388 20 0 IBADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443939503 1072561407 /nfs/dbraw/zinc/56/14/07/1072561407.db2.gz QYYYKGPBWYFQMM-AWEZNQCLSA-N 1 2 443.551 0.233 20 0 IBADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443939504 1072561326 /nfs/dbraw/zinc/56/13/26/1072561326.db2.gz QYYYKGPBWYFQMM-CQSZACIVSA-N 1 2 443.551 0.233 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444008814 1072564809 /nfs/dbraw/zinc/56/48/09/1072564809.db2.gz IEAXMTKYCAQIMZ-KYJSFNMBSA-N 1 2 428.530 -0.298 20 0 IBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444008815 1072564729 /nfs/dbraw/zinc/56/47/29/1072564729.db2.gz IEAXMTKYCAQIMZ-LESCRADOSA-N 1 2 428.530 -0.298 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000444053553 1072570509 /nfs/dbraw/zinc/57/05/09/1072570509.db2.gz BRUFAIPJKQKAKX-UHFFFAOYSA-N 1 2 430.552 -0.384 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000444070541 1072572773 /nfs/dbraw/zinc/57/27/73/1072572773.db2.gz JUMAANKXUFNRDG-UHFFFAOYSA-N 1 2 444.579 -0.042 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1nc(N2CCC[C@H]2CS(=O)(=O)NC)[nH+]cc1C ZINC000444072785 1072573124 /nfs/dbraw/zinc/57/31/24/1072573124.db2.gz OUDKJZRALDCAEX-CABCVRRESA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1c1nc(N2CCC[C@H]2CS(=O)(=O)NC)c(C)c[nH+]1 ZINC000444072791 1072573094 /nfs/dbraw/zinc/57/30/94/1072573094.db2.gz OUDKJZRALDCAEX-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1nc(N2CCC[C@@H]2CS(=O)(=O)NC)c(C)c[nH+]1 ZINC000444072793 1072573213 /nfs/dbraw/zinc/57/32/13/1072573213.db2.gz OUDKJZRALDCAEX-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1nc(N2CCC[C@H]2CS(=O)(=O)NC)c(C)c[nH+]1 ZINC000444072795 1072573279 /nfs/dbraw/zinc/57/32/79/1072573279.db2.gz OUDKJZRALDCAEX-LSDHHAIUSA-N 1 2 446.599 -0.179 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444074451 1072573187 /nfs/dbraw/zinc/57/31/87/1072573187.db2.gz RZBQOHBGTSSJDK-UHFFFAOYSA-N 1 2 432.568 -0.232 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000444087150 1072575159 /nfs/dbraw/zinc/57/51/59/1072575159.db2.gz ROTZSVWTRCKOJH-UHFFFAOYSA-N 1 2 444.579 -0.088 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444088892 1072575256 /nfs/dbraw/zinc/57/52/56/1072575256.db2.gz WAMFBWJGZYAMAC-UHFFFAOYSA-N 1 2 432.568 -0.279 20 0 IBADLO COc1nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ncc1Br ZINC000444110991 1072576881 /nfs/dbraw/zinc/57/68/81/1072576881.db2.gz LRFJVZFKJGULEG-UHFFFAOYSA-N 1 2 435.348 -0.138 20 0 IBADLO CCOC1CC(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)([NH+]2CCOCC2)C1 ZINC000444124118 1072577644 /nfs/dbraw/zinc/57/76/44/1072577644.db2.gz GJBJBTHRBARZOB-UHFFFAOYSA-N 1 2 445.542 -0.337 20 0 IBADLO CCOC1CC(CNC(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)([NH+]2CCOCC2)C1 ZINC000444149343 1072578636 /nfs/dbraw/zinc/57/86/36/1072578636.db2.gz ZRIQPNWUNYQFTP-LFDOHDQPSA-N 1 2 426.514 -0.281 20 0 IBADLO CCOC1CC(CNC(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)([NH+]2CCOCC2)C1 ZINC000444149344 1072578697 /nfs/dbraw/zinc/57/86/97/1072578697.db2.gz ZRIQPNWUNYQFTP-NGEICVOHSA-N 1 2 426.514 -0.281 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)([NH+]2CCOCC2)C1 ZINC000444151259 1072578542 /nfs/dbraw/zinc/57/85/42/1072578542.db2.gz KADTWWHCVWHQHI-UHFFFAOYSA-N 1 2 437.541 -0.611 20 0 IBADLO CCOC1CC(CNC(=O)NCCNS(=O)(=O)c2cccnc2)([NH+]2CCOCC2)C1 ZINC000444151670 1072578577 /nfs/dbraw/zinc/57/85/77/1072578577.db2.gz KZGSFMYJFBUEQA-UHFFFAOYSA-N 1 2 441.554 -0.071 20 0 IBADLO CCOC1CC(CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)([NH+]2CCOCC2)C1 ZINC000444151941 1072578683 /nfs/dbraw/zinc/57/86/83/1072578683.db2.gz HNXPGHLBAAZGKL-UHFFFAOYSA-N 1 2 439.557 -0.364 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)([NH+]2CCOCC2)C1 ZINC000444165567 1072579902 /nfs/dbraw/zinc/57/99/02/1072579902.db2.gz IGEQELDLHKRKLZ-UHFFFAOYSA-N 1 2 439.557 -0.365 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)([NH+]2CCOCC2)C1 ZINC000444169159 1072581397 /nfs/dbraw/zinc/58/13/97/1072581397.db2.gz OWDPBWCTONLHBD-UHFFFAOYSA-N 1 2 434.541 -0.118 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(Cc3ccon3)CC2)CC1 ZINC000444174149 1072581515 /nfs/dbraw/zinc/58/15/15/1072581515.db2.gz WFGABDNKCUALAY-UHFFFAOYSA-N 1 2 425.497 -0.182 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246471 1072587682 /nfs/dbraw/zinc/58/76/82/1072587682.db2.gz ZNBKEKBMLGWZPA-NUJGCVRESA-N 1 2 445.513 -0.899 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246473 1072587664 /nfs/dbraw/zinc/58/76/64/1072587664.db2.gz ZNBKEKBMLGWZPA-RYRKJORJSA-N 1 2 445.513 -0.899 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246867 1072587717 /nfs/dbraw/zinc/58/77/17/1072587717.db2.gz MJTHLNQKANKGSQ-KBMXLJTQSA-N 1 2 440.453 -0.427 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246867 1072587713 /nfs/dbraw/zinc/58/77/13/1072587713.db2.gz MJTHLNQKANKGSQ-KBMXLJTQSA-N 1 2 440.453 -0.427 20 0 IBADLO NC(=O)c1ncn([C@H]2CCCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)n1 ZINC000444258405 1072587582 /nfs/dbraw/zinc/58/75/82/1072587582.db2.gz GZRWKZHPOQFMPT-HNNXBMFYSA-N 1 2 428.501 -0.664 20 0 IBADLO NC(=O)c1ncn([C@@H]2CCCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)n1 ZINC000444258406 1072587727 /nfs/dbraw/zinc/58/77/27/1072587727.db2.gz GZRWKZHPOQFMPT-OAHLLOKOSA-N 1 2 428.501 -0.664 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000444340741 1072605719 /nfs/dbraw/zinc/60/57/19/1072605719.db2.gz IDJSSPDNFLDZPS-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444388955 1072619762 /nfs/dbraw/zinc/61/97/62/1072619762.db2.gz NABLMZKVZYKWBQ-OAHLLOKOSA-N 1 2 427.523 -0.145 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444400675 1071009398 /nfs/dbraw/zinc/00/93/98/1071009398.db2.gz SZRSFWJFGJFICT-HNNXBMFYSA-N 1 2 426.539 -0.762 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444400675 1071009378 /nfs/dbraw/zinc/00/93/78/1071009378.db2.gz SZRSFWJFGJFICT-HNNXBMFYSA-N 1 2 426.539 -0.762 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444400676 1071009477 /nfs/dbraw/zinc/00/94/77/1071009477.db2.gz SZRSFWJFGJFICT-OAHLLOKOSA-N 1 2 426.539 -0.762 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444400676 1071009458 /nfs/dbraw/zinc/00/94/58/1071009458.db2.gz SZRSFWJFGJFICT-OAHLLOKOSA-N 1 2 426.539 -0.762 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000444415569 1072623157 /nfs/dbraw/zinc/62/31/57/1072623157.db2.gz KDZVQGYXIMAWRX-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000444453783 1072633623 /nfs/dbraw/zinc/63/36/23/1072633623.db2.gz KFGJNAZMIVHPSD-UHFFFAOYSA-N 1 2 426.539 -0.130 20 0 IBADLO COCCCn1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000444502079 1072637575 /nfs/dbraw/zinc/63/75/75/1072637575.db2.gz MNUGWWKZIBRHFJ-UHFFFAOYSA-N 1 2 427.469 -0.116 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000444502281 1072637441 /nfs/dbraw/zinc/63/74/41/1072637441.db2.gz NTEVSVIZWYAHDG-UHFFFAOYSA-N 1 2 433.436 -0.374 20 0 IBADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000444503262 1073321273 /nfs/dbraw/zinc/32/12/73/1073321273.db2.gz CASGDXMFTCKKMR-UHFFFAOYSA-N 1 2 442.524 0.480 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1)N1CCCC1 ZINC000444505777 1072638249 /nfs/dbraw/zinc/63/82/49/1072638249.db2.gz FBSQXBJGFHMTNN-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1)N1CCCC1 ZINC000444505777 1072638246 /nfs/dbraw/zinc/63/82/46/1072638246.db2.gz FBSQXBJGFHMTNN-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000444570973 1072644178 /nfs/dbraw/zinc/64/41/78/1072644178.db2.gz NYTPRTLJDMRQSQ-UHFFFAOYSA-N 1 2 449.475 -0.149 20 0 IBADLO COCCCn1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000444571131 1072644450 /nfs/dbraw/zinc/64/44/50/1072644450.db2.gz OVPYXTAVDCFRPJ-UHFFFAOYSA-N 1 2 443.508 0.108 20 0 IBADLO COCCn1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000444573377 1072644375 /nfs/dbraw/zinc/64/43/75/1072644375.db2.gz TVTGFJHLLHFQSV-UHFFFAOYSA-N 1 2 429.481 -0.282 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1ccn(CC(F)F)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000444573981 1072644273 /nfs/dbraw/zinc/64/42/73/1072644273.db2.gz UVAAXWBZDJOGMQ-UHFFFAOYSA-N 1 2 435.435 0.337 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000444574377 1072644948 /nfs/dbraw/zinc/64/49/48/1072644948.db2.gz VKEXFJKTJKKWKL-INIZCTEOSA-N 1 2 442.524 -0.368 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000444574378 1072645023 /nfs/dbraw/zinc/64/50/23/1072645023.db2.gz VKEXFJKTJKKWKL-MRXNPFEDSA-N 1 2 442.524 -0.368 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000444590179 1072645511 /nfs/dbraw/zinc/64/55/11/1072645511.db2.gz DNOPKRZTQPWTRF-UHFFFAOYSA-N 1 2 445.499 -0.013 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000444592327 1073303255 /nfs/dbraw/zinc/30/32/55/1073303255.db2.gz IMSIHPZTJFPAIG-KRWDZBQOSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000444592327 1073303247 /nfs/dbraw/zinc/30/32/47/1073303247.db2.gz IMSIHPZTJFPAIG-KRWDZBQOSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000444592332 1072645531 /nfs/dbraw/zinc/64/55/31/1072645531.db2.gz IMSIHPZTJFPAIG-QGZVFWFLSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000444592332 1072645524 /nfs/dbraw/zinc/64/55/24/1072645524.db2.gz IMSIHPZTJFPAIG-QGZVFWFLSA-N 1 2 428.493 -0.073 20 0 IBADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000444604578 1072647189 /nfs/dbraw/zinc/64/71/89/1072647189.db2.gz BGGBMGDUHZZLDM-KRWDZBQOSA-N 1 2 438.550 -0.228 20 0 IBADLO CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000444604580 1072647415 /nfs/dbraw/zinc/64/74/15/1072647415.db2.gz BGGBMGDUHZZLDM-QGZVFWFLSA-N 1 2 438.550 -0.228 20 0 IBADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000444612624 1072647949 /nfs/dbraw/zinc/64/79/49/1072647949.db2.gz UNTPDALXFNUBRS-KRWDZBQOSA-N 1 2 433.509 -0.500 20 0 IBADLO CCOC(=O)CNC(=O)[C@H]1COCCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000444612625 1072648055 /nfs/dbraw/zinc/64/80/55/1072648055.db2.gz UNTPDALXFNUBRS-QGZVFWFLSA-N 1 2 433.509 -0.500 20 0 IBADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444614492 1072648543 /nfs/dbraw/zinc/64/85/43/1072648543.db2.gz YQVAXWKJJIFZSR-KRWDZBQOSA-N 1 2 438.550 -0.228 20 0 IBADLO CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444614493 1072648621 /nfs/dbraw/zinc/64/86/21/1072648621.db2.gz YQVAXWKJJIFZSR-QGZVFWFLSA-N 1 2 438.550 -0.228 20 0 IBADLO Cn1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000444650626 1072649816 /nfs/dbraw/zinc/64/98/16/1072649816.db2.gz CQMOLSUQKVPGHE-UHFFFAOYSA-N 1 2 427.465 -0.701 20 0 IBADLO Cn1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1=O ZINC000444650626 1072649811 /nfs/dbraw/zinc/64/98/11/1072649811.db2.gz CQMOLSUQKVPGHE-UHFFFAOYSA-N 1 2 427.465 -0.701 20 0 IBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444672433 1072651445 /nfs/dbraw/zinc/65/14/45/1072651445.db2.gz KXHQOGJKDNHDRI-FGTMMUONSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444672433 1072651440 /nfs/dbraw/zinc/65/14/40/1072651440.db2.gz KXHQOGJKDNHDRI-FGTMMUONSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444672434 1072651643 /nfs/dbraw/zinc/65/16/43/1072651643.db2.gz KXHQOGJKDNHDRI-KURKYZTESA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444672434 1072651636 /nfs/dbraw/zinc/65/16/36/1072651636.db2.gz KXHQOGJKDNHDRI-KURKYZTESA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444672435 1072651697 /nfs/dbraw/zinc/65/16/97/1072651697.db2.gz KXHQOGJKDNHDRI-KZNAEPCWSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444672435 1072651692 /nfs/dbraw/zinc/65/16/92/1072651692.db2.gz KXHQOGJKDNHDRI-KZNAEPCWSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444672436 1072652139 /nfs/dbraw/zinc/65/21/39/1072652139.db2.gz KXHQOGJKDNHDRI-SQNIBIBYSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444672436 1072652133 /nfs/dbraw/zinc/65/21/33/1072652133.db2.gz KXHQOGJKDNHDRI-SQNIBIBYSA-N 1 2 431.599 -0.042 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000444682274 1072652111 /nfs/dbraw/zinc/65/21/11/1072652111.db2.gz SQAWIFVXEJSGQA-UHFFFAOYSA-N 1 2 426.525 -0.044 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000444682274 1072652106 /nfs/dbraw/zinc/65/21/06/1072652106.db2.gz SQAWIFVXEJSGQA-UHFFFAOYSA-N 1 2 426.525 -0.044 20 0 IBADLO CC(C)CN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444695924 1072652794 /nfs/dbraw/zinc/65/27/94/1072652794.db2.gz UKBOBOLLTRXDGZ-HOTGVXAUSA-N 1 2 431.493 -0.394 20 0 IBADLO CC(C)CN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444695926 1072652808 /nfs/dbraw/zinc/65/28/08/1072652808.db2.gz UKBOBOLLTRXDGZ-HZPDHXFCSA-N 1 2 431.493 -0.394 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444695927 1072652918 /nfs/dbraw/zinc/65/29/18/1072652918.db2.gz UKBOBOLLTRXDGZ-IYBDPMFKSA-N 1 2 431.493 -0.394 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444695927 1072652915 /nfs/dbraw/zinc/65/29/15/1072652915.db2.gz UKBOBOLLTRXDGZ-IYBDPMFKSA-N 1 2 431.493 -0.394 20 0 IBADLO CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444699964 1072653552 /nfs/dbraw/zinc/65/35/52/1072653552.db2.gz FLCUFBSRXWQZCL-HOTGVXAUSA-N 1 2 431.493 -0.098 20 0 IBADLO CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c(=O)[nH]c1=O ZINC000444699966 1072653489 /nfs/dbraw/zinc/65/34/89/1072653489.db2.gz FLCUFBSRXWQZCL-HZPDHXFCSA-N 1 2 431.493 -0.098 20 0 IBADLO CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444699967 1072653523 /nfs/dbraw/zinc/65/35/23/1072653523.db2.gz FLCUFBSRXWQZCL-IYBDPMFKSA-N 1 2 431.493 -0.098 20 0 IBADLO CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444699967 1072653518 /nfs/dbraw/zinc/65/35/18/1072653518.db2.gz FLCUFBSRXWQZCL-IYBDPMFKSA-N 1 2 431.493 -0.098 20 0 IBADLO CCCCN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444701627 1072653390 /nfs/dbraw/zinc/65/33/90/1072653390.db2.gz HXBLYYFQECRBIH-HOTGVXAUSA-N 1 2 431.493 -0.250 20 0 IBADLO CCCCN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444701628 1072653558 /nfs/dbraw/zinc/65/35/58/1072653558.db2.gz HXBLYYFQECRBIH-HZPDHXFCSA-N 1 2 431.493 -0.250 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444701629 1072653417 /nfs/dbraw/zinc/65/34/17/1072653417.db2.gz HXBLYYFQECRBIH-IYBDPMFKSA-N 1 2 431.493 -0.250 20 0 IBADLO CCCCN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444701629 1072653411 /nfs/dbraw/zinc/65/34/11/1072653411.db2.gz HXBLYYFQECRBIH-IYBDPMFKSA-N 1 2 431.493 -0.250 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000444755999 1072656743 /nfs/dbraw/zinc/65/67/43/1072656743.db2.gz AAWGYARBCVJDLC-FGTMMUONSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000444755999 1072656737 /nfs/dbraw/zinc/65/67/37/1072656737.db2.gz AAWGYARBCVJDLC-FGTMMUONSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000444756000 1072656772 /nfs/dbraw/zinc/65/67/72/1072656772.db2.gz AAWGYARBCVJDLC-KURKYZTESA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000444756000 1072656767 /nfs/dbraw/zinc/65/67/67/1072656767.db2.gz AAWGYARBCVJDLC-KURKYZTESA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000444756001 1072657562 /nfs/dbraw/zinc/65/75/62/1072657562.db2.gz AAWGYARBCVJDLC-KZNAEPCWSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000444756001 1072657555 /nfs/dbraw/zinc/65/75/55/1072657555.db2.gz AAWGYARBCVJDLC-KZNAEPCWSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000444756002 1072657376 /nfs/dbraw/zinc/65/73/76/1072657376.db2.gz AAWGYARBCVJDLC-SQNIBIBYSA-N 1 2 431.599 -0.042 20 0 IBADLO C[C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000444756002 1072657369 /nfs/dbraw/zinc/65/73/69/1072657369.db2.gz AAWGYARBCVJDLC-SQNIBIBYSA-N 1 2 431.599 -0.042 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000444799145 1072659198 /nfs/dbraw/zinc/65/91/98/1072659198.db2.gz RWKPHRKIKYOJFY-HNNXBMFYSA-N 1 2 435.554 -0.089 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000444799148 1072658834 /nfs/dbraw/zinc/65/88/34/1072658834.db2.gz RWKPHRKIKYOJFY-OAHLLOKOSA-N 1 2 435.554 -0.089 20 0 IBADLO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000444809982 1072659098 /nfs/dbraw/zinc/65/90/98/1072659098.db2.gz BDTBWDDCQOYSSL-JTQLQIEISA-N 1 2 433.469 -0.588 20 0 IBADLO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000444809987 1072659169 /nfs/dbraw/zinc/65/91/69/1072659169.db2.gz BDTBWDDCQOYSSL-SNVBAGLBSA-N 1 2 433.469 -0.588 20 0 IBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000444811958 1072659693 /nfs/dbraw/zinc/65/96/93/1072659693.db2.gz JTKGFRQLJMORGL-UHFFFAOYSA-N 1 2 430.531 -0.442 20 0 IBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000444820573 1072658935 /nfs/dbraw/zinc/65/89/35/1072658935.db2.gz WBJXFUVUMZOZIY-UHFFFAOYSA-N 1 2 435.529 -0.607 20 0 IBADLO COC1(CO)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000444846106 1072661002 /nfs/dbraw/zinc/66/10/02/1072661002.db2.gz GUALOYWGXXWFEN-UHFFFAOYSA-N 1 2 441.554 -0.284 20 0 IBADLO CCOC1CC(O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000444848574 1072660431 /nfs/dbraw/zinc/66/04/31/1072660431.db2.gz LCMXMMMEMSIALG-UHFFFAOYSA-N 1 2 441.554 -0.237 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000444985861 1072664487 /nfs/dbraw/zinc/66/44/87/1072664487.db2.gz MABVXJYANGJGSS-CABCVRRESA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000444985861 1072664482 /nfs/dbraw/zinc/66/44/82/1072664482.db2.gz MABVXJYANGJGSS-CABCVRRESA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000444985862 1072664467 /nfs/dbraw/zinc/66/44/67/1072664467.db2.gz MABVXJYANGJGSS-GJZGRUSLSA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000444985862 1072664461 /nfs/dbraw/zinc/66/44/61/1072664461.db2.gz MABVXJYANGJGSS-GJZGRUSLSA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000444985863 1072664632 /nfs/dbraw/zinc/66/46/32/1072664632.db2.gz MABVXJYANGJGSS-HUUCEWRRSA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000444985863 1072664629 /nfs/dbraw/zinc/66/46/29/1072664629.db2.gz MABVXJYANGJGSS-HUUCEWRRSA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000444985864 1072664544 /nfs/dbraw/zinc/66/45/44/1072664544.db2.gz MABVXJYANGJGSS-LSDHHAIUSA-N 1 2 439.542 -0.646 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000444985864 1072664541 /nfs/dbraw/zinc/66/45/41/1072664541.db2.gz MABVXJYANGJGSS-LSDHHAIUSA-N 1 2 439.542 -0.646 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)c2)CC1 ZINC000445016260 1072665159 /nfs/dbraw/zinc/66/51/59/1072665159.db2.gz DTFSPAGFQDFNSZ-UHFFFAOYSA-N 1 2 445.520 -0.346 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000445024577 1072666733 /nfs/dbraw/zinc/66/67/33/1072666733.db2.gz WBUQSZZSEWZFSA-UHFFFAOYSA-N 1 2 445.520 -0.346 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)CC1 ZINC000445028130 1072666549 /nfs/dbraw/zinc/66/65/49/1072666549.db2.gz AQUAIFJFSFPBPN-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCCNS(C)(=O)=O)CC1 ZINC000445046340 1072667810 /nfs/dbraw/zinc/66/78/10/1072667810.db2.gz FSRWKICTRAMSOX-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445052972 1072666515 /nfs/dbraw/zinc/66/65/15/1072666515.db2.gz IOYJBGHHCWOAMK-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445059413 1072667157 /nfs/dbraw/zinc/66/71/57/1072667157.db2.gz ZXGONUWRQXCJSY-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000445064761 1072668845 /nfs/dbraw/zinc/66/88/45/1072668845.db2.gz IUKGIIDCNNGRTL-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000445065278 1072667729 /nfs/dbraw/zinc/66/77/29/1072667729.db2.gz MHFPCGGFIKJJJG-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1 ZINC000445065721 1072668945 /nfs/dbraw/zinc/66/89/45/1072668945.db2.gz MGMNYMFUMJEWBC-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445075720 1072670285 /nfs/dbraw/zinc/67/02/85/1072670285.db2.gz DFKYJGQJDZSRAG-GOSISDBHSA-N 1 2 432.477 -0.310 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445075721 1072670249 /nfs/dbraw/zinc/67/02/49/1072670249.db2.gz DFKYJGQJDZSRAG-SFHVURJKSA-N 1 2 432.477 -0.310 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNc3cnccn3)c2)CC1 ZINC000445079253 1073306750 /nfs/dbraw/zinc/30/67/50/1073306750.db2.gz VWNABANKIAFPMM-UHFFFAOYSA-N 1 2 425.493 0.308 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445080456 1072668318 /nfs/dbraw/zinc/66/83/18/1072668318.db2.gz MRZCJRLOGHCFJT-GOSISDBHSA-N 1 2 432.477 -0.310 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445080459 1072668267 /nfs/dbraw/zinc/66/82/67/1072668267.db2.gz MRZCJRLOGHCFJT-SFHVURJKSA-N 1 2 432.477 -0.310 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000445087015 1072670775 /nfs/dbraw/zinc/67/07/75/1072670775.db2.gz FUPVTOBARICWTN-UHFFFAOYSA-N 1 2 429.477 -0.446 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000445087476 1072670901 /nfs/dbraw/zinc/67/09/01/1072670901.db2.gz FXIXMKKYUCWQCY-UHFFFAOYSA-N 1 2 443.504 -0.056 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)c2)CC1 ZINC000445094130 1072671351 /nfs/dbraw/zinc/67/13/51/1072671351.db2.gz RFQPWSJBVJYTAT-UHFFFAOYSA-N 1 2 429.477 -0.446 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCN3C(=O)CCC3=O)c2)CC1 ZINC000445097398 1072671374 /nfs/dbraw/zinc/67/13/74/1072671374.db2.gz YXFVZXSOTCADNB-UHFFFAOYSA-N 1 2 443.504 -0.056 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445099140 1072671330 /nfs/dbraw/zinc/67/13/30/1072671330.db2.gz GCOAXIYLDUKQRX-FQEVSTJZSA-N 1 2 445.520 -0.347 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445099141 1072671393 /nfs/dbraw/zinc/67/13/93/1072671393.db2.gz GCOAXIYLDUKQRX-HXUWFJFHSA-N 1 2 445.520 -0.347 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000445100280 1072672055 /nfs/dbraw/zinc/67/20/55/1072672055.db2.gz AMMATTOITDJISI-GOSISDBHSA-N 1 2 430.509 -0.181 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000445100281 1072672164 /nfs/dbraw/zinc/67/21/64/1072672164.db2.gz AMMATTOITDJISI-SFHVURJKSA-N 1 2 430.509 -0.181 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2)CC1 ZINC000445101947 1072672096 /nfs/dbraw/zinc/67/20/96/1072672096.db2.gz CTXXGIQWOOASKS-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000445102178 1072671976 /nfs/dbraw/zinc/67/19/76/1072671976.db2.gz BMAALBJQQWASDB-KDOFPFPSSA-N 1 2 431.493 -0.610 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000445102181 1072672024 /nfs/dbraw/zinc/67/20/24/1072672024.db2.gz BMAALBJQQWASDB-RDTXWAMCSA-N 1 2 431.493 -0.610 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000445102655 1072670259 /nfs/dbraw/zinc/67/02/59/1072670259.db2.gz DQYBPGJKHJCWKJ-KRWDZBQOSA-N 1 2 430.509 -0.181 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000445102656 1072670149 /nfs/dbraw/zinc/67/01/49/1072670149.db2.gz DQYBPGJKHJCWKJ-QGZVFWFLSA-N 1 2 430.509 -0.181 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000445103497 1072670169 /nfs/dbraw/zinc/67/01/69/1072670169.db2.gz GDQYQMFOTCEMTF-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000445103497 1072670166 /nfs/dbraw/zinc/67/01/66/1072670166.db2.gz GDQYQMFOTCEMTF-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000445103498 1072670215 /nfs/dbraw/zinc/67/02/15/1072670215.db2.gz GDQYQMFOTCEMTF-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000445103498 1072670211 /nfs/dbraw/zinc/67/02/11/1072670211.db2.gz GDQYQMFOTCEMTF-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000445103542 1072672157 /nfs/dbraw/zinc/67/21/57/1072672157.db2.gz AERLLXPUOJCBBX-UHFFFAOYSA-N 1 2 446.504 -0.184 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)c2)CC1 ZINC000445104276 1072670199 /nfs/dbraw/zinc/67/01/99/1072670199.db2.gz DQQJCOUIGLDRDY-KDOFPFPSSA-N 1 2 431.493 -0.610 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)c2)CC1 ZINC000445104277 1072670982 /nfs/dbraw/zinc/67/09/82/1072670982.db2.gz DQQJCOUIGLDRDY-RDTXWAMCSA-N 1 2 431.493 -0.610 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445105804 1072670751 /nfs/dbraw/zinc/67/07/51/1072670751.db2.gz SLXRMPIHLWQWRK-IBGZPJMESA-N 1 2 445.520 -0.347 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445105805 1072670996 /nfs/dbraw/zinc/67/09/96/1072670996.db2.gz SLXRMPIHLWQWRK-LJQANCHMSA-N 1 2 445.520 -0.347 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)CC1 ZINC000445106473 1072670871 /nfs/dbraw/zinc/67/08/71/1072670871.db2.gz DYCDVBSHBPGPQK-UHFFFAOYSA-N 1 2 445.520 -0.395 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000445109224 1072672765 /nfs/dbraw/zinc/67/27/65/1072672765.db2.gz KPLXUSABNMTCGP-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c2)CC1 ZINC000445109924 1072672822 /nfs/dbraw/zinc/67/28/22/1072672822.db2.gz JZKRSJXGHVQTGM-UHFFFAOYSA-N 1 2 431.493 -0.736 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000445110450 1072672831 /nfs/dbraw/zinc/67/28/31/1072672831.db2.gz ACAJNOZVQSRRRH-INIZCTEOSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)c2)CC1 ZINC000445110458 1072672838 /nfs/dbraw/zinc/67/28/38/1072672838.db2.gz ACAJNOZVQSRRRH-MRXNPFEDSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCNc2cnccn2)CC1 ZINC000445110929 1073306802 /nfs/dbraw/zinc/30/68/02/1073306802.db2.gz MBLWRBLGYRVQDR-UHFFFAOYSA-N 1 2 425.493 0.308 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)c2)CC1 ZINC000445113243 1072672794 /nfs/dbraw/zinc/67/27/94/1072672794.db2.gz NJROZCFJPHMJHR-UHFFFAOYSA-N 1 2 441.492 -0.442 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C(C)C)C3=O)c2)CC1 ZINC000445117127 1072672774 /nfs/dbraw/zinc/67/27/74/1072672774.db2.gz PTKRHEOAXVXGDH-GOSISDBHSA-N 1 2 443.504 -0.059 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C(C)C)C3=O)c2)CC1 ZINC000445117131 1072672847 /nfs/dbraw/zinc/67/28/47/1072672847.db2.gz PTKRHEOAXVXGDH-SFHVURJKSA-N 1 2 443.504 -0.059 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000445117563 1072672704 /nfs/dbraw/zinc/67/27/04/1072672704.db2.gz SBHDWTJCRGPPCU-UHFFFAOYSA-N 1 2 431.493 -0.736 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000445118047 1072673334 /nfs/dbraw/zinc/67/33/34/1072673334.db2.gz TUDJGSXMFBNOQQ-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000445118047 1072673326 /nfs/dbraw/zinc/67/33/26/1072673326.db2.gz TUDJGSXMFBNOQQ-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000445118048 1072673420 /nfs/dbraw/zinc/67/34/20/1072673420.db2.gz TUDJGSXMFBNOQQ-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000445118048 1072673415 /nfs/dbraw/zinc/67/34/15/1072673415.db2.gz TUDJGSXMFBNOQQ-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000445119471 1072673290 /nfs/dbraw/zinc/67/32/90/1072673290.db2.gz VAUVCBJMNFEXIH-UHFFFAOYSA-N 1 2 441.492 -0.442 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000445120474 1072673378 /nfs/dbraw/zinc/67/33/78/1072673378.db2.gz NKTPVOGBMCOZER-INIZCTEOSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC000445120475 1072673250 /nfs/dbraw/zinc/67/32/50/1072673250.db2.gz NKTPVOGBMCOZER-MRXNPFEDSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000445122076 1072673981 /nfs/dbraw/zinc/67/39/81/1072673981.db2.gz WOWSOSWAKHHEMQ-GOSISDBHSA-N 1 2 443.504 -0.059 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000445122077 1072674014 /nfs/dbraw/zinc/67/40/14/1072674014.db2.gz WOWSOSWAKHHEMQ-SFHVURJKSA-N 1 2 443.504 -0.059 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445125869 1072672128 /nfs/dbraw/zinc/67/21/28/1072672128.db2.gz NXEIZGPXVDZNLC-GOSISDBHSA-N 1 2 431.493 -0.737 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC000445125870 1072672120 /nfs/dbraw/zinc/67/21/20/1072672120.db2.gz NXEIZGPXVDZNLC-SFHVURJKSA-N 1 2 431.493 -0.737 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(OCC(=O)N(C)C)C3)c2)CC1 ZINC000445125900 1072672151 /nfs/dbraw/zinc/67/21/51/1072672151.db2.gz OEMCBYFNJOPWPI-UHFFFAOYSA-N 1 2 445.520 -0.395 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445126137 1072672172 /nfs/dbraw/zinc/67/21/72/1072672172.db2.gz PJUCXOZIOPCTLU-GOSISDBHSA-N 1 2 431.493 -0.737 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCO1 ZINC000445126138 1072672161 /nfs/dbraw/zinc/67/21/61/1072672161.db2.gz PJUCXOZIOPCTLU-SFHVURJKSA-N 1 2 431.493 -0.737 20 0 IBADLO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1 ZINC000445126185 1072672176 /nfs/dbraw/zinc/67/21/76/1072672176.db2.gz PTVLSECGYFPGCK-UHFFFAOYSA-N 1 2 446.504 -0.184 20 0 IBADLO COCCN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1=O ZINC000445129430 1072672072 /nfs/dbraw/zinc/67/20/72/1072672072.db2.gz CUJQTKQZBRDFIV-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO COCCN1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC000445129518 1072672004 /nfs/dbraw/zinc/67/20/04/1072672004.db2.gz DNCVXJOFHAKFOR-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000445133104 1072674347 /nfs/dbraw/zinc/67/43/47/1072674347.db2.gz HXOKOSKKONSQIO-IBGZPJMESA-N 1 2 429.521 -0.168 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000445133111 1072674544 /nfs/dbraw/zinc/67/45/44/1072674544.db2.gz HXOKOSKKONSQIO-LJQANCHMSA-N 1 2 429.521 -0.168 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)CC1 ZINC000445141339 1072673864 /nfs/dbraw/zinc/67/38/64/1072673864.db2.gz UHNYHOICDAQHMO-FQEVSTJZSA-N 1 2 429.521 -0.168 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)CC1 ZINC000445141340 1072673991 /nfs/dbraw/zinc/67/39/91/1072673991.db2.gz UHNYHOICDAQHMO-HXUWFJFHSA-N 1 2 429.521 -0.168 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000445147168 1072673882 /nfs/dbraw/zinc/67/38/82/1072673882.db2.gz CVXQMKYNCYXASZ-KRWDZBQOSA-N 1 2 428.493 -0.475 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000445147179 1072674036 /nfs/dbraw/zinc/67/40/36/1072674036.db2.gz CVXQMKYNCYXASZ-QGZVFWFLSA-N 1 2 428.493 -0.475 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)c2)CC1 ZINC000445150207 1072676826 /nfs/dbraw/zinc/67/68/26/1072676826.db2.gz NLRHGWHJORNBLV-GOSISDBHSA-N 1 2 428.493 -0.475 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)c2)CC1 ZINC000445150208 1072676878 /nfs/dbraw/zinc/67/68/78/1072676878.db2.gz NLRHGWHJORNBLV-SFHVURJKSA-N 1 2 428.493 -0.475 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000445154436 1072674516 /nfs/dbraw/zinc/67/45/16/1072674516.db2.gz ATPRJNDHZVNAAA-MRXNPFEDSA-N 1 2 434.493 -0.612 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 ZINC000445154686 1072674454 /nfs/dbraw/zinc/67/44/54/1072674454.db2.gz AOQGCIWCMJHYTB-CQSZACIVSA-N 1 2 441.554 -0.534 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000445154813 1072674508 /nfs/dbraw/zinc/67/45/08/1072674508.db2.gz BWOPKNBZJRLESJ-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000445156567 1072674439 /nfs/dbraw/zinc/67/44/39/1072674439.db2.gz BQABWNHHXLWPQV-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445157096 1072675048 /nfs/dbraw/zinc/67/50/48/1072675048.db2.gz CNZLRPQKJZMSTA-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445157983 1072675093 /nfs/dbraw/zinc/67/50/93/1072675093.db2.gz BHOLQFMJPNBLRL-UHFFFAOYSA-N 1 2 446.474 0.544 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445159495 1072675160 /nfs/dbraw/zinc/67/51/60/1072675160.db2.gz AZMTVGCJHXLIFI-HUUCEWRRSA-N 1 2 442.538 -0.537 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445159496 1072675015 /nfs/dbraw/zinc/67/50/15/1072675015.db2.gz AZMTVGCJHXLIFI-LSDHHAIUSA-N 1 2 442.538 -0.537 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000445159565 1072675024 /nfs/dbraw/zinc/67/50/24/1072675024.db2.gz NREJKECOZIJPJE-CYBMUJFWSA-N 1 2 440.522 -0.401 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1S(=O)(=O)N(C)C ZINC000445159757 1072675077 /nfs/dbraw/zinc/67/50/77/1072675077.db2.gz GTQGETGSPUCHBW-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445160481 1072675121 /nfs/dbraw/zinc/67/51/21/1072675121.db2.gz SMLPRAAZGNLSQO-OAHLLOKOSA-N 1 2 434.493 -0.369 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000445160521 1072675001 /nfs/dbraw/zinc/67/50/01/1072675001.db2.gz CEAJGJIYEFONHK-MRXNPFEDSA-N 1 2 447.536 -0.454 20 0 IBADLO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2)CC1 ZINC000445160691 1072675549 /nfs/dbraw/zinc/67/55/49/1072675549.db2.gz CTXXGIQWOOASKS-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000445161162 1072675544 /nfs/dbraw/zinc/67/55/44/1072675544.db2.gz QHQBOHSRLLHDEI-MRXNPFEDSA-N 1 2 433.509 -0.579 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000445161481 1072675110 /nfs/dbraw/zinc/67/51/10/1072675110.db2.gz DXRNAYBYPOXDIU-OAHLLOKOSA-N 1 2 440.522 -0.829 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000445161706 1072675588 /nfs/dbraw/zinc/67/55/88/1072675588.db2.gz KCVHIVKNDIXVIX-GFCCVEGCSA-N 1 2 428.486 -0.270 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000445161741 1072675619 /nfs/dbraw/zinc/67/56/19/1072675619.db2.gz RIFWFTXZLUSABC-CQSZACIVSA-N 1 2 437.522 -0.379 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445162158 1072675563 /nfs/dbraw/zinc/67/55/63/1072675563.db2.gz FSBXKEGQKLIZQA-GFCCVEGCSA-N 1 2 439.465 -0.038 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(=O)(=O)N(C)C ZINC000445162529 1072675537 /nfs/dbraw/zinc/67/55/37/1072675537.db2.gz MDKYBAIRLOTFGG-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000445162652 1072675629 /nfs/dbraw/zinc/67/56/29/1072675629.db2.gz SUTLSAHVZHKCAI-QGZVFWFLSA-N 1 2 447.536 -0.788 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(S(C)(=O)=O)c1 ZINC000445162680 1072675583 /nfs/dbraw/zinc/67/55/83/1072675583.db2.gz UPIWEQFJEXNHNN-CYBMUJFWSA-N 1 2 441.506 -0.270 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1OCC(=O)NC1CC1 ZINC000445162757 1072675655 /nfs/dbraw/zinc/67/56/55/1072675655.db2.gz UTPXXIGTBNUHEW-CQSZACIVSA-N 1 2 434.493 -0.184 20 0 IBADLO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445163510 1072675555 /nfs/dbraw/zinc/67/55/55/1072675555.db2.gz ZTEJQUZUMLLPSI-OAHLLOKOSA-N 1 2 427.523 -0.040 20 0 IBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445163828 1072676342 /nfs/dbraw/zinc/67/63/42/1072676342.db2.gz IEPFAQWGVGWMBZ-OAHLLOKOSA-N 1 2 434.493 -0.227 20 0 IBADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000445164259 1072675578 /nfs/dbraw/zinc/67/55/78/1072675578.db2.gz KPLXUSABNMTCGP-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000445164525 1072675569 /nfs/dbraw/zinc/67/55/69/1072675569.db2.gz JMBQPHBGMCLETP-CYBMUJFWSA-N 1 2 428.511 -0.080 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445164641 1072676259 /nfs/dbraw/zinc/67/62/59/1072676259.db2.gz XIPBEDKHIZBRLR-CABCVRRESA-N 1 2 434.493 -0.169 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445164642 1072676333 /nfs/dbraw/zinc/67/63/33/1072676333.db2.gz XIPBEDKHIZBRLR-HUUCEWRRSA-N 1 2 434.493 -0.169 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445165721 1072676127 /nfs/dbraw/zinc/67/61/27/1072676127.db2.gz ZUJBLSRWWSUURA-CQSZACIVSA-N 1 2 442.538 -0.201 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)CC1 ZINC000445165827 1072676218 /nfs/dbraw/zinc/67/62/18/1072676218.db2.gz NVOWEYLFMINXLD-CABCVRRESA-N 1 2 429.481 -0.059 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)CC1 ZINC000445165828 1072676289 /nfs/dbraw/zinc/67/62/89/1072676289.db2.gz NVOWEYLFMINXLD-HUUCEWRRSA-N 1 2 429.481 -0.059 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445166444 1072676143 /nfs/dbraw/zinc/67/61/43/1072676143.db2.gz OJQBNDJRYCRPGR-CYBMUJFWSA-N 1 2 428.511 -0.591 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000445167282 1072676315 /nfs/dbraw/zinc/67/63/15/1072676315.db2.gz QOUOKAFVNFAQQK-CYBMUJFWSA-N 1 2 428.486 -0.171 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 ZINC000445167516 1072676235 /nfs/dbraw/zinc/67/62/35/1072676235.db2.gz ZJQGAQUSRVHPJX-CQSZACIVSA-N 1 2 435.506 -0.261 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C[C@@H](C)O)CC3)cc2)CC1 ZINC000445167596 1072676300 /nfs/dbraw/zinc/67/63/00/1072676300.db2.gz ZSWCTRAXXKZLRO-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 ZINC000445168604 1072676271 /nfs/dbraw/zinc/67/62/71/1072676271.db2.gz ZRUGMSVYEJIBTD-MRXNPFEDSA-N 1 2 444.536 -0.396 20 0 IBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445181270 1072677378 /nfs/dbraw/zinc/67/73/78/1072677378.db2.gz AXTHFNDBHBXLIE-MOPGFXCFSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445181282 1072677368 /nfs/dbraw/zinc/67/73/68/1072677368.db2.gz AXTHFNDBHBXLIE-OALUTQOASA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445181284 1072677401 /nfs/dbraw/zinc/67/74/01/1072677401.db2.gz AXTHFNDBHBXLIE-RBUKOAKNSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445181286 1072677323 /nfs/dbraw/zinc/67/73/23/1072677323.db2.gz AXTHFNDBHBXLIE-RTBURBONSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445184951 1072677863 /nfs/dbraw/zinc/67/78/63/1072677863.db2.gz FLMFOFPAZQJOMA-MOPGFXCFSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445184952 1072677905 /nfs/dbraw/zinc/67/79/05/1072677905.db2.gz FLMFOFPAZQJOMA-OALUTQOASA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445184953 1072678010 /nfs/dbraw/zinc/67/80/10/1072678010.db2.gz FLMFOFPAZQJOMA-RBUKOAKNSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445184954 1072677953 /nfs/dbraw/zinc/67/79/53/1072677953.db2.gz FLMFOFPAZQJOMA-RTBURBONSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000445199692 1072682977 /nfs/dbraw/zinc/68/29/77/1072682977.db2.gz YTXIXTSSPAFXQP-MOPGFXCFSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000445199694 1070891979 /nfs/dbraw/zinc/89/19/79/1070891979.db2.gz YTXIXTSSPAFXQP-OALUTQOASA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000445199696 1072682936 /nfs/dbraw/zinc/68/29/36/1072682936.db2.gz YTXIXTSSPAFXQP-RBUKOAKNSA-N 1 2 446.504 -0.186 20 0 IBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000445199698 1072682899 /nfs/dbraw/zinc/68/28/99/1072682899.db2.gz YTXIXTSSPAFXQP-RTBURBONSA-N 1 2 446.504 -0.186 20 0 IBADLO Cn1cc(-c2noc(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)n2)c(=O)n(C)c1=O ZINC000445554326 1071211759 /nfs/dbraw/zinc/21/17/59/1071211759.db2.gz PONYMDXEPMXLRE-UHFFFAOYSA-N 1 2 425.449 -0.190 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000445669880 1072700876 /nfs/dbraw/zinc/70/08/76/1072700876.db2.gz IVTOHPNUCVLKLE-GFCCVEGCSA-N 1 2 433.498 -0.888 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000445669881 1072701069 /nfs/dbraw/zinc/70/10/69/1072701069.db2.gz IVTOHPNUCVLKLE-LBPRGKRZSA-N 1 2 433.498 -0.888 20 0 IBADLO COc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000445701212 1072702923 /nfs/dbraw/zinc/70/29/23/1072702923.db2.gz CAXYFXZQRSGSBL-GOSISDBHSA-N 1 2 426.495 -0.250 20 0 IBADLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000445701212 1072702913 /nfs/dbraw/zinc/70/29/13/1072702913.db2.gz CAXYFXZQRSGSBL-GOSISDBHSA-N 1 2 426.495 -0.250 20 0 IBADLO COc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000445701213 1072702983 /nfs/dbraw/zinc/70/29/83/1072702983.db2.gz CAXYFXZQRSGSBL-SFHVURJKSA-N 1 2 426.495 -0.250 20 0 IBADLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000445701213 1072702980 /nfs/dbraw/zinc/70/29/80/1072702980.db2.gz CAXYFXZQRSGSBL-SFHVURJKSA-N 1 2 426.495 -0.250 20 0 IBADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000445703459 1072703047 /nfs/dbraw/zinc/70/30/47/1072703047.db2.gz YRHIZALZFCGHRB-UHFFFAOYSA-N 1 2 433.552 -0.292 20 0 IBADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000445703459 1072703044 /nfs/dbraw/zinc/70/30/44/1072703044.db2.gz YRHIZALZFCGHRB-UHFFFAOYSA-N 1 2 433.552 -0.292 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000445710427 1072703611 /nfs/dbraw/zinc/70/36/11/1072703611.db2.gz VYKWEUDBMOCXNK-IBGZPJMESA-N 1 2 444.584 -0.063 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000445710428 1072703598 /nfs/dbraw/zinc/70/35/98/1072703598.db2.gz VYKWEUDBMOCXNK-LJQANCHMSA-N 1 2 444.584 -0.063 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000445836335 1072708220 /nfs/dbraw/zinc/70/82/20/1072708220.db2.gz VUDJFCQTCDOXQT-AWEZNQCLSA-N 1 2 434.522 -0.470 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000445836336 1072708192 /nfs/dbraw/zinc/70/81/92/1072708192.db2.gz VUDJFCQTCDOXQT-CQSZACIVSA-N 1 2 434.522 -0.470 20 0 IBADLO COc1cnccc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000446090826 1072718677 /nfs/dbraw/zinc/71/86/77/1072718677.db2.gz NGZCWJQGGWBBBH-HNNXBMFYSA-N 1 2 426.543 -0.029 20 0 IBADLO COc1cnccc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000446090827 1072718658 /nfs/dbraw/zinc/71/86/58/1072718658.db2.gz NGZCWJQGGWBBBH-OAHLLOKOSA-N 1 2 426.543 -0.029 20 0 IBADLO CSc1nnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000446095813 1072719145 /nfs/dbraw/zinc/71/91/45/1072719145.db2.gz RNXPCCHZCFHINP-UHFFFAOYSA-N 1 2 435.601 -0.421 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446114678 1072720085 /nfs/dbraw/zinc/72/00/85/1072720085.db2.gz UYHWKIHVORMSHJ-HNNXBMFYSA-N 1 2 426.543 -0.756 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446114678 1072720081 /nfs/dbraw/zinc/72/00/81/1072720081.db2.gz UYHWKIHVORMSHJ-HNNXBMFYSA-N 1 2 426.543 -0.756 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000446114679 1072719957 /nfs/dbraw/zinc/71/99/57/1072719957.db2.gz UYHWKIHVORMSHJ-OAHLLOKOSA-N 1 2 426.543 -0.756 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000446114679 1072719951 /nfs/dbraw/zinc/71/99/51/1072719951.db2.gz UYHWKIHVORMSHJ-OAHLLOKOSA-N 1 2 426.543 -0.756 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000446138962 1072720616 /nfs/dbraw/zinc/72/06/16/1072720616.db2.gz MVKCBUBESHSOKC-HNNXBMFYSA-N 1 2 449.537 -0.663 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000446138963 1072720659 /nfs/dbraw/zinc/72/06/59/1072720659.db2.gz MVKCBUBESHSOKC-OAHLLOKOSA-N 1 2 449.537 -0.663 20 0 IBADLO Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000446444323 1072731403 /nfs/dbraw/zinc/73/14/03/1072731403.db2.gz LCDANNCQPZENJI-UHFFFAOYSA-N 1 2 432.506 -0.008 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)cn1 ZINC000446445992 1072730520 /nfs/dbraw/zinc/73/05/20/1072730520.db2.gz XOAYPZYQBAABEB-UHFFFAOYSA-N 1 2 436.469 -0.178 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000446448800 1072730410 /nfs/dbraw/zinc/73/04/10/1072730410.db2.gz GJGNZXVXUBAXJM-MOPGFXCFSA-N 1 2 435.569 -0.678 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000446448801 1072730577 /nfs/dbraw/zinc/73/05/77/1072730577.db2.gz GJGNZXVXUBAXJM-OALUTQOASA-N 1 2 435.569 -0.678 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000446448802 1072730663 /nfs/dbraw/zinc/73/06/63/1072730663.db2.gz GJGNZXVXUBAXJM-RBUKOAKNSA-N 1 2 435.569 -0.678 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000446448803 1072730600 /nfs/dbraw/zinc/73/06/00/1072730600.db2.gz GJGNZXVXUBAXJM-RTBURBONSA-N 1 2 435.569 -0.678 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446516971 1072733192 /nfs/dbraw/zinc/73/31/92/1072733192.db2.gz BJHPNWVITBAZOY-GOSISDBHSA-N 1 2 438.550 -0.620 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446516972 1072733231 /nfs/dbraw/zinc/73/32/31/1072733231.db2.gz BJHPNWVITBAZOY-SFHVURJKSA-N 1 2 438.550 -0.620 20 0 IBADLO COc1cccc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000446518980 1072733898 /nfs/dbraw/zinc/73/38/98/1072733898.db2.gz DWLXFANLPNCURU-UHFFFAOYSA-N 1 2 439.538 -0.421 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)NCc1ccccc1 ZINC000446712827 1072742414 /nfs/dbraw/zinc/74/24/14/1072742414.db2.gz USOHHFZYNKYAGX-UHFFFAOYSA-N 1 2 428.493 -0.024 20 0 IBADLO O=C(NCCCNC(=O)c1cccs1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446713787 1072742566 /nfs/dbraw/zinc/74/25/66/1072742566.db2.gz ANTFOPNDEYBSJC-UHFFFAOYSA-N 1 2 434.522 0.152 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)NCc1ccccc1 ZINC000446713840 1072742679 /nfs/dbraw/zinc/74/26/79/1072742679.db2.gz BBUIVFOSEQXKOK-UHFFFAOYSA-N 1 2 428.493 -0.024 20 0 IBADLO O=C(CC1CCCCC1)NCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446715981 1073319162 /nfs/dbraw/zinc/31/91/62/1073319162.db2.gz WQXMONNFOBGPNY-UHFFFAOYSA-N 1 2 434.541 0.357 20 0 IBADLO CCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446717330 1072743815 /nfs/dbraw/zinc/74/38/15/1072743815.db2.gz QYXGMEOTYGLBKS-UHFFFAOYSA-N 1 2 434.541 0.309 20 0 IBADLO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)cs1 ZINC000446717401 1073349652 /nfs/dbraw/zinc/34/96/52/1073349652.db2.gz BLLQIKIFKADPQK-UHFFFAOYSA-N 1 2 447.565 0.263 20 0 IBADLO COc1cccc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)c1 ZINC000446717554 1072743585 /nfs/dbraw/zinc/74/35/85/1072743585.db2.gz SYOZNMSYFCNNOE-KRWDZBQOSA-N 1 2 442.520 0.558 20 0 IBADLO COc1cccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)c1 ZINC000446717555 1072743600 /nfs/dbraw/zinc/74/36/00/1072743600.db2.gz SYOZNMSYFCNNOE-QGZVFWFLSA-N 1 2 442.520 0.558 20 0 IBADLO CC(=O)Nc1ccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000446719496 1072743654 /nfs/dbraw/zinc/74/36/54/1072743654.db2.gz OPHWZXGUCPMVLH-UHFFFAOYSA-N 1 2 428.493 0.471 20 0 IBADLO Cc1nsc(N2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000446720240 1073352765 /nfs/dbraw/zinc/35/27/65/1073352765.db2.gz MGEPZXIOHYJXDD-UHFFFAOYSA-N 1 2 448.553 0.053 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000446723595 1072743720 /nfs/dbraw/zinc/74/37/20/1072743720.db2.gz UCKONNLFIFIUEO-KRWDZBQOSA-N 1 2 448.524 -0.749 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000446723596 1072743565 /nfs/dbraw/zinc/74/35/65/1072743565.db2.gz UCKONNLFIFIUEO-QGZVFWFLSA-N 1 2 448.524 -0.749 20 0 IBADLO COc1ccc([C@@H](CCO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000446726063 1073347338 /nfs/dbraw/zinc/34/73/38/1073347338.db2.gz NBNORLWBDZUMJG-GOSISDBHSA-N 1 2 431.493 0.402 20 0 IBADLO COc1ccc([C@H](CCO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000446726133 1072744157 /nfs/dbraw/zinc/74/41/57/1072744157.db2.gz NBNORLWBDZUMJG-SFHVURJKSA-N 1 2 431.493 0.402 20 0 IBADLO COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446726704 1072744232 /nfs/dbraw/zinc/74/42/32/1072744232.db2.gz QIFLMCLGQFOMJS-INIZCTEOSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446726704 1072744225 /nfs/dbraw/zinc/74/42/25/1072744225.db2.gz QIFLMCLGQFOMJS-INIZCTEOSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446726705 1072744369 /nfs/dbraw/zinc/74/43/69/1072744369.db2.gz QIFLMCLGQFOMJS-MRXNPFEDSA-N 1 2 436.513 -0.750 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446726705 1072744366 /nfs/dbraw/zinc/74/43/66/1072744366.db2.gz QIFLMCLGQFOMJS-MRXNPFEDSA-N 1 2 436.513 -0.750 20 0 IBADLO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)oc1C ZINC000446726983 1073349608 /nfs/dbraw/zinc/34/96/08/1073349608.db2.gz SQNKKABKADTYQR-UHFFFAOYSA-N 1 2 445.524 0.103 20 0 IBADLO CCc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000446728280 1073351754 /nfs/dbraw/zinc/35/17/54/1073351754.db2.gz INBQUCUBEVROAU-UHFFFAOYSA-N 1 2 448.553 -0.084 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446732340 1072743138 /nfs/dbraw/zinc/74/31/38/1072743138.db2.gz QOELHGOSKPDYPR-UHFFFAOYSA-N 1 2 449.556 -0.834 20 0 IBADLO CCc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)n1 ZINC000446733060 1072743055 /nfs/dbraw/zinc/74/30/55/1072743055.db2.gz ZKJXNXZDYFJDTQ-UHFFFAOYSA-N 1 2 448.553 -0.084 20 0 IBADLO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446734370 1073336625 /nfs/dbraw/zinc/33/66/25/1073336625.db2.gz DTUPXXFCITVMRX-UHFFFAOYSA-N 1 2 442.520 0.319 20 0 IBADLO O=C(NC[C@@H](CO)Cc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446737625 1073326949 /nfs/dbraw/zinc/32/69/49/1073326949.db2.gz XWNLJKUKFHXGIL-KRWDZBQOSA-N 1 2 433.484 0.260 20 0 IBADLO O=C(NC[C@H](CO)Cc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446737626 1072745268 /nfs/dbraw/zinc/74/52/68/1072745268.db2.gz XWNLJKUKFHXGIL-QGZVFWFLSA-N 1 2 433.484 0.260 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000446739014 1073334583 /nfs/dbraw/zinc/33/45/83/1073334583.db2.gz PCTRZWCWFUDCDS-KRWDZBQOSA-N 1 2 440.504 0.355 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000446739015 1073334503 /nfs/dbraw/zinc/33/45/03/1073334503.db2.gz PCTRZWCWFUDCDS-QGZVFWFLSA-N 1 2 440.504 0.355 20 0 IBADLO CCc1cnc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)s1 ZINC000446739312 1073350252 /nfs/dbraw/zinc/35/02/52/1073350252.db2.gz SRLAYSOWDUFFJF-UHFFFAOYSA-N 1 2 447.565 0.522 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)n1 ZINC000446739324 1072745317 /nfs/dbraw/zinc/74/53/17/1072745317.db2.gz STOBNAJFZBDEIA-UHFFFAOYSA-N 1 2 444.496 -0.699 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(=O)N1c1ccccc1 ZINC000446742807 1072744893 /nfs/dbraw/zinc/74/48/93/1072744893.db2.gz RZMFSIPOSIQZSU-AEFFLSMTSA-N 1 2 440.504 0.464 20 0 IBADLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(=O)N1c1ccccc1 ZINC000446742808 1072744869 /nfs/dbraw/zinc/74/48/69/1072744869.db2.gz RZMFSIPOSIQZSU-FUHWJXTLSA-N 1 2 440.504 0.464 20 0 IBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(=O)N1c1ccccc1 ZINC000446742809 1072744748 /nfs/dbraw/zinc/74/47/48/1072744748.db2.gz RZMFSIPOSIQZSU-SJLPKXTDSA-N 1 2 440.504 0.464 20 0 IBADLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(=O)N1c1ccccc1 ZINC000446742810 1072744837 /nfs/dbraw/zinc/74/48/37/1072744837.db2.gz RZMFSIPOSIQZSU-WMZOPIPTSA-N 1 2 440.504 0.464 20 0 IBADLO CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446747367 1072744790 /nfs/dbraw/zinc/74/47/90/1072744790.db2.gz CVMIBJSFXIMOMH-UHFFFAOYSA-N 1 2 435.529 -0.240 20 0 IBADLO CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446747447 1072744812 /nfs/dbraw/zinc/74/48/12/1072744812.db2.gz DRMYKLNCTLRASD-UHFFFAOYSA-N 1 2 435.529 -0.240 20 0 IBADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)cn1 ZINC000446748353 1073354873 /nfs/dbraw/zinc/35/48/73/1073354873.db2.gz OAOJYMYPXGQGTB-INIZCTEOSA-N 1 2 430.513 -0.328 20 0 IBADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)cn1 ZINC000446748354 1073354900 /nfs/dbraw/zinc/35/49/00/1073354900.db2.gz OAOJYMYPXGQGTB-MRXNPFEDSA-N 1 2 430.513 -0.328 20 0 IBADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cn1 ZINC000446748606 1072744823 /nfs/dbraw/zinc/74/48/23/1072744823.db2.gz QXLXDGKOUZASFM-INIZCTEOSA-N 1 2 430.513 -0.328 20 0 IBADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cn1 ZINC000446748607 1072745280 /nfs/dbraw/zinc/74/52/80/1072745280.db2.gz QXLXDGKOUZASFM-MRXNPFEDSA-N 1 2 430.513 -0.328 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCc2ccccc21 ZINC000446748744 1073320399 /nfs/dbraw/zinc/32/03/99/1073320399.db2.gz SLMBECBJOOIKIG-UHFFFAOYSA-N 1 2 440.504 0.249 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000446762453 1072745761 /nfs/dbraw/zinc/74/57/61/1072745761.db2.gz TYNGYDPRQFMBSX-CYBMUJFWSA-N 1 2 446.430 -0.177 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000446762455 1072745854 /nfs/dbraw/zinc/74/58/54/1072745854.db2.gz TYNGYDPRQFMBSX-ZDUSSCGKSA-N 1 2 446.430 -0.177 20 0 IBADLO NC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446766566 1072745778 /nfs/dbraw/zinc/74/57/78/1072745778.db2.gz GDQIPPRSBGJZIM-INIZCTEOSA-N 1 2 446.483 -0.247 20 0 IBADLO NC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446766567 1073317571 /nfs/dbraw/zinc/31/75/71/1073317571.db2.gz GDQIPPRSBGJZIM-MRXNPFEDSA-N 1 2 446.483 -0.247 20 0 IBADLO NC(=O)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cc1ccc(F)cc1 ZINC000446770548 1072746411 /nfs/dbraw/zinc/74/64/11/1072746411.db2.gz RIKOGKQHSUUPSN-INIZCTEOSA-N 1 2 446.483 -0.247 20 0 IBADLO NC(=O)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cc1ccc(F)cc1 ZINC000446770549 1072746382 /nfs/dbraw/zinc/74/63/82/1072746382.db2.gz RIKOGKQHSUUPSN-MRXNPFEDSA-N 1 2 446.483 -0.247 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000446772402 1072746285 /nfs/dbraw/zinc/74/62/85/1072746285.db2.gz HTHALHGSOWMHQL-HNNXBMFYSA-N 1 2 428.497 -0.711 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000446772403 1072746429 /nfs/dbraw/zinc/74/64/29/1072746429.db2.gz HTHALHGSOWMHQL-OAHLLOKOSA-N 1 2 428.497 -0.711 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCc2ccccc2C1 ZINC000446773792 1073320236 /nfs/dbraw/zinc/32/02/36/1073320236.db2.gz DPGQXQUFMHMWEQ-UHFFFAOYSA-N 1 2 440.504 -0.145 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCc2ccccc2C1 ZINC000446774574 1072746398 /nfs/dbraw/zinc/74/63/98/1072746398.db2.gz GTLYHWXSJFQLLR-UHFFFAOYSA-N 1 2 440.504 -0.145 20 0 IBADLO O=C(NCCCNC(=O)c1cccc(O)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446775270 1072746197 /nfs/dbraw/zinc/74/61/97/1072746197.db2.gz JMBRFGCJGJQQFO-UHFFFAOYSA-N 1 2 444.492 -0.204 20 0 IBADLO O=C(NCCCNC(=O)c1cccc(O)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446777730 1073324411 /nfs/dbraw/zinc/32/44/11/1073324411.db2.gz STHHGFLMTMVFCJ-UHFFFAOYSA-N 1 2 444.492 -0.204 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000446778693 1072748218 /nfs/dbraw/zinc/74/82/18/1072748218.db2.gz YBYJGYSKZXRQKC-INIZCTEOSA-N 1 2 444.467 0.215 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000446778697 1073334689 /nfs/dbraw/zinc/33/46/89/1073334689.db2.gz YBYJGYSKZXRQKC-MRXNPFEDSA-N 1 2 444.467 0.215 20 0 IBADLO O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446781122 1073326898 /nfs/dbraw/zinc/32/68/98/1073326898.db2.gz SAQGPCFOMFHRFQ-UHFFFAOYSA-N 1 2 447.565 0.569 20 0 IBADLO Cc1nn(C)c(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C ZINC000446782459 1072748087 /nfs/dbraw/zinc/74/80/87/1072748087.db2.gz YPHWHNZDYGVERN-UHFFFAOYSA-N 1 2 428.497 -0.049 20 0 IBADLO Cc1nn(C)c(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C ZINC000446782459 1072748080 /nfs/dbraw/zinc/74/80/80/1072748080.db2.gz YPHWHNZDYGVERN-UHFFFAOYSA-N 1 2 428.497 -0.049 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000446782551 1073333861 /nfs/dbraw/zinc/33/38/61/1073333861.db2.gz GLIIRVTZTBGRBT-UHFFFAOYSA-N 1 2 428.497 -0.317 20 0 IBADLO O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446782734 1073324694 /nfs/dbraw/zinc/32/46/94/1073324694.db2.gz CTERFAVPMXSXFL-UHFFFAOYSA-N 1 2 446.483 0.229 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000446782940 1072748102 /nfs/dbraw/zinc/74/81/02/1072748102.db2.gz HDPFCXQFXQCKKM-UHFFFAOYSA-N 1 2 428.497 -0.317 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)cn1 ZINC000446784527 1072748777 /nfs/dbraw/zinc/74/87/77/1072748777.db2.gz IHQZMOVPJTUSGD-UHFFFAOYSA-N 1 2 444.492 -0.241 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cn1 ZINC000446784527 1072748772 /nfs/dbraw/zinc/74/87/72/1072748772.db2.gz IHQZMOVPJTUSGD-UHFFFAOYSA-N 1 2 444.492 -0.241 20 0 IBADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446787057 1073309776 /nfs/dbraw/zinc/30/97/76/1073309776.db2.gz WXZHOOMYPSLRQM-KRWDZBQOSA-N 1 2 448.568 0.555 20 0 IBADLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446787058 1073309853 /nfs/dbraw/zinc/30/98/53/1073309853.db2.gz WXZHOOMYPSLRQM-QGZVFWFLSA-N 1 2 448.568 0.555 20 0 IBADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000446790195 1073338799 /nfs/dbraw/zinc/33/87/99/1073338799.db2.gz NHULTWMVLYZSTH-UHFFFAOYSA-N 1 2 428.493 0.008 20 0 IBADLO O=C(NCCCNC(=O)c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446791028 1072746735 /nfs/dbraw/zinc/74/67/35/1072746735.db2.gz DMHBEGNOBOSIDM-UHFFFAOYSA-N 1 2 446.483 0.229 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000446791353 1072747509 /nfs/dbraw/zinc/74/75/09/1072747509.db2.gz GAXJQDPHEUTXNQ-GOSISDBHSA-N 1 2 440.504 0.466 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000446791354 1072747362 /nfs/dbraw/zinc/74/73/62/1072747362.db2.gz GAXJQDPHEUTXNQ-SFHVURJKSA-N 1 2 440.504 0.466 20 0 IBADLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000446793426 1073343280 /nfs/dbraw/zinc/34/32/80/1073343280.db2.gz DRQBMDUKQXJIRT-DLBZAZTESA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000446793427 1073342862 /nfs/dbraw/zinc/34/28/62/1073342862.db2.gz DRQBMDUKQXJIRT-IAGOWNOFSA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000446793428 1073343447 /nfs/dbraw/zinc/34/34/47/1073343447.db2.gz DRQBMDUKQXJIRT-IRXDYDNUSA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000446793429 1073343342 /nfs/dbraw/zinc/34/33/42/1073343342.db2.gz DRQBMDUKQXJIRT-SJORKVTESA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000446797361 1072748172 /nfs/dbraw/zinc/74/81/72/1072748172.db2.gz WZIQOVIIRGFRBP-MSOLQXFVSA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000446797362 1072748157 /nfs/dbraw/zinc/74/81/57/1072748157.db2.gz WZIQOVIIRGFRBP-QZTJIDSGSA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000446797363 1072748142 /nfs/dbraw/zinc/74/81/42/1072748142.db2.gz WZIQOVIIRGFRBP-ROUUACIJSA-N 1 2 435.525 -0.068 20 0 IBADLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000446797364 1072748190 /nfs/dbraw/zinc/74/81/90/1072748190.db2.gz WZIQOVIIRGFRBP-ZWKOTPCHSA-N 1 2 435.525 -0.068 20 0 IBADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446801680 1072749748 /nfs/dbraw/zinc/74/97/48/1072749748.db2.gz BAYQCODEHZMFCY-KRWDZBQOSA-N 1 2 442.520 0.558 20 0 IBADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446801681 1073349264 /nfs/dbraw/zinc/34/92/64/1073349264.db2.gz BAYQCODEHZMFCY-QGZVFWFLSA-N 1 2 442.520 0.558 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000446804911 1072749733 /nfs/dbraw/zinc/74/97/33/1072749733.db2.gz XXWNMBMIVNZQAZ-UHFFFAOYSA-N 1 2 428.493 0.208 20 0 IBADLO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446807062 1072749614 /nfs/dbraw/zinc/74/96/14/1072749614.db2.gz VZOGSPUSIPLYMT-INIZCTEOSA-N 1 2 442.542 -0.918 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446807063 1072749807 /nfs/dbraw/zinc/74/98/07/1072749807.db2.gz VZOGSPUSIPLYMT-MRXNPFEDSA-N 1 2 442.542 -0.918 20 0 IBADLO C[C@H](N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)C(F)(F)F ZINC000446810133 1072750393 /nfs/dbraw/zinc/75/03/93/1072750393.db2.gz VZALKQSSHSJWLB-AWEZNQCLSA-N 1 2 432.447 0.249 20 0 IBADLO C[C@@H](N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)C(F)(F)F ZINC000446810134 1073352791 /nfs/dbraw/zinc/35/27/91/1073352791.db2.gz VZALKQSSHSJWLB-CQSZACIVSA-N 1 2 432.447 0.249 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000446813128 1072749279 /nfs/dbraw/zinc/74/92/79/1072749279.db2.gz OJJAXDRKRYEJOQ-GOSISDBHSA-N 1 2 429.477 0.460 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000446813129 1072749032 /nfs/dbraw/zinc/74/90/32/1072749032.db2.gz OJJAXDRKRYEJOQ-SFHVURJKSA-N 1 2 429.477 0.460 20 0 IBADLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815864 1073349175 /nfs/dbraw/zinc/34/91/75/1073349175.db2.gz ZVTHBZWEPCIUAT-PWEULYCESA-N 1 2 425.555 0.350 20 0 IBADLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815865 1073349147 /nfs/dbraw/zinc/34/91/47/1073349147.db2.gz ZVTHBZWEPCIUAT-GZRVVXPKSA-N 1 2 425.555 0.350 20 0 IBADLO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815866 1073349086 /nfs/dbraw/zinc/34/90/86/1073349086.db2.gz ZVTHBZWEPCIUAT-ZSIWHHEXSA-N 1 2 425.555 0.350 20 0 IBADLO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815867 1073349186 /nfs/dbraw/zinc/34/91/86/1073349186.db2.gz ZVTHBZWEPCIUAT-HDBFXVAESA-N 1 2 425.555 0.350 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000446819598 1072749720 /nfs/dbraw/zinc/74/97/20/1072749720.db2.gz YPFGGTRECMKITC-GOSISDBHSA-N 1 2 446.552 0.451 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000446819599 1072749775 /nfs/dbraw/zinc/74/97/75/1072749775.db2.gz YPFGGTRECMKITC-SFHVURJKSA-N 1 2 446.552 0.451 20 0 IBADLO O=C(NCC[C@H]1COc2ccccc2O1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446820352 1072750371 /nfs/dbraw/zinc/75/03/71/1072750371.db2.gz BNQYSSWLGPYLAT-INIZCTEOSA-N 1 2 429.477 0.500 20 0 IBADLO O=C(NCC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446820353 1072750290 /nfs/dbraw/zinc/75/02/90/1072750290.db2.gz BNQYSSWLGPYLAT-MRXNPFEDSA-N 1 2 429.477 0.500 20 0 IBADLO O=C(NCCNC(=O)c1ccccc1F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446821232 1073325569 /nfs/dbraw/zinc/32/55/69/1073325569.db2.gz MOIIUGHZXPGNIY-UHFFFAOYSA-N 1 2 432.456 -0.161 20 0 IBADLO Cn1c2ncc(S(=O)(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)cc2c(=O)[nH]c1=O ZINC000446824062 1072750241 /nfs/dbraw/zinc/75/02/41/1072750241.db2.gz RPTQQUWIGFRRPJ-UHFFFAOYSA-N 1 2 432.462 -0.005 20 0 IBADLO O=C(NCCNC(=O)c1ccccc1F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446824739 1072750958 /nfs/dbraw/zinc/75/09/58/1072750958.db2.gz VWLLZCPFFHIROZ-UHFFFAOYSA-N 1 2 432.456 -0.161 20 0 IBADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)sc1S(N)(=O)=O ZINC000446920378 1072755649 /nfs/dbraw/zinc/75/56/49/1072755649.db2.gz LWIBIAVISMQKBO-LLVKDONJSA-N 1 2 432.524 -0.933 20 0 IBADLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)sc1S(N)(=O)=O ZINC000446920379 1072755592 /nfs/dbraw/zinc/75/55/92/1072755592.db2.gz LWIBIAVISMQKBO-NSHDSACASA-N 1 2 432.524 -0.933 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(CC(=O)NCCOC)CC2)([NH+]2CCOCC2)C1 ZINC000446933761 1072756265 /nfs/dbraw/zinc/75/62/65/1072756265.db2.gz PJMIJDJAODNCAS-UHFFFAOYSA-N 1 2 441.573 -0.654 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000447077087 1072760895 /nfs/dbraw/zinc/76/08/95/1072760895.db2.gz MCJBUQFBGKBIDU-GOSISDBHSA-N 1 2 433.557 0.376 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000447077089 1072760924 /nfs/dbraw/zinc/76/09/24/1072760924.db2.gz MCJBUQFBGKBIDU-SFHVURJKSA-N 1 2 433.557 0.376 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(I)cn1 ZINC000447143000 1072765507 /nfs/dbraw/zinc/76/55/07/1072765507.db2.gz UWNNFSSVMNVMJT-GFCCVEGCSA-N 1 2 448.261 -0.224 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(I)cn1 ZINC000447143001 1072765546 /nfs/dbraw/zinc/76/55/46/1072765546.db2.gz UWNNFSSVMNVMJT-LBPRGKRZSA-N 1 2 448.261 -0.224 20 0 IBADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cc(OC)c1 ZINC000447178140 1072767067 /nfs/dbraw/zinc/76/70/67/1072767067.db2.gz QEVJDCZHSVRKJB-AWEZNQCLSA-N 1 2 438.506 -0.346 20 0 IBADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cc(OC)c1 ZINC000447178140 1072767064 /nfs/dbraw/zinc/76/70/64/1072767064.db2.gz QEVJDCZHSVRKJB-AWEZNQCLSA-N 1 2 438.506 -0.346 20 0 IBADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cc(OC)c1 ZINC000447178142 1072767103 /nfs/dbraw/zinc/76/71/03/1072767103.db2.gz QEVJDCZHSVRKJB-CQSZACIVSA-N 1 2 438.506 -0.346 20 0 IBADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cc(OC)c1 ZINC000447178142 1072767099 /nfs/dbraw/zinc/76/70/99/1072767099.db2.gz QEVJDCZHSVRKJB-CQSZACIVSA-N 1 2 438.506 -0.346 20 0 IBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000447191083 1072766470 /nfs/dbraw/zinc/76/64/70/1072766470.db2.gz HCLANOBEUQBLAW-UHFFFAOYSA-N 1 2 435.568 -0.079 20 0 IBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000447191083 1072766466 /nfs/dbraw/zinc/76/64/66/1072766466.db2.gz HCLANOBEUQBLAW-UHFFFAOYSA-N 1 2 435.568 -0.079 20 0 IBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000447198992 1072768235 /nfs/dbraw/zinc/76/82/35/1072768235.db2.gz JDNUFVPTKYYSOK-UHFFFAOYSA-N 1 2 425.495 -0.158 20 0 IBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000447200457 1072768129 /nfs/dbraw/zinc/76/81/29/1072768129.db2.gz PEWLAXWYOFTDDT-UHFFFAOYSA-N 1 2 435.568 -0.244 20 0 IBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000447204841 1072769063 /nfs/dbraw/zinc/76/90/63/1072769063.db2.gz VODKHHMRELMHLX-UHFFFAOYSA-N 1 2 435.568 -0.244 20 0 IBADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000447211424 1072769752 /nfs/dbraw/zinc/76/97/52/1072769752.db2.gz GCFHQBVFIDMQMM-KRWDZBQOSA-N 1 2 436.472 -0.006 20 0 IBADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000447211425 1072769762 /nfs/dbraw/zinc/76/97/62/1072769762.db2.gz GCFHQBVFIDMQMM-QGZVFWFLSA-N 1 2 436.472 -0.006 20 0 IBADLO COc1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000447261707 1072771382 /nfs/dbraw/zinc/77/13/82/1072771382.db2.gz AJJVOQFMKCQEPO-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000447359508 1073041260 /nfs/dbraw/zinc/04/12/60/1073041260.db2.gz MNIRKUIZZUURKW-GFCCVEGCSA-N 1 2 425.449 -0.290 20 0 IBADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000447359509 1073041167 /nfs/dbraw/zinc/04/11/67/1073041167.db2.gz MNIRKUIZZUURKW-LBPRGKRZSA-N 1 2 425.449 -0.290 20 0 IBADLO CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000447361030 1072774298 /nfs/dbraw/zinc/77/42/98/1072774298.db2.gz VTDRATUANNDEDD-INIZCTEOSA-N 1 2 427.527 -0.421 20 0 IBADLO CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000447361031 1072774252 /nfs/dbraw/zinc/77/42/52/1072774252.db2.gz VTDRATUANNDEDD-MRXNPFEDSA-N 1 2 427.527 -0.421 20 0 IBADLO CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000447361519 1072774135 /nfs/dbraw/zinc/77/41/35/1072774135.db2.gz YNWFZQIJDCKNNH-HNNXBMFYSA-N 1 2 427.527 -0.421 20 0 IBADLO CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000447361520 1072774355 /nfs/dbraw/zinc/77/43/55/1072774355.db2.gz YNWFZQIJDCKNNH-OAHLLOKOSA-N 1 2 427.527 -0.421 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC(C)(C)S(=O)(=O)CC2)CC1 ZINC000447385230 1072775382 /nfs/dbraw/zinc/77/53/82/1072775382.db2.gz NZLGGQIEIWNGOQ-UHFFFAOYSA-N 1 2 435.554 -0.089 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395966 1072775893 /nfs/dbraw/zinc/77/58/93/1072775893.db2.gz KUIKGFNQBNSMNP-GDBMZVCRSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395966 1072775887 /nfs/dbraw/zinc/77/58/87/1072775887.db2.gz KUIKGFNQBNSMNP-GDBMZVCRSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395967 1072775974 /nfs/dbraw/zinc/77/59/74/1072775974.db2.gz KUIKGFNQBNSMNP-GOEBONIOSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395967 1072775969 /nfs/dbraw/zinc/77/59/69/1072775969.db2.gz KUIKGFNQBNSMNP-GOEBONIOSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395968 1072775871 /nfs/dbraw/zinc/77/58/71/1072775871.db2.gz KUIKGFNQBNSMNP-HOCLYGCPSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395968 1072775863 /nfs/dbraw/zinc/77/58/63/1072775863.db2.gz KUIKGFNQBNSMNP-HOCLYGCPSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395969 1072775817 /nfs/dbraw/zinc/77/58/17/1072775817.db2.gz KUIKGFNQBNSMNP-ZBFHGGJFSA-N 1 2 427.523 -0.431 20 0 IBADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000447395969 1072775814 /nfs/dbraw/zinc/77/58/14/1072775814.db2.gz KUIKGFNQBNSMNP-ZBFHGGJFSA-N 1 2 427.523 -0.431 20 0 IBADLO CO[C@H]1C[C@H](C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)N(S(C)(=O)=O)C1 ZINC000447547894 1072782444 /nfs/dbraw/zinc/78/24/44/1072782444.db2.gz FTUGRRCWCQAGLW-GOEBONIOSA-N 1 2 425.511 -0.543 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1N(C)C ZINC000447649632 1072786245 /nfs/dbraw/zinc/78/62/45/1072786245.db2.gz IXTVZNKPOARRCD-UHFFFAOYSA-N 1 2 445.611 -0.140 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000447658850 1072785078 /nfs/dbraw/zinc/78/50/78/1072785078.db2.gz KNWRILVNNXJSCP-HNNXBMFYSA-N 1 2 426.539 -0.037 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000447658851 1072785100 /nfs/dbraw/zinc/78/51/00/1072785100.db2.gz KNWRILVNNXJSCP-OAHLLOKOSA-N 1 2 426.539 -0.037 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000447659200 1072785090 /nfs/dbraw/zinc/78/50/90/1072785090.db2.gz NJBNAIXHXAUUQK-HNNXBMFYSA-N 1 2 426.539 -0.154 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000447659201 1072785045 /nfs/dbraw/zinc/78/50/45/1072785045.db2.gz NJBNAIXHXAUUQK-OAHLLOKOSA-N 1 2 426.539 -0.154 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H](C)O1 ZINC000447660281 1072785655 /nfs/dbraw/zinc/78/56/55/1072785655.db2.gz RFICLRUWNDMOAP-IYBDPMFKSA-N 1 2 438.550 -0.012 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H](C)O1 ZINC000447660281 1072785651 /nfs/dbraw/zinc/78/56/51/1072785651.db2.gz RFICLRUWNDMOAP-IYBDPMFKSA-N 1 2 438.550 -0.012 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000447661628 1072785638 /nfs/dbraw/zinc/78/56/38/1072785638.db2.gz RTUYBWOBVNRIEJ-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000447661628 1072785633 /nfs/dbraw/zinc/78/56/33/1072785633.db2.gz RTUYBWOBVNRIEJ-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)s1 ZINC000447662232 1072785745 /nfs/dbraw/zinc/78/57/45/1072785745.db2.gz ZKNIXFLYFSZLES-CYBMUJFWSA-N 1 2 432.568 -0.158 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000447662233 1072785781 /nfs/dbraw/zinc/78/57/81/1072785781.db2.gz ZKNIXFLYFSZLES-ZDUSSCGKSA-N 1 2 432.568 -0.158 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447683593 1072786190 /nfs/dbraw/zinc/78/61/90/1072786190.db2.gz RLCMWIUSZQCMGH-UHFFFAOYSA-N 1 2 439.538 -0.697 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447683593 1072786184 /nfs/dbraw/zinc/78/61/84/1072786184.db2.gz RLCMWIUSZQCMGH-UHFFFAOYSA-N 1 2 439.538 -0.697 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000447687114 1072786368 /nfs/dbraw/zinc/78/63/68/1072786368.db2.gz HXBPHRMXJXENJW-UHFFFAOYSA-N 1 2 437.512 -0.432 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cn1C ZINC000447687715 1072786325 /nfs/dbraw/zinc/78/63/25/1072786325.db2.gz JZLVGZPSYBUERH-UHFFFAOYSA-N 1 2 434.522 -0.121 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cn1C ZINC000447687715 1072786317 /nfs/dbraw/zinc/78/63/17/1072786317.db2.gz JZLVGZPSYBUERH-UHFFFAOYSA-N 1 2 434.522 -0.121 20 0 IBADLO Cn1c2[nH]c(CCC(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)nc2c(=O)[nH]c1=O ZINC000447689642 1072786945 /nfs/dbraw/zinc/78/69/45/1072786945.db2.gz RRORKGWYYFJJME-UHFFFAOYSA-N 1 2 425.449 -0.223 20 0 IBADLO Cn1c2[nH]c(CCC(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)nc2c(=O)[nH]c1=O ZINC000447689642 1072786937 /nfs/dbraw/zinc/78/69/37/1072786937.db2.gz RRORKGWYYFJJME-UHFFFAOYSA-N 1 2 425.449 -0.223 20 0 IBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447751783 1072789424 /nfs/dbraw/zinc/78/94/24/1072789424.db2.gz CHOYJHDHEBDCQQ-UHFFFAOYSA-N 1 2 447.583 -0.679 20 0 IBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000447751873 1072789281 /nfs/dbraw/zinc/78/92/81/1072789281.db2.gz TWLLFPZSFUVFNS-CABCVRRESA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000447751873 1072789272 /nfs/dbraw/zinc/78/92/72/1072789272.db2.gz TWLLFPZSFUVFNS-CABCVRRESA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000447751875 1072789452 /nfs/dbraw/zinc/78/94/52/1072789452.db2.gz TWLLFPZSFUVFNS-GJZGRUSLSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000447751875 1072789445 /nfs/dbraw/zinc/78/94/45/1072789445.db2.gz TWLLFPZSFUVFNS-GJZGRUSLSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000447751877 1072789380 /nfs/dbraw/zinc/78/93/80/1072789380.db2.gz TWLLFPZSFUVFNS-HUUCEWRRSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000447751877 1072789370 /nfs/dbraw/zinc/78/93/70/1072789370.db2.gz TWLLFPZSFUVFNS-HUUCEWRRSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000447751880 1072789223 /nfs/dbraw/zinc/78/92/23/1072789223.db2.gz TWLLFPZSFUVFNS-LSDHHAIUSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000447751880 1072789216 /nfs/dbraw/zinc/78/92/16/1072789216.db2.gz TWLLFPZSFUVFNS-LSDHHAIUSA-N 1 2 426.543 -0.322 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447752432 1072789867 /nfs/dbraw/zinc/78/98/67/1072789867.db2.gz GLLQIGOFSQFGCE-INIZCTEOSA-N 1 2 433.600 -0.207 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447752433 1072789964 /nfs/dbraw/zinc/78/99/64/1072789964.db2.gz GLLQIGOFSQFGCE-MRXNPFEDSA-N 1 2 433.600 -0.207 20 0 IBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000447789144 1072793235 /nfs/dbraw/zinc/79/32/35/1072793235.db2.gz RCSJVZNUAFETPA-UHFFFAOYSA-N 1 2 431.544 -0.903 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447790510 1072793277 /nfs/dbraw/zinc/79/32/77/1072793277.db2.gz XPWWZVRNOGOIRY-UHFFFAOYSA-N 1 2 426.605 -0.526 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447790510 1072793271 /nfs/dbraw/zinc/79/32/71/1072793271.db2.gz XPWWZVRNOGOIRY-UHFFFAOYSA-N 1 2 426.605 -0.526 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447793698 1072793133 /nfs/dbraw/zinc/79/31/33/1072793133.db2.gz HSQGBAAXWKVXSO-HNNXBMFYSA-N 1 2 447.645 -0.571 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447793699 1072793739 /nfs/dbraw/zinc/79/37/39/1072793739.db2.gz HSQGBAAXWKVXSO-OAHLLOKOSA-N 1 2 447.645 -0.571 20 0 IBADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000447906489 1072796078 /nfs/dbraw/zinc/79/60/78/1072796078.db2.gz XOVNMBMLVJZVGX-KRWDZBQOSA-N 1 2 448.520 -0.370 20 0 IBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000447906490 1072796273 /nfs/dbraw/zinc/79/62/73/1072796273.db2.gz XOVNMBMLVJZVGX-QGZVFWFLSA-N 1 2 448.520 -0.370 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)[C@@H]1CCCO1 ZINC000447975049 1072799612 /nfs/dbraw/zinc/79/96/12/1072799612.db2.gz YYAXRSCCKMHCDY-CVEARBPZSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)[C@@H]1CCCO1 ZINC000447975050 1072799561 /nfs/dbraw/zinc/79/95/61/1072799561.db2.gz YYAXRSCCKMHCDY-HOTGVXAUSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)[C@H]1CCCO1 ZINC000447975051 1072799630 /nfs/dbraw/zinc/79/96/30/1072799630.db2.gz YYAXRSCCKMHCDY-HZPDHXFCSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)[C@H]1CCCO1 ZINC000447975052 1072799487 /nfs/dbraw/zinc/79/94/87/1072799487.db2.gz YYAXRSCCKMHCDY-JKSUJKDBSA-N 1 2 427.527 -0.628 20 0 IBADLO COCCNc1nc(N2CCN(C(C)=O)C[C@@H]2C)[nH+]c(N2CCN(C(C)=O)C[C@@H]2C)n1 ZINC000448131030 1071201441 /nfs/dbraw/zinc/20/14/41/1071201441.db2.gz VFBILHHIHMLDCR-GJZGRUSLSA-N 1 2 434.545 -0.534 20 0 IBADLO COCCNc1nc(N2CCN(C(C)=O)C[C@@H]2C)nc(N2CCN(C(C)=O)C[C@@H]2C)[nH+]1 ZINC000448131030 1071201432 /nfs/dbraw/zinc/20/14/32/1071201432.db2.gz VFBILHHIHMLDCR-GJZGRUSLSA-N 1 2 434.545 -0.534 20 0 IBADLO COCCNc1nc(N2CCN(C(C)=O)C[C@H]2C)[nH+]c(N2CCN(C(C)=O)C[C@H]2C)n1 ZINC000448131031 1071201590 /nfs/dbraw/zinc/20/15/90/1071201590.db2.gz VFBILHHIHMLDCR-HUUCEWRRSA-N 1 2 434.545 -0.534 20 0 IBADLO COCCNc1nc(N2CCN(C(C)=O)C[C@H]2C)nc(N2CCN(C(C)=O)C[C@H]2C)[nH+]1 ZINC000448131031 1071201580 /nfs/dbraw/zinc/20/15/80/1071201580.db2.gz VFBILHHIHMLDCR-HUUCEWRRSA-N 1 2 434.545 -0.534 20 0 IBADLO COCCNc1nc(N2CCC[C@@H](CC(N)=O)C2)[nH+]c(N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000448131378 1072803580 /nfs/dbraw/zinc/80/35/80/1072803580.db2.gz XJRIHEUCNPDXQY-GJZGRUSLSA-N 1 2 434.545 -0.465 20 0 IBADLO COCCNc1nc(N2CCC[C@H](CC(N)=O)C2)[nH+]c(N2CCC[C@H](CC(N)=O)C2)n1 ZINC000448131379 1072803465 /nfs/dbraw/zinc/80/34/65/1072803465.db2.gz XJRIHEUCNPDXQY-HUUCEWRRSA-N 1 2 434.545 -0.465 20 0 IBADLO CNC(=O)C(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448218464 1072805335 /nfs/dbraw/zinc/80/53/35/1072805335.db2.gz BBSFAIXRXXWSSO-UHFFFAOYSA-N 1 2 426.543 -0.395 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccnc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000448218895 1072805641 /nfs/dbraw/zinc/80/56/41/1072805641.db2.gz DLFRMGFBWNTTIY-UHFFFAOYSA-N 1 2 434.526 -0.729 20 0 IBADLO CCNC(=O)C(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448219111 1072805707 /nfs/dbraw/zinc/80/57/07/1072805707.db2.gz FLMFMKOMVMSVGJ-UHFFFAOYSA-N 1 2 440.570 -0.005 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000448225373 1072805811 /nfs/dbraw/zinc/80/58/11/1072805811.db2.gz VTRSUZBCKMDZED-KRWDZBQOSA-N 1 2 429.568 -0.133 20 0 IBADLO O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000448225374 1072805776 /nfs/dbraw/zinc/80/57/76/1072805776.db2.gz VTRSUZBCKMDZED-QGZVFWFLSA-N 1 2 429.568 -0.133 20 0 IBADLO CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000448294317 1072808864 /nfs/dbraw/zinc/80/88/64/1072808864.db2.gz PNHZYRWGJAQLEJ-UHFFFAOYSA-N 1 2 435.500 -0.041 20 0 IBADLO COCCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCSC1 ZINC000448435678 1072814532 /nfs/dbraw/zinc/81/45/32/1072814532.db2.gz KYCJEJGMCFFHRS-INIZCTEOSA-N 1 2 425.555 0.524 20 0 IBADLO COCCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCSC1 ZINC000448435679 1072814655 /nfs/dbraw/zinc/81/46/55/1072814655.db2.gz KYCJEJGMCFFHRS-MRXNPFEDSA-N 1 2 425.555 0.524 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000448473418 1072816446 /nfs/dbraw/zinc/81/64/46/1072816446.db2.gz MSCGAKJDRHRHLD-UHFFFAOYSA-N 1 2 446.533 0.200 20 0 IBADLO O=C(NCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448477153 1073326805 /nfs/dbraw/zinc/32/68/05/1073326805.db2.gz GKDVILOBSFYLPF-UHFFFAOYSA-N 1 2 429.477 0.284 20 0 IBADLO CCn1nccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448477486 1072818630 /nfs/dbraw/zinc/81/86/30/1072818630.db2.gz IMSKDEXSBDXHPM-UHFFFAOYSA-N 1 2 435.510 -0.495 20 0 IBADLO COc1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc(OC)c1OC ZINC000448477811 1072818838 /nfs/dbraw/zinc/81/88/38/1072818838.db2.gz JLRXQXSIKBPDMF-UHFFFAOYSA-N 1 2 447.492 0.496 20 0 IBADLO Cc1nn(C)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000448478217 1072818671 /nfs/dbraw/zinc/81/86/71/1072818671.db2.gz MLEKPRMNXBAJBR-UHFFFAOYSA-N 1 2 449.537 -0.361 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000448478377 1072818764 /nfs/dbraw/zinc/81/87/64/1072818764.db2.gz MYALTEPXZAISPT-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000448479070 1072819302 /nfs/dbraw/zinc/81/93/02/1072819302.db2.gz QPDYSCUSXJYDCH-UHFFFAOYSA-N 1 2 431.472 -0.355 20 0 IBADLO COc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)c1 ZINC000448479128 1072819205 /nfs/dbraw/zinc/81/92/05/1072819205.db2.gz RWRPCUVPHWGGHZ-UHFFFAOYSA-N 1 2 442.520 0.511 20 0 IBADLO COC(=O)c1ccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448479200 1073328299 /nfs/dbraw/zinc/32/82/99/1073328299.db2.gz SKJGMWXNOLKKJW-UHFFFAOYSA-N 1 2 429.477 0.299 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000448479737 1073171317 /nfs/dbraw/zinc/17/13/17/1073171317.db2.gz VZGSETCAEVIMTR-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO CCCn1nccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448479942 1072819155 /nfs/dbraw/zinc/81/91/55/1072819155.db2.gz XCQVXAWMAOSRMX-UHFFFAOYSA-N 1 2 449.537 -0.105 20 0 IBADLO COC(=O)c1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1OC ZINC000448479978 1072819274 /nfs/dbraw/zinc/81/92/74/1072819274.db2.gz XPEKOJGNEYSMOF-UHFFFAOYSA-N 1 2 445.476 0.265 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000448480400 1072819316 /nfs/dbraw/zinc/81/93/16/1072819316.db2.gz YKPPMGQWFCFNTL-UHFFFAOYSA-N 1 2 428.493 0.208 20 0 IBADLO O=C(NCc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448480463 1072819248 /nfs/dbraw/zinc/81/92/48/1072819248.db2.gz ZHWJZAMGEKHVPP-UHFFFAOYSA-N 1 2 440.504 0.362 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000448480643 1073171308 /nfs/dbraw/zinc/17/13/08/1073171308.db2.gz BSEQSSWTXKJKRZ-KRWDZBQOSA-N 1 2 432.525 -0.081 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000448480644 1073171298 /nfs/dbraw/zinc/17/12/98/1073171298.db2.gz BSEQSSWTXKJKRZ-QGZVFWFLSA-N 1 2 432.525 -0.081 20 0 IBADLO Cc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)on1 ZINC000448480932 1072819373 /nfs/dbraw/zinc/81/93/73/1072819373.db2.gz GLBHTCVMUJGLBX-UHFFFAOYSA-N 1 2 431.497 -0.205 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000448481049 1072816523 /nfs/dbraw/zinc/81/65/23/1072816523.db2.gz HUMGVCRZFUMBES-UHFFFAOYSA-N 1 2 426.521 0.498 20 0 IBADLO Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)on1 ZINC000448481381 1073320925 /nfs/dbraw/zinc/32/09/25/1073320925.db2.gz LSDZNLYZNJWTHI-UHFFFAOYSA-N 1 2 431.497 -0.205 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000448481590 1072816330 /nfs/dbraw/zinc/81/63/30/1072816330.db2.gz NXYCJIWWJNQVLM-KRWDZBQOSA-N 1 2 432.525 -0.081 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000448481591 1072816304 /nfs/dbraw/zinc/81/63/04/1072816304.db2.gz NXYCJIWWJNQVLM-QGZVFWFLSA-N 1 2 432.525 -0.081 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000448481673 1072819909 /nfs/dbraw/zinc/81/99/09/1072819909.db2.gz PCICKWBNFHAQMR-KRWDZBQOSA-N 1 2 434.497 -0.996 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000448481674 1072819999 /nfs/dbraw/zinc/81/99/99/1072819999.db2.gz PCICKWBNFHAQMR-QGZVFWFLSA-N 1 2 434.497 -0.996 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000448481853 1072819176 /nfs/dbraw/zinc/81/91/76/1072819176.db2.gz RBWDITKFTKZHCO-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000448481983 1073333768 /nfs/dbraw/zinc/33/37/68/1073333768.db2.gz SLAAJMGZZHLLPL-UHFFFAOYSA-N 1 2 432.550 0.560 20 0 IBADLO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000448482164 1072817053 /nfs/dbraw/zinc/81/70/53/1072817053.db2.gz UEEFFBAOVBQYHK-UHFFFAOYSA-N 1 2 440.548 0.541 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000448482736 1072816183 /nfs/dbraw/zinc/81/61/83/1072816183.db2.gz XLXQIKQAMIYXSN-UHFFFAOYSA-N 1 2 427.509 -0.107 20 0 IBADLO O=C(NCCc1cc(F)cc2c1OCOC2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448483140 1072817102 /nfs/dbraw/zinc/81/71/02/1072817102.db2.gz HHLCFLMVRJJVRP-UHFFFAOYSA-N 1 2 447.467 0.518 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000448483275 1072817067 /nfs/dbraw/zinc/81/70/67/1072817067.db2.gz ISOZCEBSMXZXDC-UHFFFAOYSA-N 1 2 440.504 0.138 20 0 IBADLO COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)oc1C ZINC000448483763 1072816978 /nfs/dbraw/zinc/81/69/78/1072816978.db2.gz NZGULMNLELKMMI-UHFFFAOYSA-N 1 2 433.465 0.500 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000448483947 1073309183 /nfs/dbraw/zinc/30/91/83/1073309183.db2.gz PZEPEXHPDCUHNQ-UHFFFAOYSA-N 1 2 437.386 0.409 20 0 IBADLO COc1ccccc1N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448483978 1072816999 /nfs/dbraw/zinc/81/69/99/1072816999.db2.gz QEYIGDXQKKMNKI-UHFFFAOYSA-N 1 2 442.520 0.511 20 0 IBADLO CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448486756 1072817512 /nfs/dbraw/zinc/81/75/12/1072817512.db2.gz ZBALDVCBJINPFR-UHFFFAOYSA-N 1 2 428.493 0.220 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000448488467 1072817344 /nfs/dbraw/zinc/81/73/44/1072817344.db2.gz BGPSSPWXEFCQFG-UHFFFAOYSA-N 1 2 430.465 -0.269 20 0 IBADLO CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448488481 1073337526 /nfs/dbraw/zinc/33/75/26/1073337526.db2.gz RRTBZCDAKJREQN-UHFFFAOYSA-N 1 2 428.493 0.220 20 0 IBADLO O=C(NCCOc1ccc2c(c1)OCO2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448489952 1073326496 /nfs/dbraw/zinc/32/64/96/1073326496.db2.gz KYJYQEGVWFIZPJ-UHFFFAOYSA-N 1 2 431.449 0.078 20 0 IBADLO COc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(OC)c1OC ZINC000448490207 1072817980 /nfs/dbraw/zinc/81/79/80/1072817980.db2.gz AOHLMBSXHNJDIK-UHFFFAOYSA-N 1 2 447.492 0.496 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000448491874 1072818064 /nfs/dbraw/zinc/81/80/64/1072818064.db2.gz JLZYINGNFDKSMP-UHFFFAOYSA-N 1 2 433.538 -0.045 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000448492005 1072818244 /nfs/dbraw/zinc/81/82/44/1072818244.db2.gz XVYUTNBNOKIVLH-UHFFFAOYSA-N 1 2 430.465 -0.269 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000448493127 1072818011 /nfs/dbraw/zinc/81/80/11/1072818011.db2.gz SNLWWTZRXALKSI-UHFFFAOYSA-N 1 2 433.538 -0.045 20 0 IBADLO CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448493194 1073343911 /nfs/dbraw/zinc/34/39/11/1073343911.db2.gz TXJNDUNVSQVALB-UHFFFAOYSA-N 1 2 444.492 0.307 20 0 IBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)NCc1ccccc1 ZINC000448494444 1072818174 /nfs/dbraw/zinc/81/81/74/1072818174.db2.gz CULIUWZRISYSJW-INIZCTEOSA-N 1 2 428.493 -0.025 20 0 IBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)NCc1ccccc1 ZINC000448494445 1072818148 /nfs/dbraw/zinc/81/81/48/1072818148.db2.gz CULIUWZRISYSJW-MRXNPFEDSA-N 1 2 428.493 -0.025 20 0 IBADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NCc1ccccc1 ZINC000448494480 1072818252 /nfs/dbraw/zinc/81/82/52/1072818252.db2.gz DCGANFZZLKFJSE-INIZCTEOSA-N 1 2 428.493 -0.025 20 0 IBADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NCc1ccccc1 ZINC000448494481 1072817943 /nfs/dbraw/zinc/81/79/43/1072817943.db2.gz DCGANFZZLKFJSE-MRXNPFEDSA-N 1 2 428.493 -0.025 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448495023 1072820027 /nfs/dbraw/zinc/82/00/27/1072820027.db2.gz GPDFJCRDWKHYHY-KRWDZBQOSA-N 1 2 449.556 -0.787 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448495024 1072819879 /nfs/dbraw/zinc/81/98/79/1072819879.db2.gz GPDFJCRDWKHYHY-QGZVFWFLSA-N 1 2 449.556 -0.787 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000448495692 1072818814 /nfs/dbraw/zinc/81/88/14/1072818814.db2.gz LCDXQGBLWMGEFT-UHFFFAOYSA-N 1 2 441.492 -0.467 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000448496070 1072820387 /nfs/dbraw/zinc/82/03/87/1072820387.db2.gz NCBVUIAGIBNLND-UHFFFAOYSA-N 1 2 446.533 0.200 20 0 IBADLO O=C(NCCS(=O)(=O)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448496236 1073326938 /nfs/dbraw/zinc/32/69/38/1073326938.db2.gz NWULPGDIIRUVLD-UHFFFAOYSA-N 1 2 435.506 -0.256 20 0 IBADLO COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448496756 1073344180 /nfs/dbraw/zinc/34/41/80/1073344180.db2.gz RYJJRQPUFWXOSR-UHFFFAOYSA-N 1 2 444.492 -0.405 20 0 IBADLO Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448497117 1073342958 /nfs/dbraw/zinc/34/29/58/1073342958.db2.gz AFVUFFWMMWYADK-KRWDZBQOSA-N 1 2 431.493 0.018 20 0 IBADLO Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448497123 1073343107 /nfs/dbraw/zinc/34/31/07/1073343107.db2.gz AFVUFFWMMWYADK-QGZVFWFLSA-N 1 2 431.493 0.018 20 0 IBADLO Cc1csc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000448497392 1073348466 /nfs/dbraw/zinc/34/84/66/1073348466.db2.gz UXGLVLKQXCSRHR-UHFFFAOYSA-N 1 2 433.538 0.268 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc(Cl)cc1 ZINC000448497964 1073320378 /nfs/dbraw/zinc/32/03/78/1073320378.db2.gz WPDOBOCOHQKJDT-UHFFFAOYSA-N 1 2 434.884 0.562 20 0 IBADLO COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000448498027 1072820604 /nfs/dbraw/zinc/82/06/04/1072820604.db2.gz FBNLGMQJWSRZHK-UHFFFAOYSA-N 1 2 444.492 -0.405 20 0 IBADLO O=C(NCCS(=O)(=O)c1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448498449 1072820496 /nfs/dbraw/zinc/82/04/96/1072820496.db2.gz YGYFZLUBJVGPPH-UHFFFAOYSA-N 1 2 435.506 -0.256 20 0 IBADLO Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448498605 1072820626 /nfs/dbraw/zinc/82/06/26/1072820626.db2.gz HLDGCPLRXSBGRJ-UHFFFAOYSA-N 1 2 428.493 0.008 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1)N1CCCC1 ZINC000448499303 1073319895 /nfs/dbraw/zinc/31/98/95/1073319895.db2.gz OVSDMBPCCPDLSH-UHFFFAOYSA-N 1 2 430.431 0.541 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1)N1CCCC1 ZINC000448499303 1073319884 /nfs/dbraw/zinc/31/98/84/1073319884.db2.gz OVSDMBPCCPDLSH-UHFFFAOYSA-N 1 2 430.431 0.541 20 0 IBADLO COc1cc(OC)c(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(OC)c1 ZINC000448499464 1073342107 /nfs/dbraw/zinc/34/21/07/1073342107.db2.gz QUYODZVYJIGWCP-UHFFFAOYSA-N 1 2 447.492 0.496 20 0 IBADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448499622 1073311308 /nfs/dbraw/zinc/31/13/08/1073311308.db2.gz SMMCIZNBMMTASD-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448499908 1072820652 /nfs/dbraw/zinc/82/06/52/1072820652.db2.gz WIGGFPRCLMVDPV-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000448502559 1072821075 /nfs/dbraw/zinc/82/10/75/1072821075.db2.gz CHEBWXNVCJMNCU-UHFFFAOYSA-N 1 2 432.447 0.250 20 0 IBADLO O=C(NC[C@H](O)COc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448502964 1072821108 /nfs/dbraw/zinc/82/11/08/1072821108.db2.gz IOOSZLUTFCUFAY-INIZCTEOSA-N 1 2 435.456 -0.151 20 0 IBADLO O=C(NC[C@@H](O)COc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448502965 1072821223 /nfs/dbraw/zinc/82/12/23/1072821223.db2.gz IOOSZLUTFCUFAY-MRXNPFEDSA-N 1 2 435.456 -0.151 20 0 IBADLO COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448503529 1073343486 /nfs/dbraw/zinc/34/34/86/1073343486.db2.gz DHDLKIZCIIJUFG-UHFFFAOYSA-N 1 2 444.492 -0.291 20 0 IBADLO NC(=O)c1ccc(CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C2CC2)cc1 ZINC000448504407 1073317938 /nfs/dbraw/zinc/31/79/38/1073317938.db2.gz IOIIEJCQQJQGBT-UHFFFAOYSA-N 1 2 440.504 0.444 20 0 IBADLO COc1ccc(OC)c(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448505407 1072821706 /nfs/dbraw/zinc/82/17/06/1072821706.db2.gz OAEKZGRQZGGIPD-UHFFFAOYSA-N 1 2 431.493 0.530 20 0 IBADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448505796 1073325435 /nfs/dbraw/zinc/32/54/35/1073325435.db2.gz YLVCKDMPGWQQLQ-UHFFFAOYSA-N 1 2 432.550 0.390 20 0 IBADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448505796 1073325422 /nfs/dbraw/zinc/32/54/22/1073325422.db2.gz YLVCKDMPGWQQLQ-UHFFFAOYSA-N 1 2 432.550 0.390 20 0 IBADLO CCCCn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448506134 1073188068 /nfs/dbraw/zinc/18/80/68/1073188068.db2.gz SGTLCRTVKOBHLA-UHFFFAOYSA-N 1 2 441.558 -0.742 20 0 IBADLO O=C(NC[C@H](O)COc1ccc(F)cc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448506173 1072821533 /nfs/dbraw/zinc/82/15/33/1072821533.db2.gz SSYWNXZCZWKJJV-KRWDZBQOSA-N 1 2 435.456 -0.151 20 0 IBADLO O=C(NC[C@@H](O)COc1ccc(F)cc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448506174 1072821687 /nfs/dbraw/zinc/82/16/87/1072821687.db2.gz SSYWNXZCZWKJJV-QGZVFWFLSA-N 1 2 435.456 -0.151 20 0 IBADLO COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000448506351 1072821669 /nfs/dbraw/zinc/82/16/69/1072821669.db2.gz VHITYGNKIFVOIY-UHFFFAOYSA-N 1 2 444.492 -0.291 20 0 IBADLO O=C(NCCNC(=O)c1ccc(O)cc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448506376 1072821826 /nfs/dbraw/zinc/82/18/26/1072821826.db2.gz VPKFGFURDWZWPH-UHFFFAOYSA-N 1 2 430.465 -0.594 20 0 IBADLO CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448506632 1072821752 /nfs/dbraw/zinc/82/17/52/1072821752.db2.gz XFDYKQORBORHIT-UHFFFAOYSA-N 1 2 441.558 -0.886 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000448507223 1072821647 /nfs/dbraw/zinc/82/16/47/1072821647.db2.gz FNDUFPROFPLHHY-UHFFFAOYSA-N 1 2 433.538 0.349 20 0 IBADLO COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448509415 1073348148 /nfs/dbraw/zinc/34/81/48/1073348148.db2.gz DFPKKUDMNXEMTF-UHFFFAOYSA-N 1 2 444.492 -0.291 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000448510199 1072819826 /nfs/dbraw/zinc/81/98/26/1072819826.db2.gz MZSSJPWVNAWNSF-GOSISDBHSA-N 1 2 440.504 0.071 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000448510200 1072820018 /nfs/dbraw/zinc/82/00/18/1072820018.db2.gz MZSSJPWVNAWNSF-SFHVURJKSA-N 1 2 440.504 0.071 20 0 IBADLO COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000448510266 1072819988 /nfs/dbraw/zinc/81/99/88/1072819988.db2.gz NNKLOOWWOZTKAF-UHFFFAOYSA-N 1 2 444.492 -0.291 20 0 IBADLO O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448510315 1073325615 /nfs/dbraw/zinc/32/56/15/1073325615.db2.gz OCVAPKLLBOHKDY-UHFFFAOYSA-N 1 2 448.911 0.353 20 0 IBADLO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448510878 1072819962 /nfs/dbraw/zinc/81/99/62/1072819962.db2.gz QJYYXVCCVFBVEZ-UHFFFAOYSA-N 1 2 440.460 -0.434 20 0 IBADLO O=C(NCC[C@@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448511562 1072820044 /nfs/dbraw/zinc/82/00/44/1072820044.db2.gz UXOUPOWMUAEQCE-INIZCTEOSA-N 1 2 426.477 0.396 20 0 IBADLO O=C(NCC[C@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448511563 1072819975 /nfs/dbraw/zinc/81/99/75/1072819975.db2.gz UXOUPOWMUAEQCE-MRXNPFEDSA-N 1 2 426.477 0.396 20 0 IBADLO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448512245 1072819857 /nfs/dbraw/zinc/81/98/57/1072819857.db2.gz YSEOTTGOZFKUMQ-UHFFFAOYSA-N 1 2 449.533 0.134 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000448513408 1072819930 /nfs/dbraw/zinc/81/99/30/1072819930.db2.gz QLTQIWLEJMVBKY-UHFFFAOYSA-N 1 2 446.552 0.405 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000448515244 1072819951 /nfs/dbraw/zinc/81/99/51/1072819951.db2.gz PGUATJGSGOMMOX-UHFFFAOYSA-N 1 2 447.927 0.551 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448523726 1072822231 /nfs/dbraw/zinc/82/22/31/1072822231.db2.gz ZGLPIUNCCMYRLM-UHFFFAOYSA-N 1 2 445.509 -0.432 20 0 IBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H](C)O1 ZINC000448528227 1072822148 /nfs/dbraw/zinc/82/21/48/1072822148.db2.gz GZFPEHXEQUMDFD-CALCHBBNSA-N 1 2 436.557 0.158 20 0 IBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H](C)O1 ZINC000448528227 1072822138 /nfs/dbraw/zinc/82/21/38/1072822138.db2.gz GZFPEHXEQUMDFD-CALCHBBNSA-N 1 2 436.557 0.158 20 0 IBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H](C)O1 ZINC000448528228 1072822309 /nfs/dbraw/zinc/82/23/09/1072822309.db2.gz GZFPEHXEQUMDFD-IAGOWNOFSA-N 1 2 436.557 0.158 20 0 IBADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H](C)O1 ZINC000448528229 1072822203 /nfs/dbraw/zinc/82/22/03/1072822203.db2.gz GZFPEHXEQUMDFD-IRXDYDNUSA-N 1 2 436.557 0.158 20 0 IBADLO COc1ccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1OC ZINC000448528497 1073343856 /nfs/dbraw/zinc/34/38/56/1073343856.db2.gz IMDLKOWZXPGAAZ-UHFFFAOYSA-N 1 2 431.493 0.530 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCOCC1 ZINC000448530896 1073316910 /nfs/dbraw/zinc/31/69/10/1073316910.db2.gz GNYWZBSDRJBHOD-GOSISDBHSA-N 1 2 436.557 0.017 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCOCC1 ZINC000448530905 1073316895 /nfs/dbraw/zinc/31/68/95/1073316895.db2.gz GNYWZBSDRJBHOD-SFHVURJKSA-N 1 2 436.557 0.017 20 0 IBADLO O=C(NCc1ccnc(N2CCCC2)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448532088 1072822972 /nfs/dbraw/zinc/82/29/72/1072822972.db2.gz XDQYKWQHTYEXRD-UHFFFAOYSA-N 1 2 427.509 0.465 20 0 IBADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1F ZINC000448535148 1072823133 /nfs/dbraw/zinc/82/31/33/1072823133.db2.gz QDRPKAOXSYKVOO-UHFFFAOYSA-N 1 2 446.483 0.148 20 0 IBADLO CN(C)c1noc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000460124837 1072981476 /nfs/dbraw/zinc/98/14/76/1072981476.db2.gz MNXNJCUKOKLHSR-UHFFFAOYSA-N 1 2 438.514 -0.518 20 0 IBADLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460130995 1072981781 /nfs/dbraw/zinc/98/17/81/1072981781.db2.gz ZEYZDECSAVYPFR-LSDHHAIUSA-N 1 2 445.567 -0.734 20 0 IBADLO COCCOCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460131024 1072981878 /nfs/dbraw/zinc/98/18/78/1072981878.db2.gz ZJNIBEUXIGTYHE-UHFFFAOYSA-N 1 2 429.543 -0.162 20 0 IBADLO O=C(NCCCn1cc(CO)nn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000460219979 1072985743 /nfs/dbraw/zinc/98/57/43/1072985743.db2.gz FSMSOGZTBJJRMQ-INIZCTEOSA-N 1 2 445.528 -0.245 20 0 IBADLO O=C(NCCCn1cc(CO)nn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000460219979 1072985735 /nfs/dbraw/zinc/98/57/35/1072985735.db2.gz FSMSOGZTBJJRMQ-INIZCTEOSA-N 1 2 445.528 -0.245 20 0 IBADLO O=C(NCCCn1cc(CO)nn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000460219988 1072985640 /nfs/dbraw/zinc/98/56/40/1072985640.db2.gz FSMSOGZTBJJRMQ-MRXNPFEDSA-N 1 2 445.528 -0.245 20 0 IBADLO O=C(NCCCn1cc(CO)nn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000460219988 1072985635 /nfs/dbraw/zinc/98/56/35/1072985635.db2.gz FSMSOGZTBJJRMQ-MRXNPFEDSA-N 1 2 445.528 -0.245 20 0 IBADLO CN(C)C(=O)NCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460243788 1072986909 /nfs/dbraw/zinc/98/69/09/1072986909.db2.gz ACCZSTNNJNOIMB-UHFFFAOYSA-N 1 2 441.558 -0.554 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460331108 1073000903 /nfs/dbraw/zinc/00/09/03/1073000903.db2.gz WGDCLFUUZZEABB-SFHVURJKSA-N 1 2 445.586 -0.466 20 0 IBADLO CCn1c(=O)c(C(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)c(N)n(Cc2ccccc2)c1=O ZINC000460356530 1073002313 /nfs/dbraw/zinc/00/23/13/1073002313.db2.gz BINQVBJZYOSEKY-INIZCTEOSA-N 1 2 426.477 -0.100 20 0 IBADLO CCn1c(=O)c(C(=O)C[NH2+][C@H](CO)c2cnn(C)c2)c(N)n(Cc2ccccc2)c1=O ZINC000460356531 1073002264 /nfs/dbraw/zinc/00/22/64/1073002264.db2.gz BINQVBJZYOSEKY-MRXNPFEDSA-N 1 2 426.477 -0.100 20 0 IBADLO Cc1cccc(F)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000460586399 1071336172 /nfs/dbraw/zinc/33/61/72/1071336172.db2.gz WWYHARUDLVLNBD-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO COc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000460590265 1071336083 /nfs/dbraw/zinc/33/60/83/1071336083.db2.gz ZYNFGDUWGVTPIJ-UHFFFAOYSA-N 1 2 449.493 -0.913 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ncn1 ZINC000460607742 1073120365 /nfs/dbraw/zinc/12/03/65/1073120365.db2.gz HVPIMWZDTXSIFB-UHFFFAOYSA-N 1 2 428.453 -0.601 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ncn1 ZINC000460607742 1073120361 /nfs/dbraw/zinc/12/03/61/1073120361.db2.gz HVPIMWZDTXSIFB-UHFFFAOYSA-N 1 2 428.453 -0.601 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ncn1 ZINC000460616691 1073121075 /nfs/dbraw/zinc/12/10/75/1073121075.db2.gz XWZHISZXASEKIH-AWEZNQCLSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ncn1 ZINC000460616691 1073121071 /nfs/dbraw/zinc/12/10/71/1073121071.db2.gz XWZHISZXASEKIH-AWEZNQCLSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ncn1 ZINC000460616692 1073120970 /nfs/dbraw/zinc/12/09/70/1073120970.db2.gz XWZHISZXASEKIH-CQSZACIVSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ncn1 ZINC000460616692 1073120960 /nfs/dbraw/zinc/12/09/60/1073120960.db2.gz XWZHISZXASEKIH-CQSZACIVSA-N 1 2 442.480 -0.165 20 0 IBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1-n1cncn1 ZINC000460771906 1071343549 /nfs/dbraw/zinc/34/35/49/1071343549.db2.gz PIXNTRKPKRRVHQ-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460774824 1073127259 /nfs/dbraw/zinc/12/72/59/1073127259.db2.gz YULIMZRXROOVKW-AWEZNQCLSA-N 1 2 428.559 -0.626 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460774824 1073127250 /nfs/dbraw/zinc/12/72/50/1073127250.db2.gz YULIMZRXROOVKW-AWEZNQCLSA-N 1 2 428.559 -0.626 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460774825 1073127117 /nfs/dbraw/zinc/12/71/17/1073127117.db2.gz YULIMZRXROOVKW-CQSZACIVSA-N 1 2 428.559 -0.626 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460774825 1073127106 /nfs/dbraw/zinc/12/71/06/1073127106.db2.gz YULIMZRXROOVKW-CQSZACIVSA-N 1 2 428.559 -0.626 20 0 IBADLO Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000460776092 1073126983 /nfs/dbraw/zinc/12/69/83/1073126983.db2.gz BLUHQJZJMBPNLL-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000460782587 1073127847 /nfs/dbraw/zinc/12/78/47/1073127847.db2.gz WCAQWFQEESFTPO-HNNXBMFYSA-N 1 2 426.587 -0.148 20 0 IBADLO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000460782588 1073127765 /nfs/dbraw/zinc/12/77/65/1073127765.db2.gz WCAQWFQEESFTPO-OAHLLOKOSA-N 1 2 426.587 -0.148 20 0 IBADLO Cn1nnnc1-c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000460825307 1073129092 /nfs/dbraw/zinc/12/90/92/1073129092.db2.gz WOAKGMOOUKGAKL-UHFFFAOYSA-N 1 2 433.498 -0.448 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000460880923 1073132319 /nfs/dbraw/zinc/13/23/19/1073132319.db2.gz LBQRUDVYNGUDIH-AWEZNQCLSA-N 1 2 439.542 -0.129 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000460880932 1073132221 /nfs/dbraw/zinc/13/22/21/1073132221.db2.gz LBQRUDVYNGUDIH-CQSZACIVSA-N 1 2 439.542 -0.129 20 0 IBADLO COc1cc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)ncn1 ZINC000460925424 1073136360 /nfs/dbraw/zinc/13/63/60/1073136360.db2.gz IKEJOWIBECUDTI-UHFFFAOYSA-N 1 2 427.513 -0.071 20 0 IBADLO CO[C@@]1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000460926422 1073136325 /nfs/dbraw/zinc/13/63/25/1073136325.db2.gz KMMOMGFCMLNLJI-GOSISDBHSA-N 1 2 427.527 -0.362 20 0 IBADLO CO[C@]1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000460926423 1073136443 /nfs/dbraw/zinc/13/64/43/1073136443.db2.gz KMMOMGFCMLNLJI-SFHVURJKSA-N 1 2 427.527 -0.362 20 0 IBADLO COc1c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)nn1C ZINC000460994530 1073141245 /nfs/dbraw/zinc/14/12/45/1073141245.db2.gz WWBCQGSBPRVYPH-UHFFFAOYSA-N 1 2 429.547 -0.943 20 0 IBADLO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000460994904 1073141260 /nfs/dbraw/zinc/14/12/60/1073141260.db2.gz XRKNZPUMJRFDMC-AWEZNQCLSA-N 1 2 426.543 -0.274 20 0 IBADLO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000460994904 1073141259 /nfs/dbraw/zinc/14/12/59/1073141259.db2.gz XRKNZPUMJRFDMC-AWEZNQCLSA-N 1 2 426.543 -0.274 20 0 IBADLO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000460994905 1073141267 /nfs/dbraw/zinc/14/12/67/1073141267.db2.gz XRKNZPUMJRFDMC-CQSZACIVSA-N 1 2 426.543 -0.274 20 0 IBADLO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000460994905 1073141265 /nfs/dbraw/zinc/14/12/65/1073141265.db2.gz XRKNZPUMJRFDMC-CQSZACIVSA-N 1 2 426.543 -0.274 20 0 IBADLO COc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1N1CCNC1=O ZINC000461045331 1073143344 /nfs/dbraw/zinc/14/33/44/1073143344.db2.gz QFHNSTLIFBNGAB-INIZCTEOSA-N 1 2 431.493 -0.112 20 0 IBADLO COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1N1CCNC1=O ZINC000461045338 1073143381 /nfs/dbraw/zinc/14/33/81/1073143381.db2.gz QFHNSTLIFBNGAB-MRXNPFEDSA-N 1 2 431.493 -0.112 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000461053195 1073143922 /nfs/dbraw/zinc/14/39/22/1073143922.db2.gz NUULCGADJKDNOD-MOPGFXCFSA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000461053196 1073143834 /nfs/dbraw/zinc/14/38/34/1073143834.db2.gz NUULCGADJKDNOD-OALUTQOASA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000461053197 1073143888 /nfs/dbraw/zinc/14/38/88/1073143888.db2.gz NUULCGADJKDNOD-RBUKOAKNSA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000461053198 1073143952 /nfs/dbraw/zinc/14/39/52/1073143952.db2.gz NUULCGADJKDNOD-RTBURBONSA-N 1 2 429.521 -0.017 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000461106250 1073146632 /nfs/dbraw/zinc/14/66/32/1073146632.db2.gz FVRSPVFTNMWSGY-AWEZNQCLSA-N 1 2 439.542 -0.129 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000461106251 1073146569 /nfs/dbraw/zinc/14/65/69/1073146569.db2.gz FVRSPVFTNMWSGY-CQSZACIVSA-N 1 2 439.542 -0.129 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461317074 1073154220 /nfs/dbraw/zinc/15/42/20/1073154220.db2.gz IGESJRWMDQSEKA-INIZCTEOSA-N 1 2 428.559 -0.176 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461317074 1073154217 /nfs/dbraw/zinc/15/42/17/1073154217.db2.gz IGESJRWMDQSEKA-INIZCTEOSA-N 1 2 428.559 -0.176 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461317075 1073154249 /nfs/dbraw/zinc/15/42/49/1073154249.db2.gz IGESJRWMDQSEKA-MRXNPFEDSA-N 1 2 428.559 -0.176 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461317075 1073154245 /nfs/dbraw/zinc/15/42/45/1073154245.db2.gz IGESJRWMDQSEKA-MRXNPFEDSA-N 1 2 428.559 -0.176 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000461379433 1073157060 /nfs/dbraw/zinc/15/70/60/1073157060.db2.gz ZRHJZRACDINCPW-IBGZPJMESA-N 1 2 443.522 -0.262 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000461379433 1073157056 /nfs/dbraw/zinc/15/70/56/1073157056.db2.gz ZRHJZRACDINCPW-IBGZPJMESA-N 1 2 443.522 -0.262 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000461379434 1073156916 /nfs/dbraw/zinc/15/69/16/1073156916.db2.gz ZRHJZRACDINCPW-LJQANCHMSA-N 1 2 443.522 -0.262 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CCOC2)cc1S(=O)(=O)N1CCOCC1 ZINC000461379434 1073156911 /nfs/dbraw/zinc/15/69/11/1073156911.db2.gz ZRHJZRACDINCPW-LJQANCHMSA-N 1 2 443.522 -0.262 20 0 IBADLO CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000461444905 1073157580 /nfs/dbraw/zinc/15/75/80/1073157580.db2.gz FTBYQOCGKQKEAP-CYBMUJFWSA-N 1 2 426.495 -0.581 20 0 IBADLO CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000461444913 1073158006 /nfs/dbraw/zinc/15/80/06/1073158006.db2.gz FTBYQOCGKQKEAP-ZDUSSCGKSA-N 1 2 426.495 -0.581 20 0 IBADLO COc1cc(OC)cc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000461650932 1073163851 /nfs/dbraw/zinc/16/38/51/1073163851.db2.gz VWLILGPMUDZNAZ-INIZCTEOSA-N 1 2 434.493 -0.517 20 0 IBADLO COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000461650937 1073163897 /nfs/dbraw/zinc/16/38/97/1073163897.db2.gz VWLILGPMUDZNAZ-MRXNPFEDSA-N 1 2 434.493 -0.517 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)ncn1 ZINC000461768834 1073167766 /nfs/dbraw/zinc/16/77/66/1073167766.db2.gz QGXZGRQWHQBWIW-UHFFFAOYSA-N 1 2 444.496 -0.699 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000461825386 1073171787 /nfs/dbraw/zinc/17/17/87/1073171787.db2.gz DBQPKFLQJRVROT-KRWDZBQOSA-N 1 2 431.559 -0.856 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000461825389 1073171804 /nfs/dbraw/zinc/17/18/04/1073171804.db2.gz DBQPKFLQJRVROT-QGZVFWFLSA-N 1 2 431.559 -0.856 20 0 IBADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461958233 1073174449 /nfs/dbraw/zinc/17/44/49/1073174449.db2.gz MKCCXXQDCYDFQP-HNNXBMFYSA-N 1 2 430.552 -0.520 20 0 IBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461958233 1073174448 /nfs/dbraw/zinc/17/44/48/1073174448.db2.gz MKCCXXQDCYDFQP-HNNXBMFYSA-N 1 2 430.552 -0.520 20 0 IBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461958236 1073174521 /nfs/dbraw/zinc/17/45/21/1073174521.db2.gz MKCCXXQDCYDFQP-OAHLLOKOSA-N 1 2 430.552 -0.520 20 0 IBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461958236 1073174519 /nfs/dbraw/zinc/17/45/19/1073174519.db2.gz MKCCXXQDCYDFQP-OAHLLOKOSA-N 1 2 430.552 -0.520 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c2)CC1 ZINC000461978147 1073176151 /nfs/dbraw/zinc/17/61/51/1073176151.db2.gz QNCZUUQMTSIPLW-UHFFFAOYSA-N 1 2 434.522 -0.222 20 0 IBADLO Cn1c[nH+]cc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000461992544 1071432462 /nfs/dbraw/zinc/43/24/62/1071432462.db2.gz WQIOJJJKIXHEPP-UHFFFAOYSA-N 1 2 442.523 -0.716 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c[nH]1 ZINC000462028538 1073183228 /nfs/dbraw/zinc/18/32/28/1073183228.db2.gz XGXFGHGMXLBGFZ-UHFFFAOYSA-N 1 2 430.490 -0.004 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000462034060 1073180756 /nfs/dbraw/zinc/18/07/56/1073180756.db2.gz BMMXUEMEDLONNL-KRWDZBQOSA-N 1 2 443.504 -0.413 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000462034060 1073180750 /nfs/dbraw/zinc/18/07/50/1073180750.db2.gz BMMXUEMEDLONNL-KRWDZBQOSA-N 1 2 443.504 -0.413 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000462034061 1073180731 /nfs/dbraw/zinc/18/07/31/1073180731.db2.gz BMMXUEMEDLONNL-QGZVFWFLSA-N 1 2 443.504 -0.413 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000462034061 1073180728 /nfs/dbraw/zinc/18/07/28/1073180728.db2.gz BMMXUEMEDLONNL-QGZVFWFLSA-N 1 2 443.504 -0.413 20 0 IBADLO Cc1cc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000462048617 1073183762 /nfs/dbraw/zinc/18/37/62/1073183762.db2.gz TXDIPTDBGKDTBS-UHFFFAOYSA-N 1 2 449.537 -0.037 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c[nH]1 ZINC000462051491 1073184085 /nfs/dbraw/zinc/18/40/85/1073184085.db2.gz GABJPPIMPUIBPL-UHFFFAOYSA-N 1 2 435.506 -0.460 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000462063177 1073184660 /nfs/dbraw/zinc/18/46/60/1073184660.db2.gz ZZXBWNCOONWRAA-HNNXBMFYSA-N 1 2 435.506 -0.591 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000462063177 1073184651 /nfs/dbraw/zinc/18/46/51/1073184651.db2.gz ZZXBWNCOONWRAA-HNNXBMFYSA-N 1 2 435.506 -0.591 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000462063178 1073185313 /nfs/dbraw/zinc/18/53/13/1073185313.db2.gz ZZXBWNCOONWRAA-OAHLLOKOSA-N 1 2 435.506 -0.591 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000462063178 1073185311 /nfs/dbraw/zinc/18/53/11/1073185311.db2.gz ZZXBWNCOONWRAA-OAHLLOKOSA-N 1 2 435.506 -0.591 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462118558 1073188735 /nfs/dbraw/zinc/18/87/35/1073188735.db2.gz OAIOGVQTLQNMCC-GOSISDBHSA-N 1 2 429.521 -0.616 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462118559 1073188800 /nfs/dbraw/zinc/18/88/00/1073188800.db2.gz OAIOGVQTLQNMCC-SFHVURJKSA-N 1 2 429.521 -0.616 20 0 IBADLO COC(=O)Cn1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000462253933 1072446258 /nfs/dbraw/zinc/44/62/58/1072446258.db2.gz FXPACSCUSGADHI-UHFFFAOYSA-N 1 2 436.494 -0.532 20 0 IBADLO CCOCc1nc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000462304171 1072449899 /nfs/dbraw/zinc/44/98/99/1072449899.db2.gz CQAZRSDILTVYPL-AWEZNQCLSA-N 1 2 445.546 -0.514 20 0 IBADLO CCOCc1nc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000462304172 1072449881 /nfs/dbraw/zinc/44/98/81/1072449881.db2.gz CQAZRSDILTVYPL-CQSZACIVSA-N 1 2 445.546 -0.514 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000462332077 1072451718 /nfs/dbraw/zinc/45/17/18/1072451718.db2.gz LTPOOZYJYXGZKF-HDEZJCGLSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000462332077 1072451715 /nfs/dbraw/zinc/45/17/15/1072451715.db2.gz LTPOOZYJYXGZKF-HDEZJCGLSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC000462332082 1072451708 /nfs/dbraw/zinc/45/17/08/1072451708.db2.gz LTPOOZYJYXGZKF-TXCZRRACSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC000462332082 1072451707 /nfs/dbraw/zinc/45/17/07/1072451707.db2.gz LTPOOZYJYXGZKF-TXCZRRACSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000462333926 1072452241 /nfs/dbraw/zinc/45/22/41/1072452241.db2.gz PJHFIXKDDFDHGL-CVEARBPZSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000462333926 1072452238 /nfs/dbraw/zinc/45/22/38/1072452238.db2.gz PJHFIXKDDFDHGL-CVEARBPZSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@@H](C)CO1 ZINC000462333931 1072452201 /nfs/dbraw/zinc/45/22/01/1072452201.db2.gz PJHFIXKDDFDHGL-HOTGVXAUSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462333931 1072452197 /nfs/dbraw/zinc/45/21/97/1072452197.db2.gz PJHFIXKDDFDHGL-HOTGVXAUSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@H](C)CO1 ZINC000462333932 1072452113 /nfs/dbraw/zinc/45/21/13/1072452113.db2.gz PJHFIXKDDFDHGL-HZPDHXFCSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@H](C)CO1 ZINC000462333932 1072452110 /nfs/dbraw/zinc/45/21/10/1072452110.db2.gz PJHFIXKDDFDHGL-HZPDHXFCSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@@H](C)CO1 ZINC000462333933 1072452214 /nfs/dbraw/zinc/45/22/14/1072452214.db2.gz PJHFIXKDDFDHGL-JKSUJKDBSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462333933 1072452211 /nfs/dbraw/zinc/45/22/11/1072452211.db2.gz PJHFIXKDDFDHGL-JKSUJKDBSA-N 1 2 426.543 -0.211 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCOCC1 ZINC000462339334 1072453742 /nfs/dbraw/zinc/45/37/42/1072453742.db2.gz IPZNCGNIGQFIKI-GJZGRUSLSA-N 1 2 429.495 -0.918 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCOCC1 ZINC000462339334 1072453736 /nfs/dbraw/zinc/45/37/36/1072453736.db2.gz IPZNCGNIGQFIKI-GJZGRUSLSA-N 1 2 429.495 -0.918 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCOCC1 ZINC000462339336 1072453847 /nfs/dbraw/zinc/45/38/47/1072453847.db2.gz IPZNCGNIGQFIKI-LSDHHAIUSA-N 1 2 429.495 -0.918 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCOCC1 ZINC000462339336 1072453839 /nfs/dbraw/zinc/45/38/39/1072453839.db2.gz IPZNCGNIGQFIKI-LSDHHAIUSA-N 1 2 429.495 -0.918 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000462355412 1072454302 /nfs/dbraw/zinc/45/43/02/1072454302.db2.gz FMVKWTUHCMGGBS-DLBZAZTESA-N 1 2 445.520 -0.004 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000462355412 1072454293 /nfs/dbraw/zinc/45/42/93/1072454293.db2.gz FMVKWTUHCMGGBS-DLBZAZTESA-N 1 2 445.520 -0.004 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000462355417 1072454506 /nfs/dbraw/zinc/45/45/06/1072454506.db2.gz FMVKWTUHCMGGBS-IRXDYDNUSA-N 1 2 445.520 -0.004 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000462355417 1072454498 /nfs/dbraw/zinc/45/44/98/1072454498.db2.gz FMVKWTUHCMGGBS-IRXDYDNUSA-N 1 2 445.520 -0.004 20 0 IBADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000462356422 1072454532 /nfs/dbraw/zinc/45/45/32/1072454532.db2.gz QVPBFDSKMSOSOB-KBPBESRZSA-N 1 2 433.914 -0.273 20 0 IBADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000462356422 1072454524 /nfs/dbraw/zinc/45/45/24/1072454524.db2.gz QVPBFDSKMSOSOB-KBPBESRZSA-N 1 2 433.914 -0.273 20 0 IBADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000462356426 1072454326 /nfs/dbraw/zinc/45/43/26/1072454326.db2.gz QVPBFDSKMSOSOB-UONOGXRCSA-N 1 2 433.914 -0.273 20 0 IBADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000462356426 1072454323 /nfs/dbraw/zinc/45/43/23/1072454323.db2.gz QVPBFDSKMSOSOB-UONOGXRCSA-N 1 2 433.914 -0.273 20 0 IBADLO COC(=O)Cn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC000462365882 1072456260 /nfs/dbraw/zinc/45/62/60/1072456260.db2.gz GTCBUOLZNAKJKM-UHFFFAOYSA-N 1 2 445.523 -0.303 20 0 IBADLO Cn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cc1C(N)=O ZINC000462367909 1072456190 /nfs/dbraw/zinc/45/61/90/1072456190.db2.gz LHBVFMUSYXZHKM-UHFFFAOYSA-N 1 2 429.524 -0.235 20 0 IBADLO O=S(=O)(CC1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462431062 1072459806 /nfs/dbraw/zinc/45/98/06/1072459806.db2.gz WRLSJPSYPGJJSN-UHFFFAOYSA-N 1 2 432.568 -0.121 20 0 IBADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462431468 1072459763 /nfs/dbraw/zinc/45/97/63/1072459763.db2.gz XIIKTJLEZLHEME-CVEARBPZSA-N 1 2 447.583 -0.523 20 0 IBADLO C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462431469 1072459677 /nfs/dbraw/zinc/45/96/77/1072459677.db2.gz XIIKTJLEZLHEME-HOTGVXAUSA-N 1 2 447.583 -0.523 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000462431470 1072459629 /nfs/dbraw/zinc/45/96/29/1072459629.db2.gz XIIKTJLEZLHEME-HZPDHXFCSA-N 1 2 447.583 -0.523 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462431471 1072459618 /nfs/dbraw/zinc/45/96/18/1072459618.db2.gz XIIKTJLEZLHEME-JKSUJKDBSA-N 1 2 447.583 -0.523 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462692191 1072471110 /nfs/dbraw/zinc/47/11/10/1072471110.db2.gz NZIQLTZUHRZVEL-AWEZNQCLSA-N 1 2 436.556 -0.424 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462692192 1072471090 /nfs/dbraw/zinc/47/10/90/1072471090.db2.gz NZIQLTZUHRZVEL-CQSZACIVSA-N 1 2 436.556 -0.424 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCNS(=O)(=O)CC ZINC000462693690 1072471466 /nfs/dbraw/zinc/47/14/66/1072471466.db2.gz YLEWNNAYTDEPDY-AWEZNQCLSA-N 1 2 433.618 -0.914 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCNS(=O)(=O)CC ZINC000462693691 1072471571 /nfs/dbraw/zinc/47/15/71/1072471571.db2.gz YLEWNNAYTDEPDY-CQSZACIVSA-N 1 2 433.618 -0.914 20 0 IBADLO O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462752757 1072473546 /nfs/dbraw/zinc/47/35/46/1072473546.db2.gz IFNTZOSYZWIFBA-KRWDZBQOSA-N 1 2 435.500 -0.146 20 0 IBADLO O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462752758 1072473673 /nfs/dbraw/zinc/47/36/73/1072473673.db2.gz IFNTZOSYZWIFBA-QGZVFWFLSA-N 1 2 435.500 -0.146 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)CC2 ZINC000462956717 1072481555 /nfs/dbraw/zinc/48/15/55/1072481555.db2.gz HQQYJDRCJGXGKX-UHFFFAOYSA-N 1 2 445.545 -0.187 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)CC2 ZINC000462956717 1072481551 /nfs/dbraw/zinc/48/15/51/1072481551.db2.gz HQQYJDRCJGXGKX-UHFFFAOYSA-N 1 2 445.545 -0.187 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000462961138 1073334110 /nfs/dbraw/zinc/33/41/10/1073334110.db2.gz YRUWRXHJZHXKIF-UHFFFAOYSA-N 1 2 426.477 0.029 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000462962042 1073333882 /nfs/dbraw/zinc/33/38/82/1073333882.db2.gz HLNKBBMYUVPRIE-UHFFFAOYSA-N 1 2 444.467 0.168 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3F)CC1)CC2 ZINC000462970165 1072482131 /nfs/dbraw/zinc/48/21/31/1072482131.db2.gz DJSQNUJMFHBMTJ-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3F)CC1)CC2 ZINC000462970165 1072482125 /nfs/dbraw/zinc/48/21/25/1072482125.db2.gz DJSQNUJMFHBMTJ-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2 ZINC000462974849 1072482216 /nfs/dbraw/zinc/48/22/16/1072482216.db2.gz SJHQPWOBTQYFDB-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2 ZINC000462974849 1072482210 /nfs/dbraw/zinc/48/22/10/1072482210.db2.gz SJHQPWOBTQYFDB-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(C(=O)N3CCOCC3)cc1)CC2 ZINC000462975581 1072481981 /nfs/dbraw/zinc/48/19/81/1072481981.db2.gz YHCXIBDYEWEYQK-UHFFFAOYSA-N 1 2 425.489 -0.073 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(C(=O)N3CCOCC3)cc1)CC2 ZINC000462975581 1072481974 /nfs/dbraw/zinc/48/19/74/1072481974.db2.gz YHCXIBDYEWEYQK-UHFFFAOYSA-N 1 2 425.489 -0.073 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)[nH]c1=O ZINC000462976991 1072482845 /nfs/dbraw/zinc/48/28/45/1072482845.db2.gz CZFYNQWYMWJBEB-UHFFFAOYSA-N 1 2 431.497 -0.164 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)[nH]c1=O ZINC000462976991 1072482842 /nfs/dbraw/zinc/48/28/42/1072482842.db2.gz CZFYNQWYMWJBEB-UHFFFAOYSA-N 1 2 431.497 -0.164 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)CC2 ZINC000462977175 1072482180 /nfs/dbraw/zinc/48/21/80/1072482180.db2.gz OFFJUYMFQRNHNO-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)CC2 ZINC000462977175 1072482173 /nfs/dbraw/zinc/48/21/73/1072482173.db2.gz OFFJUYMFQRNHNO-UHFFFAOYSA-N 1 2 449.508 -0.189 20 0 IBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)CC2 ZINC000462978777 1072482818 /nfs/dbraw/zinc/48/28/18/1072482818.db2.gz WFWQDSMTNAMZEB-UHFFFAOYSA-N 1 2 431.518 -0.329 20 0 IBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)CC2 ZINC000462978777 1072482814 /nfs/dbraw/zinc/48/28/14/1072482814.db2.gz WFWQDSMTNAMZEB-UHFFFAOYSA-N 1 2 431.518 -0.329 20 0 IBADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462996212 1072482702 /nfs/dbraw/zinc/48/27/02/1072482702.db2.gz VUKFTIYYKZJURN-GOSISDBHSA-N 1 2 429.521 -0.262 20 0 IBADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462996213 1072482628 /nfs/dbraw/zinc/48/26/28/1072482628.db2.gz VUKFTIYYKZJURN-SFHVURJKSA-N 1 2 429.521 -0.262 20 0 IBADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1COC[C@H]1O ZINC000463073182 1072484672 /nfs/dbraw/zinc/48/46/72/1072484672.db2.gz YDMNFOIXYSUJAJ-HUUCEWRRSA-N 1 2 433.914 -0.009 20 0 IBADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1COC[C@H]1O ZINC000463073182 1072484666 /nfs/dbraw/zinc/48/46/66/1072484666.db2.gz YDMNFOIXYSUJAJ-HUUCEWRRSA-N 1 2 433.914 -0.009 20 0 IBADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1COC[C@H]1O ZINC000463073189 1072484704 /nfs/dbraw/zinc/48/47/04/1072484704.db2.gz YDMNFOIXYSUJAJ-LSDHHAIUSA-N 1 2 433.914 -0.009 20 0 IBADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1COC[C@H]1O ZINC000463073189 1072484701 /nfs/dbraw/zinc/48/47/01/1072484701.db2.gz YDMNFOIXYSUJAJ-LSDHHAIUSA-N 1 2 433.914 -0.009 20 0 IBADLO COc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463086575 1072484589 /nfs/dbraw/zinc/48/45/89/1072484589.db2.gz IHOVLIZVZPVCTK-UHFFFAOYSA-N 1 2 428.511 -0.079 20 0 IBADLO CC(=O)N1CCC(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000463107448 1072486358 /nfs/dbraw/zinc/48/63/58/1072486358.db2.gz SZLKUFUWAFAQIM-UHFFFAOYSA-N 1 2 429.587 -0.339 20 0 IBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1nnc(-c2ccccc2)n1 ZINC000463107592 1072486272 /nfs/dbraw/zinc/48/62/72/1072486272.db2.gz UOFPGPABBISWHL-INIZCTEOSA-N 1 2 448.553 -0.463 20 0 IBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1nnc(-c2ccccc2)n1 ZINC000463107604 1072486302 /nfs/dbraw/zinc/48/63/02/1072486302.db2.gz UOFPGPABBISWHL-MRXNPFEDSA-N 1 2 448.553 -0.463 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000463190365 1072493395 /nfs/dbraw/zinc/49/33/95/1072493395.db2.gz CSELJCCKLZKVEA-UHFFFAOYSA-N 1 2 439.582 -0.142 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463195006 1072494219 /nfs/dbraw/zinc/49/42/19/1072494219.db2.gz UQUBBFAXBFMOLK-CHWSQXEVSA-N 1 2 447.583 -0.582 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463195007 1072494077 /nfs/dbraw/zinc/49/40/77/1072494077.db2.gz UQUBBFAXBFMOLK-OLZOCXBDSA-N 1 2 447.583 -0.582 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463195008 1072494243 /nfs/dbraw/zinc/49/42/43/1072494243.db2.gz UQUBBFAXBFMOLK-QWHCGFSZSA-N 1 2 447.583 -0.582 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463195009 1072494034 /nfs/dbraw/zinc/49/40/34/1072494034.db2.gz UQUBBFAXBFMOLK-STQMWFEESA-N 1 2 447.583 -0.582 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000463195929 1072494173 /nfs/dbraw/zinc/49/41/73/1072494173.db2.gz AENZEFDQXUJOKN-UHFFFAOYSA-N 1 2 437.566 -0.057 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000463198456 1072494785 /nfs/dbraw/zinc/49/47/85/1072494785.db2.gz VVGOKWOVEASQEK-UHFFFAOYSA-N 1 2 430.527 -0.153 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000463199421 1072496823 /nfs/dbraw/zinc/49/68/23/1072496823.db2.gz PROZOUWHWGRUNR-UHFFFAOYSA-N 1 2 429.568 -0.449 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CC1 ZINC000463199774 1072496631 /nfs/dbraw/zinc/49/66/31/1072496631.db2.gz DORDCFLZUSQSLC-UHFFFAOYSA-N 1 2 427.527 -0.390 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000463204112 1072494715 /nfs/dbraw/zinc/49/47/15/1072494715.db2.gz REIRDZNBPUOWRM-PMACEKPBSA-N 1 2 434.537 -0.091 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3C[C@@H](O)C[C@@H]3CO)cc2)CC1 ZINC000463204113 1072494818 /nfs/dbraw/zinc/49/48/18/1072494818.db2.gz REIRDZNBPUOWRM-UXHICEINSA-N 1 2 434.537 -0.091 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3C[C@H](O)C[C@H]3CO)cc2)CC1 ZINC000463204114 1072494740 /nfs/dbraw/zinc/49/47/40/1072494740.db2.gz REIRDZNBPUOWRM-VQTJNVASSA-N 1 2 434.537 -0.091 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3C[C@H](O)C[C@@H]3CO)cc2)CC1 ZINC000463204115 1072494673 /nfs/dbraw/zinc/49/46/73/1072494673.db2.gz REIRDZNBPUOWRM-WOJBJXKFSA-N 1 2 434.537 -0.091 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000463205441 1072495225 /nfs/dbraw/zinc/49/52/25/1072495225.db2.gz PQYIIJMLDLJPMP-UHFFFAOYSA-N 1 2 430.527 -0.153 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000463205948 1072495473 /nfs/dbraw/zinc/49/54/73/1072495473.db2.gz WIYRXDUWPVJOSI-GFCCVEGCSA-N 1 2 445.567 -0.870 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000463205949 1072495379 /nfs/dbraw/zinc/49/53/79/1072495379.db2.gz WIYRXDUWPVJOSI-LBPRGKRZSA-N 1 2 445.567 -0.870 20 0 IBADLO CNS(=O)(=O)NC1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000463206450 1072495286 /nfs/dbraw/zinc/49/52/86/1072495286.db2.gz YNDHMCPBZLVVON-UHFFFAOYSA-N 1 2 439.582 -0.347 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(CCNS(C)(=O)=O)C2CC2)CC1 ZINC000463206786 1072495332 /nfs/dbraw/zinc/49/53/32/1072495332.db2.gz SFBXJKOTHSKHOX-UHFFFAOYSA-N 1 2 436.542 -0.975 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000463208066 1072496122 /nfs/dbraw/zinc/49/61/22/1072496122.db2.gz VZMUGHCMELRQNW-UHFFFAOYSA-N 1 2 430.527 -0.153 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000463211709 1072496613 /nfs/dbraw/zinc/49/66/13/1072496613.db2.gz QOEFVTZCMBRQGE-UHFFFAOYSA-N 1 2 427.483 -0.376 20 0 IBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000463214751 1072496758 /nfs/dbraw/zinc/49/67/58/1072496758.db2.gz MBONGLQJXXPITC-UHFFFAOYSA-N 1 2 438.554 -0.119 20 0 IBADLO CNS(=O)(=O)NC1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000463216925 1072497827 /nfs/dbraw/zinc/49/78/27/1072497827.db2.gz ZQAOZSQRXUNTOU-UHFFFAOYSA-N 1 2 425.555 -0.025 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000463330568 1072502694 /nfs/dbraw/zinc/50/26/94/1072502694.db2.gz WPAHWXDEBGTWOB-CRAIPNDOSA-N 1 2 448.611 -0.471 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000463330569 1072502860 /nfs/dbraw/zinc/50/28/60/1072502860.db2.gz WPAHWXDEBGTWOB-MAUKXSAKSA-N 1 2 448.611 -0.471 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000463330570 1072502836 /nfs/dbraw/zinc/50/28/36/1072502836.db2.gz WPAHWXDEBGTWOB-QAPCUYQASA-N 1 2 448.611 -0.471 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000463330571 1072502659 /nfs/dbraw/zinc/50/26/59/1072502659.db2.gz WPAHWXDEBGTWOB-YJBOKZPZSA-N 1 2 448.611 -0.471 20 0 IBADLO COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463334880 1072502732 /nfs/dbraw/zinc/50/27/32/1072502732.db2.gz LNCOLESKUQBEAK-UHFFFAOYSA-N 1 2 435.568 -0.247 20 0 IBADLO O=C(CCNS(=O)(=O)CCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000463343259 1072503198 /nfs/dbraw/zinc/50/31/98/1072503198.db2.gz CUKAQSQWPDQDJG-UHFFFAOYSA-N 1 2 426.543 -0.843 20 0 IBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000463344761 1072503220 /nfs/dbraw/zinc/50/32/20/1072503220.db2.gz KMDGLCJOFDMCLN-UHFFFAOYSA-N 1 2 447.579 -0.151 20 0 IBADLO O=C1CCc2cc(OC[C@@H](O)CNS(=O)(=O)CCC[NH+]3CCOCC3)ccc2N1 ZINC000463411238 1072507709 /nfs/dbraw/zinc/50/77/09/1072507709.db2.gz BWTYFYFQJFILNG-INIZCTEOSA-N 1 2 427.523 -0.047 20 0 IBADLO O=C1CCc2cc(OC[C@H](O)CNS(=O)(=O)CCC[NH+]3CCOCC3)ccc2N1 ZINC000463411239 1072507512 /nfs/dbraw/zinc/50/75/12/1072507512.db2.gz BWTYFYFQJFILNG-MRXNPFEDSA-N 1 2 427.523 -0.047 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463414245 1072508047 /nfs/dbraw/zinc/50/80/47/1072508047.db2.gz MVNWJHLJFXEYFJ-AWEZNQCLSA-N 1 2 448.567 -0.437 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463414246 1072508073 /nfs/dbraw/zinc/50/80/73/1072508073.db2.gz MVNWJHLJFXEYFJ-CQSZACIVSA-N 1 2 448.567 -0.437 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CCC[NH+]3CCOCC3)CC2)cn1 ZINC000463415781 1072508141 /nfs/dbraw/zinc/50/81/41/1072508141.db2.gz QLKVLIDITYPUNO-UHFFFAOYSA-N 1 2 435.572 -0.785 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463417079 1072508726 /nfs/dbraw/zinc/50/87/26/1072508726.db2.gz BOGATVOSVPXHBY-UHFFFAOYSA-N 1 2 434.540 -0.825 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463423493 1072509168 /nfs/dbraw/zinc/50/91/68/1072509168.db2.gz JCRIEIZCZZZCHI-UHFFFAOYSA-N 1 2 435.568 -0.559 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cn(CC(N)=O)nn3)cc2)CC1 ZINC000463491400 1072512006 /nfs/dbraw/zinc/51/20/06/1072512006.db2.gz KZBHSQVJQJIFSC-UHFFFAOYSA-N 1 2 443.508 -0.721 20 0 IBADLO Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463635849 1072516389 /nfs/dbraw/zinc/51/63/89/1072516389.db2.gz REJLDAGCVRVZQF-UHFFFAOYSA-N 1 2 444.945 -0.382 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463686674 1072518166 /nfs/dbraw/zinc/51/81/66/1072518166.db2.gz WNNQDXUVWMYKHD-INIZCTEOSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463686677 1072518134 /nfs/dbraw/zinc/51/81/34/1072518134.db2.gz WNNQDXUVWMYKHD-MRXNPFEDSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)nn1 ZINC000463793810 1072521597 /nfs/dbraw/zinc/52/15/97/1072521597.db2.gz NCHUNJPRTKOBHL-INIZCTEOSA-N 1 2 446.464 -0.856 20 0 IBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)nn1 ZINC000463793811 1072521541 /nfs/dbraw/zinc/52/15/41/1072521541.db2.gz NCHUNJPRTKOBHL-MRXNPFEDSA-N 1 2 446.464 -0.856 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808310 1072523108 /nfs/dbraw/zinc/52/31/08/1072523108.db2.gz XIKCOIPVEWPVCC-INIZCTEOSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808310 1072523101 /nfs/dbraw/zinc/52/31/01/1072523101.db2.gz XIKCOIPVEWPVCC-INIZCTEOSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808311 1072523152 /nfs/dbraw/zinc/52/31/52/1072523152.db2.gz XIKCOIPVEWPVCC-MRXNPFEDSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808311 1072523144 /nfs/dbraw/zinc/52/31/44/1072523144.db2.gz XIKCOIPVEWPVCC-MRXNPFEDSA-N 1 2 445.520 -0.347 20 0 IBADLO COc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463808354 1072523194 /nfs/dbraw/zinc/52/31/94/1072523194.db2.gz IXKKWMRQTIFAHI-UHFFFAOYSA-N 1 2 428.511 -0.031 20 0 IBADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463833477 1072524734 /nfs/dbraw/zinc/52/47/34/1072524734.db2.gz HEVYKMQNDDJJOA-VQIMIIECSA-N 1 2 429.521 -0.122 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CCC[NH+]3CCOCC3)C2)cc1 ZINC000463854257 1072525717 /nfs/dbraw/zinc/52/57/17/1072525717.db2.gz IXZWAMZHRIEFHS-UHFFFAOYSA-N 1 2 433.552 -0.290 20 0 IBADLO COCC[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463997530 1072531948 /nfs/dbraw/zinc/53/19/48/1072531948.db2.gz MPPJPMNYLNZDHO-KRWDZBQOSA-N 1 2 441.554 -0.020 20 0 IBADLO COCC[C@@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463997531 1072531958 /nfs/dbraw/zinc/53/19/58/1072531958.db2.gz MPPJPMNYLNZDHO-QGZVFWFLSA-N 1 2 441.554 -0.020 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000464003668 1073334535 /nfs/dbraw/zinc/33/45/35/1073334535.db2.gz KDGMCGRTEZSYFV-JOCHJYFZSA-N 1 2 427.505 0.316 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000464003669 1073334655 /nfs/dbraw/zinc/33/46/55/1073334655.db2.gz KDGMCGRTEZSYFV-QFIPXVFZSA-N 1 2 427.505 0.316 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464019214 1073334568 /nfs/dbraw/zinc/33/45/68/1073334568.db2.gz WJHCOMQRKWGLPO-HNNXBMFYSA-N 1 2 444.467 0.215 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464019229 1073334380 /nfs/dbraw/zinc/33/43/80/1073334380.db2.gz WJHCOMQRKWGLPO-OAHLLOKOSA-N 1 2 444.467 0.215 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464305032 1072541028 /nfs/dbraw/zinc/54/10/28/1072541028.db2.gz CGZZSNJPPRKUPH-KRWDZBQOSA-N 1 2 436.534 -0.256 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464305088 1072540992 /nfs/dbraw/zinc/54/09/92/1072540992.db2.gz CGZZSNJPPRKUPH-QGZVFWFLSA-N 1 2 436.534 -0.256 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464309633 1072540113 /nfs/dbraw/zinc/54/01/13/1072540113.db2.gz HGODVYMGCNFKRG-KRWDZBQOSA-N 1 2 436.534 -0.256 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464309634 1072540518 /nfs/dbraw/zinc/54/05/18/1072540518.db2.gz HGODVYMGCNFKRG-QGZVFWFLSA-N 1 2 436.534 -0.256 20 0 IBADLO COC(=O)C[C@@]1([NH2+]CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CCOC1 ZINC000464600550 1072550184 /nfs/dbraw/zinc/55/01/84/1072550184.db2.gz HXQGLDJDHVIRKP-NRFANRHFSA-N 1 2 430.461 -0.328 20 0 IBADLO COC(=O)C[C@]1([NH2+]CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CCOC1 ZINC000464600551 1072549922 /nfs/dbraw/zinc/54/99/22/1072549922.db2.gz HXQGLDJDHVIRKP-OAQYLSRUSA-N 1 2 430.461 -0.328 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCN(c2ncccn2)CC1 ZINC000464729634 1072553740 /nfs/dbraw/zinc/55/37/40/1072553740.db2.gz HPEZPYLEPPGBJY-UHFFFAOYSA-N 1 2 449.537 -0.349 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+]1CCOCC1 ZINC000464729839 1072553705 /nfs/dbraw/zinc/55/37/05/1072553705.db2.gz DTWLVMGMLWGWQG-UHFFFAOYSA-N 1 2 429.543 -0.651 20 0 IBADLO CCO[C@@H](C)c1noc(CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000464740226 1072553906 /nfs/dbraw/zinc/55/39/06/1072553906.db2.gz PPVFYKULTRMUSJ-AWEZNQCLSA-N 1 2 446.512 -0.268 20 0 IBADLO CCO[C@H](C)c1noc(CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000464740227 1072553803 /nfs/dbraw/zinc/55/38/03/1072553803.db2.gz PPVFYKULTRMUSJ-CQSZACIVSA-N 1 2 446.512 -0.268 20 0 IBADLO CCOC(=O)c1cnc(N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)s1 ZINC000464767310 1072555426 /nfs/dbraw/zinc/55/54/26/1072555426.db2.gz VYHGVRXGMYSQNX-UHFFFAOYSA-N 1 2 447.521 -0.111 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000464797455 1072555969 /nfs/dbraw/zinc/55/59/69/1072555969.db2.gz GFCUCSAUKQWGFS-JOCHJYFZSA-N 1 2 425.489 -0.038 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000464797455 1072555964 /nfs/dbraw/zinc/55/59/64/1072555964.db2.gz GFCUCSAUKQWGFS-JOCHJYFZSA-N 1 2 425.489 -0.038 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000464797456 1072556031 /nfs/dbraw/zinc/55/60/31/1072556031.db2.gz GFCUCSAUKQWGFS-QFIPXVFZSA-N 1 2 425.489 -0.038 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000464797456 1072556020 /nfs/dbraw/zinc/55/60/20/1072556020.db2.gz GFCUCSAUKQWGFS-QFIPXVFZSA-N 1 2 425.489 -0.038 20 0 IBADLO COc1cccc(OC)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000464861100 1072560182 /nfs/dbraw/zinc/56/01/82/1072560182.db2.gz AVILYWGYGZGXBA-UHFFFAOYSA-N 1 2 426.539 -0.117 20 0 IBADLO COc1ccccc1N1CC[C@@H](N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000464880736 1072561593 /nfs/dbraw/zinc/56/15/93/1072561593.db2.gz MLAIOAJRICEIJF-GOSISDBHSA-N 1 2 437.566 -0.090 20 0 IBADLO COc1ccccc1N1CC[C@H](N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000464880737 1072561603 /nfs/dbraw/zinc/56/16/03/1072561603.db2.gz MLAIOAJRICEIJF-SFHVURJKSA-N 1 2 437.566 -0.090 20 0 IBADLO Cn1c2c(ccn2CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c(=O)n(C)c1=O ZINC000465020810 1072564814 /nfs/dbraw/zinc/56/48/14/1072564814.db2.gz KLUYKJZQWQZDTB-UHFFFAOYSA-N 1 2 438.488 -0.518 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465051698 1072566302 /nfs/dbraw/zinc/56/63/02/1072566302.db2.gz CLYUSECXEPUYFN-UHFFFAOYSA-N 1 2 437.464 -0.936 20 0 IBADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465126583 1072569795 /nfs/dbraw/zinc/56/97/95/1072569795.db2.gz FYHOFRUOTSEVHY-UHFFFAOYSA-N 1 2 427.509 -0.267 20 0 IBADLO NC(=O)NC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000465135016 1072571547 /nfs/dbraw/zinc/57/15/47/1072571547.db2.gz AESBOEOEALIHGH-UHFFFAOYSA-N 1 2 439.542 -0.624 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[nH+]cn1 ZINC000465157037 1072571997 /nfs/dbraw/zinc/57/19/97/1072571997.db2.gz JVABXMBQGYHLJC-CYBMUJFWSA-N 1 2 426.481 -0.344 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)nc[nH+]1 ZINC000465157037 1072571991 /nfs/dbraw/zinc/57/19/91/1072571991.db2.gz JVABXMBQGYHLJC-CYBMUJFWSA-N 1 2 426.481 -0.344 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[nH+]cn1 ZINC000465157040 1072572034 /nfs/dbraw/zinc/57/20/34/1072572034.db2.gz JVABXMBQGYHLJC-ZDUSSCGKSA-N 1 2 426.481 -0.344 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)nc[nH+]1 ZINC000465157040 1072572027 /nfs/dbraw/zinc/57/20/27/1072572027.db2.gz JVABXMBQGYHLJC-ZDUSSCGKSA-N 1 2 426.481 -0.344 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000465279622 1072576474 /nfs/dbraw/zinc/57/64/74/1072576474.db2.gz APXMGNYBJGFAJI-GOSISDBHSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000465279622 1072576460 /nfs/dbraw/zinc/57/64/60/1072576460.db2.gz APXMGNYBJGFAJI-GOSISDBHSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000465279623 1072576439 /nfs/dbraw/zinc/57/64/39/1072576439.db2.gz APXMGNYBJGFAJI-SFHVURJKSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000465279623 1072576433 /nfs/dbraw/zinc/57/64/33/1072576433.db2.gz APXMGNYBJGFAJI-SFHVURJKSA-N 1 2 428.493 -0.073 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000465321618 1072578672 /nfs/dbraw/zinc/57/86/72/1072578672.db2.gz AANHSZKWAAZLPB-UHFFFAOYSA-N 1 2 445.499 -0.013 20 0 IBADLO Cc1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000465323544 1072578529 /nfs/dbraw/zinc/57/85/29/1072578529.db2.gz FUCKVMJUTICTQI-UHFFFAOYSA-N 1 2 430.556 -0.665 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000465326924 1072579042 /nfs/dbraw/zinc/57/90/42/1072579042.db2.gz YYUGYDNEKUJQQG-INIZCTEOSA-N 1 2 442.524 -0.368 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000465326933 1072579092 /nfs/dbraw/zinc/57/90/92/1072579092.db2.gz YYUGYDNEKUJQQG-MRXNPFEDSA-N 1 2 442.524 -0.368 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000465328178 1072577424 /nfs/dbraw/zinc/57/74/24/1072577424.db2.gz WGENGHYUQGBHFH-UHFFFAOYSA-N 1 2 435.529 -0.688 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000465328178 1072577416 /nfs/dbraw/zinc/57/74/16/1072577416.db2.gz WGENGHYUQGBHFH-UHFFFAOYSA-N 1 2 435.529 -0.688 20 0 IBADLO Cc1c(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000465330258 1072578121 /nfs/dbraw/zinc/57/81/21/1072578121.db2.gz QYFFQMOMKJNPIC-UHFFFAOYSA-N 1 2 435.510 -0.670 20 0 IBADLO CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000465330382 1072578048 /nfs/dbraw/zinc/57/80/48/1072578048.db2.gz TVTFJWVWMQHIEL-UHFFFAOYSA-N 1 2 435.510 -0.495 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000465407601 1072625098 /nfs/dbraw/zinc/62/50/98/1072625098.db2.gz VHSASXXTZLFTIS-FQEVSTJZSA-N 1 2 433.553 -0.023 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000465407601 1072625091 /nfs/dbraw/zinc/62/50/91/1072625091.db2.gz VHSASXXTZLFTIS-FQEVSTJZSA-N 1 2 433.553 -0.023 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000465407602 1072625172 /nfs/dbraw/zinc/62/51/72/1072625172.db2.gz VHSASXXTZLFTIS-HXUWFJFHSA-N 1 2 433.553 -0.023 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000465407602 1072625167 /nfs/dbraw/zinc/62/51/67/1072625167.db2.gz VHSASXXTZLFTIS-HXUWFJFHSA-N 1 2 433.553 -0.023 20 0 IBADLO COC(=O)[C@@H](C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465455297 1072651078 /nfs/dbraw/zinc/65/10/78/1072651078.db2.gz ZYAHBTYGVFLHGL-AWEZNQCLSA-N 1 2 434.540 -0.738 20 0 IBADLO COC(=O)[C@H](C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465455298 1072651116 /nfs/dbraw/zinc/65/11/16/1072651116.db2.gz ZYAHBTYGVFLHGL-CQSZACIVSA-N 1 2 434.540 -0.738 20 0 IBADLO COCCOC[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465540509 1072755590 /nfs/dbraw/zinc/75/55/90/1072755590.db2.gz KADHZYRHFFCJGG-INIZCTEOSA-N 1 2 429.543 -0.116 20 0 IBADLO COCCOC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465540517 1072756347 /nfs/dbraw/zinc/75/63/47/1072756347.db2.gz KADHZYRHFFCJGG-MRXNPFEDSA-N 1 2 429.543 -0.116 20 0 IBADLO COC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000465554130 1072938619 /nfs/dbraw/zinc/93/86/19/1072938619.db2.gz XRFXVNDTGATRIC-INIZCTEOSA-N 1 2 427.527 -0.410 20 0 IBADLO COC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000465554131 1072938550 /nfs/dbraw/zinc/93/85/50/1072938550.db2.gz XRFXVNDTGATRIC-MRXNPFEDSA-N 1 2 427.527 -0.410 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000465632528 1073134801 /nfs/dbraw/zinc/13/48/01/1073134801.db2.gz GHIYQCPHRFZEFP-UHFFFAOYSA-N 1 2 432.573 -0.206 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)c1=O ZINC000465638399 1073135801 /nfs/dbraw/zinc/13/58/01/1073135801.db2.gz NOBXXENIZGMZOV-UHFFFAOYSA-N 1 2 427.513 -0.776 20 0 IBADLO Cn1cc(N2CCC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)cn1 ZINC000465641960 1073136521 /nfs/dbraw/zinc/13/65/21/1073136521.db2.gz TXTBCZQZONDMKX-KRWDZBQOSA-N 1 2 427.513 -0.173 20 0 IBADLO Cn1cc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)cn1 ZINC000465641961 1073136619 /nfs/dbraw/zinc/13/66/19/1073136619.db2.gz TXTBCZQZONDMKX-QGZVFWFLSA-N 1 2 427.513 -0.173 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)n(C)n1 ZINC000465643987 1073136392 /nfs/dbraw/zinc/13/63/92/1073136392.db2.gz XRQGLJZQZGNHDC-INIZCTEOSA-N 1 2 427.513 -0.255 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)n(C)n1 ZINC000465643988 1073136493 /nfs/dbraw/zinc/13/64/93/1073136493.db2.gz XRQGLJZQZGNHDC-MRXNPFEDSA-N 1 2 427.513 -0.255 20 0 IBADLO Cc1nc(C)n(C[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCO2)n1 ZINC000465656011 1073137243 /nfs/dbraw/zinc/13/72/43/1073137243.db2.gz INMRAIQEENXBGT-GOSISDBHSA-N 1 2 429.529 -0.082 20 0 IBADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCO2)n1 ZINC000465656013 1073137240 /nfs/dbraw/zinc/13/72/40/1073137240.db2.gz INMRAIQEENXBGT-SFHVURJKSA-N 1 2 429.529 -0.082 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000465766190 1073143773 /nfs/dbraw/zinc/14/37/73/1073143773.db2.gz ZAQJKGLZTQSOLO-IBGZPJMESA-N 1 2 429.587 -0.716 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000465766191 1073143734 /nfs/dbraw/zinc/14/37/34/1073143734.db2.gz ZAQJKGLZTQSOLO-LJQANCHMSA-N 1 2 429.587 -0.716 20 0 IBADLO Cn1nc2c(cc1=O)CN(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000465802478 1073146963 /nfs/dbraw/zinc/14/69/63/1073146963.db2.gz BRULYGWYSGMFSN-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO C[C@](O)(CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000465816698 1073147661 /nfs/dbraw/zinc/14/76/61/1073147661.db2.gz OQYGEXWBPQYFCT-NRFANRHFSA-N 1 2 434.541 -0.497 20 0 IBADLO C[C@@](O)(CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000465816699 1073147570 /nfs/dbraw/zinc/14/75/70/1073147570.db2.gz OQYGEXWBPQYFCT-OAQYLSRUSA-N 1 2 434.541 -0.497 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465975285 1073169764 /nfs/dbraw/zinc/16/97/64/1073169764.db2.gz WGDCLFUUZZEABB-GOSISDBHSA-N 1 2 445.586 -0.466 20 0 IBADLO CC(C)Cn1ccnc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466082341 1073195111 /nfs/dbraw/zinc/19/51/11/1073195111.db2.gz UATRTQHQZMBAKG-UHFFFAOYSA-N 1 2 427.575 -0.142 20 0 IBADLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466086638 1073195155 /nfs/dbraw/zinc/19/51/55/1073195155.db2.gz WBBYYLHUKHUZSW-HNNXBMFYSA-N 1 2 441.602 -0.213 20 0 IBADLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466086639 1073195144 /nfs/dbraw/zinc/19/51/44/1073195144.db2.gz WBBYYLHUKHUZSW-OAHLLOKOSA-N 1 2 441.602 -0.213 20 0 IBADLO CSC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000466117387 1073197975 /nfs/dbraw/zinc/19/79/75/1073197975.db2.gz MVVIUQHIFUQLBY-UHFFFAOYSA-N 1 2 435.616 -0.282 20 0 IBADLO CCOCCS(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466343315 1073212271 /nfs/dbraw/zinc/21/22/71/1073212271.db2.gz JKMSKWCLYADPTC-UHFFFAOYSA-N 1 2 427.527 -0.808 20 0 IBADLO CCCCOCCOCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466523220 1073223206 /nfs/dbraw/zinc/22/32/06/1073223206.db2.gz VARLZMNOKUIOFK-UHFFFAOYSA-N 1 2 435.591 -0.361 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466560981 1073250329 /nfs/dbraw/zinc/25/03/29/1073250329.db2.gz BXYWCGILWIQPHW-UHFFFAOYSA-N 1 2 444.496 -0.279 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466582215 1073254782 /nfs/dbraw/zinc/25/47/82/1073254782.db2.gz VYHINXWLMILQRQ-CVEARBPZSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466582215 1073254777 /nfs/dbraw/zinc/25/47/77/1073254777.db2.gz VYHINXWLMILQRQ-CVEARBPZSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466582216 1073254820 /nfs/dbraw/zinc/25/48/20/1073254820.db2.gz VYHINXWLMILQRQ-HOTGVXAUSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466582216 1073254816 /nfs/dbraw/zinc/25/48/16/1073254816.db2.gz VYHINXWLMILQRQ-HOTGVXAUSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466582217 1073254832 /nfs/dbraw/zinc/25/48/32/1073254832.db2.gz VYHINXWLMILQRQ-HZPDHXFCSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466582217 1073254828 /nfs/dbraw/zinc/25/48/28/1073254828.db2.gz VYHINXWLMILQRQ-HZPDHXFCSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466582218 1073254877 /nfs/dbraw/zinc/25/48/77/1073254877.db2.gz VYHINXWLMILQRQ-JKSUJKDBSA-N 1 2 430.513 -0.299 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466582218 1073254872 /nfs/dbraw/zinc/25/48/72/1073254872.db2.gz VYHINXWLMILQRQ-JKSUJKDBSA-N 1 2 430.513 -0.299 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466590226 1073256346 /nfs/dbraw/zinc/25/63/46/1073256346.db2.gz UMQVJKMHJSIXBR-HNNXBMFYSA-N 1 2 439.542 -0.754 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466590227 1073256226 /nfs/dbraw/zinc/25/62/26/1073256226.db2.gz UMQVJKMHJSIXBR-OAHLLOKOSA-N 1 2 439.542 -0.754 20 0 IBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466742306 1073360879 /nfs/dbraw/zinc/36/08/79/1073360879.db2.gz XCJVGNWESPMBHB-INIZCTEOSA-N 1 2 428.493 -0.132 20 0 IBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466742307 1073360970 /nfs/dbraw/zinc/36/09/70/1073360970.db2.gz XCJVGNWESPMBHB-MRXNPFEDSA-N 1 2 428.493 -0.132 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000466820019 1074485916 /nfs/dbraw/zinc/48/59/16/1074485916.db2.gz VTJKDAUQWNUIBK-UHFFFAOYSA-N 1 2 441.452 -0.439 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000466828028 1074486487 /nfs/dbraw/zinc/48/64/87/1074486487.db2.gz GQMVVMWSPDIYNK-UHFFFAOYSA-N 1 2 436.513 -0.062 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000466828028 1074486484 /nfs/dbraw/zinc/48/64/84/1074486484.db2.gz GQMVVMWSPDIYNK-UHFFFAOYSA-N 1 2 436.513 -0.062 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000466828985 1074486511 /nfs/dbraw/zinc/48/65/11/1074486511.db2.gz NIMBWXNHSUIYJR-UHFFFAOYSA-N 1 2 434.497 -0.308 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000466828985 1074486507 /nfs/dbraw/zinc/48/65/07/1074486507.db2.gz NIMBWXNHSUIYJR-UHFFFAOYSA-N 1 2 434.497 -0.308 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000466920348 1074509736 /nfs/dbraw/zinc/50/97/36/1074509736.db2.gz DGQAWZFBOYEMMP-CYBMUJFWSA-N 1 2 426.485 -0.052 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000466920349 1074509718 /nfs/dbraw/zinc/50/97/18/1074509718.db2.gz DGQAWZFBOYEMMP-ZDUSSCGKSA-N 1 2 426.485 -0.052 20 0 IBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000466925723 1074510165 /nfs/dbraw/zinc/51/01/65/1074510165.db2.gz HZRRFGYUFUZXQH-INIZCTEOSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000466925723 1074510160 /nfs/dbraw/zinc/51/01/60/1074510160.db2.gz HZRRFGYUFUZXQH-INIZCTEOSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000466925724 1074510293 /nfs/dbraw/zinc/51/02/93/1074510293.db2.gz HZRRFGYUFUZXQH-MRXNPFEDSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000466925724 1074510286 /nfs/dbraw/zinc/51/02/86/1074510286.db2.gz HZRRFGYUFUZXQH-MRXNPFEDSA-N 1 2 439.538 -0.673 20 0 IBADLO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000466926592 1074510239 /nfs/dbraw/zinc/51/02/39/1074510239.db2.gz UABQPQQKQXRZKW-HNNXBMFYSA-N 1 2 443.508 -0.064 20 0 IBADLO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000466926592 1074510234 /nfs/dbraw/zinc/51/02/34/1074510234.db2.gz UABQPQQKQXRZKW-HNNXBMFYSA-N 1 2 443.508 -0.064 20 0 IBADLO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000466926593 1074510387 /nfs/dbraw/zinc/51/03/87/1074510387.db2.gz UABQPQQKQXRZKW-OAHLLOKOSA-N 1 2 443.508 -0.064 20 0 IBADLO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000466926593 1074510384 /nfs/dbraw/zinc/51/03/84/1074510384.db2.gz UABQPQQKQXRZKW-OAHLLOKOSA-N 1 2 443.508 -0.064 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000466928351 1074510446 /nfs/dbraw/zinc/51/04/46/1074510446.db2.gz BXNUCRDBANYVOK-CYBMUJFWSA-N 1 2 439.517 -0.830 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000466928351 1074510442 /nfs/dbraw/zinc/51/04/42/1074510442.db2.gz BXNUCRDBANYVOK-CYBMUJFWSA-N 1 2 439.517 -0.830 20 0 IBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000466928352 1074510426 /nfs/dbraw/zinc/51/04/26/1074510426.db2.gz BXNUCRDBANYVOK-ZDUSSCGKSA-N 1 2 439.517 -0.830 20 0 IBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000466928352 1074510420 /nfs/dbraw/zinc/51/04/20/1074510420.db2.gz BXNUCRDBANYVOK-ZDUSSCGKSA-N 1 2 439.517 -0.830 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466930023 1074510194 /nfs/dbraw/zinc/51/01/94/1074510194.db2.gz VPNNVSPJMJGHPD-CYBMUJFWSA-N 1 2 439.517 -0.686 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC[C@@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466930023 1074510190 /nfs/dbraw/zinc/51/01/90/1074510190.db2.gz VPNNVSPJMJGHPD-CYBMUJFWSA-N 1 2 439.517 -0.686 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CC[C@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466930024 1074510402 /nfs/dbraw/zinc/51/04/02/1074510402.db2.gz VPNNVSPJMJGHPD-ZDUSSCGKSA-N 1 2 439.517 -0.686 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC[C@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466930024 1074510398 /nfs/dbraw/zinc/51/03/98/1074510398.db2.gz VPNNVSPJMJGHPD-ZDUSSCGKSA-N 1 2 439.517 -0.686 20 0 IBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000466950134 1074511494 /nfs/dbraw/zinc/51/14/94/1074511494.db2.gz HBJGFFSDXQLNAM-INIZCTEOSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000466950134 1074511488 /nfs/dbraw/zinc/51/14/88/1074511488.db2.gz HBJGFFSDXQLNAM-INIZCTEOSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000466950135 1074511320 /nfs/dbraw/zinc/51/13/20/1074511320.db2.gz HBJGFFSDXQLNAM-MRXNPFEDSA-N 1 2 439.538 -0.673 20 0 IBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000466950135 1074511318 /nfs/dbraw/zinc/51/13/18/1074511318.db2.gz HBJGFFSDXQLNAM-MRXNPFEDSA-N 1 2 439.538 -0.673 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000466976203 1074512415 /nfs/dbraw/zinc/51/24/15/1074512415.db2.gz SSNPTOHZSBKOAR-UHFFFAOYSA-N 1 2 428.497 -0.146 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000466982960 1074513029 /nfs/dbraw/zinc/51/30/29/1074513029.db2.gz NYPHQXXFUUOWND-UHFFFAOYSA-N 1 2 428.497 -0.278 20 0 IBADLO CCc1n[nH]c(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1CC ZINC000466991826 1072557176 /nfs/dbraw/zinc/55/71/76/1072557176.db2.gz KWMGHUOSICQGNZ-UHFFFAOYSA-N 1 2 426.543 -0.443 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)ccc2[nH+]1 ZINC000467140923 1074523104 /nfs/dbraw/zinc/52/31/04/1074523104.db2.gz ZWMCJWSKJPBICR-UHFFFAOYSA-N 1 2 426.437 -0.930 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1=O ZINC000467147769 1074524263 /nfs/dbraw/zinc/52/42/63/1074524263.db2.gz KJFORFXGZWLGTG-KKUMJFAQSA-N 1 2 443.547 -0.273 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1=O ZINC000467147770 1074524305 /nfs/dbraw/zinc/52/43/05/1074524305.db2.gz KJFORFXGZWLGTG-RRFJBIMHSA-N 1 2 443.547 -0.273 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1=O ZINC000467147771 1074524280 /nfs/dbraw/zinc/52/42/80/1074524280.db2.gz KJFORFXGZWLGTG-SOUVJXGZSA-N 1 2 443.547 -0.273 20 0 IBADLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1=O ZINC000467147772 1074524245 /nfs/dbraw/zinc/52/42/45/1074524245.db2.gz KJFORFXGZWLGTG-ZNMIVQPWSA-N 1 2 443.547 -0.273 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cccc(-n3cc[nH+]c3)c1)C2 ZINC000467154141 1074525026 /nfs/dbraw/zinc/52/50/26/1074525026.db2.gz YFZBTNUJYGATRW-UHFFFAOYSA-N 1 2 438.448 -0.700 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467177288 1074526058 /nfs/dbraw/zinc/52/60/58/1074526058.db2.gz USXXZDGFDIKARY-FYKBGJEGSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467177288 1074526050 /nfs/dbraw/zinc/52/60/50/1074526050.db2.gz USXXZDGFDIKARY-FYKBGJEGSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467177289 1074525880 /nfs/dbraw/zinc/52/58/80/1074525880.db2.gz USXXZDGFDIKARY-GBOIKXPFSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467177289 1074525874 /nfs/dbraw/zinc/52/58/74/1074525874.db2.gz USXXZDGFDIKARY-GBOIKXPFSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000467177289 1074525867 /nfs/dbraw/zinc/52/58/67/1074525867.db2.gz USXXZDGFDIKARY-GBOIKXPFSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000467177289 1074525861 /nfs/dbraw/zinc/52/58/61/1074525861.db2.gz USXXZDGFDIKARY-GBOIKXPFSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467177290 1074525839 /nfs/dbraw/zinc/52/58/39/1074525839.db2.gz USXXZDGFDIKARY-YEVOLAAUSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467177290 1074525831 /nfs/dbraw/zinc/52/58/31/1074525831.db2.gz USXXZDGFDIKARY-YEVOLAAUSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467177290 1074525824 /nfs/dbraw/zinc/52/58/24/1074525824.db2.gz USXXZDGFDIKARY-YEVOLAAUSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467177290 1074525817 /nfs/dbraw/zinc/52/58/17/1074525817.db2.gz USXXZDGFDIKARY-YEVOLAAUSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467177291 1074525917 /nfs/dbraw/zinc/52/59/17/1074525917.db2.gz USXXZDGFDIKARY-YHIDPYCLSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467177291 1074525911 /nfs/dbraw/zinc/52/59/11/1074525911.db2.gz USXXZDGFDIKARY-YHIDPYCLSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467177291 1074525902 /nfs/dbraw/zinc/52/59/02/1074525902.db2.gz USXXZDGFDIKARY-YHIDPYCLSA-N 1 2 436.644 -0.945 20 0 IBADLO C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467177291 1074525897 /nfs/dbraw/zinc/52/58/97/1074525897.db2.gz USXXZDGFDIKARY-YHIDPYCLSA-N 1 2 436.644 -0.945 20 0 IBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000467208867 1072601445 /nfs/dbraw/zinc/60/14/45/1072601445.db2.gz VEGLNKKPNKZSNP-UHFFFAOYSA-N 1 2 425.489 -0.038 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000467284325 1074528801 /nfs/dbraw/zinc/52/88/01/1074528801.db2.gz QHLULVXNLFQMMN-UHFFFAOYSA-N 1 2 447.565 -0.646 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000467285594 1074529083 /nfs/dbraw/zinc/52/90/83/1074529083.db2.gz IFINSUDPBSYWRT-UHFFFAOYSA-N 1 2 447.565 -0.646 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467292636 1074530548 /nfs/dbraw/zinc/53/05/48/1074530548.db2.gz VRMMOTHHXZKIPL-INIZCTEOSA-N 1 2 442.524 -0.919 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467292637 1074530417 /nfs/dbraw/zinc/53/04/17/1074530417.db2.gz VRMMOTHHXZKIPL-MRXNPFEDSA-N 1 2 442.524 -0.919 20 0 IBADLO C[C@@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000467300138 1071695721 /nfs/dbraw/zinc/69/57/21/1071695721.db2.gz BHGIMZVFDICLRK-INIZCTEOSA-N 1 2 427.546 -0.231 20 0 IBADLO C[C@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000467300139 1071696904 /nfs/dbraw/zinc/69/69/04/1071696904.db2.gz BHGIMZVFDICLRK-MRXNPFEDSA-N 1 2 427.546 -0.231 20 0 IBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000467301141 1074531440 /nfs/dbraw/zinc/53/14/40/1074531440.db2.gz LILYAOIFZPAGON-UHFFFAOYSA-N 1 2 442.524 -0.918 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000467309457 1074532406 /nfs/dbraw/zinc/53/24/06/1074532406.db2.gz CCEHRWFZDSJNRC-HNNXBMFYSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000467309458 1074532395 /nfs/dbraw/zinc/53/23/95/1074532395.db2.gz CCEHRWFZDSJNRC-OAHLLOKOSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@@H]3C)cc2)CC1 ZINC000467312120 1074532451 /nfs/dbraw/zinc/53/24/51/1074532451.db2.gz AINQCOVKEQCLQE-HNNXBMFYSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@H]3C)cc2)CC1 ZINC000467312121 1074532429 /nfs/dbraw/zinc/53/24/29/1074532429.db2.gz AINQCOVKEQCLQE-OAHLLOKOSA-N 1 2 436.534 -0.065 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000467315605 1074532678 /nfs/dbraw/zinc/53/26/78/1074532678.db2.gz GACMMNVCCOERJU-UHFFFAOYSA-N 1 2 434.522 -0.042 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@@H]3C)c2)CC1 ZINC000467322992 1074532835 /nfs/dbraw/zinc/53/28/35/1074532835.db2.gz XDAYOSYLUNKXSV-HNNXBMFYSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@H]3C)c2)CC1 ZINC000467322993 1074532729 /nfs/dbraw/zinc/53/27/29/1074532729.db2.gz XDAYOSYLUNKXSV-OAHLLOKOSA-N 1 2 436.534 -0.065 20 0 IBADLO O=C(NCCN1CCc2ccccc2C1=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000467334064 1074533454 /nfs/dbraw/zinc/53/34/54/1074533454.db2.gz MNDUUDHPWHQFNB-UHFFFAOYSA-N 1 2 440.504 -0.032 20 0 IBADLO O=C(NCCN1CCc2ccccc2C1=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467349767 1074533751 /nfs/dbraw/zinc/53/37/51/1074533751.db2.gz YZRBGDJRWNZCFZ-UHFFFAOYSA-N 1 2 440.504 -0.032 20 0 IBADLO Cc1ncccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467375255 1074534004 /nfs/dbraw/zinc/53/40/04/1074534004.db2.gz BSNOKHPJMZEQAB-UHFFFAOYSA-N 1 2 432.506 -0.008 20 0 IBADLO COC(=O)c1cn(C2CN(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)nn1 ZINC000467469289 1074535559 /nfs/dbraw/zinc/53/55/59/1074535559.db2.gz NVXIHZAQVQKSJU-UHFFFAOYSA-N 1 2 428.453 -0.064 20 0 IBADLO Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000467480881 1074536022 /nfs/dbraw/zinc/53/60/22/1074536022.db2.gz KRHDLESXSMQULY-UHFFFAOYSA-N 1 2 440.526 -0.565 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n(-c2ncccn2)n1 ZINC000467483852 1074535853 /nfs/dbraw/zinc/53/58/53/1074535853.db2.gz QKPSMVBJXWKNHG-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO C[C@](O)(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000467493684 1074536343 /nfs/dbraw/zinc/53/63/43/1074536343.db2.gz HFWVSSDLCRHVSH-KRWDZBQOSA-N 1 2 433.552 -0.418 20 0 IBADLO C[C@@](O)(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000467493688 1074536319 /nfs/dbraw/zinc/53/63/19/1074536319.db2.gz HFWVSSDLCRHVSH-QGZVFWFLSA-N 1 2 433.552 -0.418 20 0 IBADLO C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000467511637 1074537686 /nfs/dbraw/zinc/53/76/86/1074537686.db2.gz QKNWLTJSMWUVGU-IBGZPJMESA-N 1 2 427.523 -0.480 20 0 IBADLO C[C@@](O)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000467511638 1074537732 /nfs/dbraw/zinc/53/77/32/1074537732.db2.gz QKNWLTJSMWUVGU-LJQANCHMSA-N 1 2 427.523 -0.480 20 0 IBADLO C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000467517075 1074537696 /nfs/dbraw/zinc/53/76/96/1074537696.db2.gz CBHQOAFZDMLLKL-INIZCTEOSA-N 1 2 447.565 0.516 20 0 IBADLO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000467517076 1074537672 /nfs/dbraw/zinc/53/76/72/1074537672.db2.gz CBHQOAFZDMLLKL-MRXNPFEDSA-N 1 2 447.565 0.516 20 0 IBADLO Cc1c(F)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000467648620 1074545520 /nfs/dbraw/zinc/54/55/20/1074545520.db2.gz BKRQHLHSGQRMLN-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO CNc1nc(N2CCN(Cc3ccon3)CC2)nc(N2CCN(Cc3ccon3)CC2)[nH+]1 ZINC000467714687 1074547361 /nfs/dbraw/zinc/54/73/61/1074547361.db2.gz OVBSNCSERKWDRU-UHFFFAOYSA-N 1 2 440.512 -0.044 20 0 IBADLO CNc1nc(N2CCN(c3cnn(C)c3)CC2)[nH+]c(N2CCN(c3cnn(C)c3)CC2)n1 ZINC000467771600 1074547779 /nfs/dbraw/zinc/54/77/79/1074547779.db2.gz QUBLTDNMUIRXSB-UHFFFAOYSA-N 1 2 438.544 -0.545 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467802520 1074548955 /nfs/dbraw/zinc/54/89/55/1074548955.db2.gz GKARETLZZGCHMN-AWEZNQCLSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467802521 1074548839 /nfs/dbraw/zinc/54/88/39/1074548839.db2.gz GKARETLZZGCHMN-CQSZACIVSA-N 1 2 440.522 -0.149 20 0 IBADLO CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000467804028 1074548803 /nfs/dbraw/zinc/54/88/03/1074548803.db2.gz VLLBWGNCFVUMMA-DYESRHJHSA-N 1 2 425.526 -0.015 20 0 IBADLO CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000467804029 1074548787 /nfs/dbraw/zinc/54/87/87/1074548787.db2.gz VLLBWGNCFVUMMA-LAUBAEHRSA-N 1 2 425.526 -0.015 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000467804030 1074548909 /nfs/dbraw/zinc/54/89/09/1074548909.db2.gz VLLBWGNCFVUMMA-UTKZUKDTSA-N 1 2 425.526 -0.015 20 0 IBADLO CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000467804031 1074548890 /nfs/dbraw/zinc/54/88/90/1074548890.db2.gz VLLBWGNCFVUMMA-UWJYYQICSA-N 1 2 425.526 -0.015 20 0 IBADLO C[C@H](O)C[C@@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467817791 1074549325 /nfs/dbraw/zinc/54/93/25/1074549325.db2.gz RVIKZQMJFGZGSK-DLBZAZTESA-N 1 2 441.554 -0.285 20 0 IBADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467817792 1074549293 /nfs/dbraw/zinc/54/92/93/1074549293.db2.gz RVIKZQMJFGZGSK-IAGOWNOFSA-N 1 2 441.554 -0.285 20 0 IBADLO C[C@H](O)C[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467817793 1074549359 /nfs/dbraw/zinc/54/93/59/1074549359.db2.gz RVIKZQMJFGZGSK-IRXDYDNUSA-N 1 2 441.554 -0.285 20 0 IBADLO C[C@@H](O)C[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467817794 1074549402 /nfs/dbraw/zinc/54/94/02/1074549402.db2.gz RVIKZQMJFGZGSK-SJORKVTESA-N 1 2 441.554 -0.285 20 0 IBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467888413 1074552200 /nfs/dbraw/zinc/55/22/00/1074552200.db2.gz TZQZVPWGNZJOIM-AWEZNQCLSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467888413 1074552183 /nfs/dbraw/zinc/55/21/83/1074552183.db2.gz TZQZVPWGNZJOIM-AWEZNQCLSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467888414 1074552753 /nfs/dbraw/zinc/55/27/53/1074552753.db2.gz TZQZVPWGNZJOIM-CQSZACIVSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467888414 1074552747 /nfs/dbraw/zinc/55/27/47/1074552747.db2.gz TZQZVPWGNZJOIM-CQSZACIVSA-N 1 2 440.522 -0.149 20 0 IBADLO Cn1c[nH+]cc1CS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000467930824 1074553728 /nfs/dbraw/zinc/55/37/28/1074553728.db2.gz ICIJPMFOXGVQSC-UHFFFAOYSA-N 1 2 442.519 -0.006 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000467936070 1074554204 /nfs/dbraw/zinc/55/42/04/1074554204.db2.gz VTZPJIYAJFLVCA-UHFFFAOYSA-N 1 2 428.555 -0.238 20 0 IBADLO CC(C)c1nnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000467987431 1074555395 /nfs/dbraw/zinc/55/53/95/1074555395.db2.gz AZSZZVDGHXMPJX-UHFFFAOYSA-N 1 2 431.588 -0.019 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000468007313 1074556674 /nfs/dbraw/zinc/55/66/74/1074556674.db2.gz UZGRZVHFCQVXQO-UHFFFAOYSA-N 1 2 428.493 -0.977 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000468064125 1074559459 /nfs/dbraw/zinc/55/94/59/1074559459.db2.gz ISPSTYZORQDQNR-CVEARBPZSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000468064125 1074559453 /nfs/dbraw/zinc/55/94/53/1074559453.db2.gz ISPSTYZORQDQNR-CVEARBPZSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000468064126 1074559287 /nfs/dbraw/zinc/55/92/87/1074559287.db2.gz ISPSTYZORQDQNR-HOTGVXAUSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000468064126 1074559282 /nfs/dbraw/zinc/55/92/82/1074559282.db2.gz ISPSTYZORQDQNR-HOTGVXAUSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000468064127 1074559500 /nfs/dbraw/zinc/55/95/00/1074559500.db2.gz ISPSTYZORQDQNR-HZPDHXFCSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000468064127 1074559495 /nfs/dbraw/zinc/55/94/95/1074559495.db2.gz ISPSTYZORQDQNR-HZPDHXFCSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000468064128 1074559434 /nfs/dbraw/zinc/55/94/34/1074559434.db2.gz ISPSTYZORQDQNR-JKSUJKDBSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000468064128 1074559430 /nfs/dbraw/zinc/55/94/30/1074559430.db2.gz ISPSTYZORQDQNR-JKSUJKDBSA-N 1 2 432.529 -0.005 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000468075215 1074560261 /nfs/dbraw/zinc/56/02/61/1074560261.db2.gz NDHPAFDDWBMNAN-GOSISDBHSA-N 1 2 430.509 -0.181 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000468075216 1074560181 /nfs/dbraw/zinc/56/01/81/1074560181.db2.gz NDHPAFDDWBMNAN-SFHVURJKSA-N 1 2 430.509 -0.181 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)cc2)CC1 ZINC000468105360 1074561645 /nfs/dbraw/zinc/56/16/45/1074561645.db2.gz YBXGMZBBXFBLKW-UHFFFAOYSA-N 1 2 449.489 -0.317 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c[nH]1 ZINC000468141685 1074562402 /nfs/dbraw/zinc/56/24/02/1074562402.db2.gz IJDNLAMTLAZIHY-UHFFFAOYSA-N 1 2 435.506 -0.385 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000468247059 1074564080 /nfs/dbraw/zinc/56/40/80/1074564080.db2.gz NATWCXUGBCYIGD-UHFFFAOYSA-N 1 2 448.509 -0.422 20 0 IBADLO CCc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000468260980 1074564992 /nfs/dbraw/zinc/56/49/92/1074564992.db2.gz RXNZAJWAGQRPQG-UHFFFAOYSA-N 1 2 449.375 -0.015 20 0 IBADLO C[C@](O)(Cn1ccccc1=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468272691 1074565501 /nfs/dbraw/zinc/56/55/01/1074565501.db2.gz NZXYFOQCWRAHGC-FQEVSTJZSA-N 1 2 449.533 -0.738 20 0 IBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468272692 1074565440 /nfs/dbraw/zinc/56/54/40/1074565440.db2.gz NZXYFOQCWRAHGC-HXUWFJFHSA-N 1 2 449.533 -0.738 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000468280310 1074565923 /nfs/dbraw/zinc/56/59/23/1074565923.db2.gz IVTFNKFVKGADGE-UHFFFAOYSA-N 1 2 434.603 -0.414 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CCOCC3=O)cc2)CC1 ZINC000468287117 1074566277 /nfs/dbraw/zinc/56/62/77/1074566277.db2.gz IVSWWYPTPDQUHV-UHFFFAOYSA-N 1 2 432.521 -0.253 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000468293459 1074566720 /nfs/dbraw/zinc/56/67/20/1074566720.db2.gz YTXNKROZMNJXBT-UHFFFAOYSA-N 1 2 436.490 -0.195 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000468332582 1074568589 /nfs/dbraw/zinc/56/85/89/1074568589.db2.gz SMPKDQLKEIDQKN-UHFFFAOYSA-N 1 2 427.523 -0.058 20 0 IBADLO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000468337806 1074569094 /nfs/dbraw/zinc/56/90/94/1074569094.db2.gz GRQUXFOSKSVPNI-NRFANRHFSA-N 1 2 428.493 -0.425 20 0 IBADLO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000468337806 1074569089 /nfs/dbraw/zinc/56/90/89/1074569089.db2.gz GRQUXFOSKSVPNI-NRFANRHFSA-N 1 2 428.493 -0.425 20 0 IBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000468337807 1074569076 /nfs/dbraw/zinc/56/90/76/1074569076.db2.gz GRQUXFOSKSVPNI-OAQYLSRUSA-N 1 2 428.493 -0.425 20 0 IBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000468337807 1074569071 /nfs/dbraw/zinc/56/90/71/1074569071.db2.gz GRQUXFOSKSVPNI-OAQYLSRUSA-N 1 2 428.493 -0.425 20 0 IBADLO Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)c1 ZINC000468339123 1074569000 /nfs/dbraw/zinc/56/90/00/1074569000.db2.gz KVZGOCKUYQQXJY-JOCHJYFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)c1 ZINC000468339123 1074568995 /nfs/dbraw/zinc/56/89/95/1074568995.db2.gz KVZGOCKUYQQXJY-JOCHJYFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1ccn(C[C@](C)(O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)c1 ZINC000468339129 1074569030 /nfs/dbraw/zinc/56/90/30/1074569030.db2.gz KVZGOCKUYQQXJY-QFIPXVFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1ccn(C[C@](C)(O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)c1 ZINC000468339129 1074569024 /nfs/dbraw/zinc/56/90/24/1074569024.db2.gz KVZGOCKUYQQXJY-QFIPXVFZSA-N 1 2 442.520 -0.117 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000468411183 1074571121 /nfs/dbraw/zinc/57/11/21/1074571121.db2.gz GSESYYSBLOTHBI-UHFFFAOYSA-N 1 2 449.533 -0.004 20 0 IBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000468431306 1074572719 /nfs/dbraw/zinc/57/27/19/1074572719.db2.gz VCIXNMAXFJHRRD-UHFFFAOYSA-N 1 2 434.588 -0.810 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1)N1CCOCC1 ZINC000468444700 1074574126 /nfs/dbraw/zinc/57/41/26/1074574126.db2.gz RKWAWOGBHNXACP-UHFFFAOYSA-N 1 2 440.504 0.025 20 0 IBADLO CCN1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000468455306 1074574943 /nfs/dbraw/zinc/57/49/43/1074574943.db2.gz BOADSWQEWHXUKW-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000468460753 1074575423 /nfs/dbraw/zinc/57/54/23/1074575423.db2.gz RCBAHKRIAFSMDC-CVEARBPZSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000468460754 1074575530 /nfs/dbraw/zinc/57/55/30/1074575530.db2.gz RCBAHKRIAFSMDC-HOTGVXAUSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000468460755 1074575403 /nfs/dbraw/zinc/57/54/03/1074575403.db2.gz RCBAHKRIAFSMDC-HZPDHXFCSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000468460756 1074575308 /nfs/dbraw/zinc/57/53/08/1074575308.db2.gz RCBAHKRIAFSMDC-JKSUJKDBSA-N 1 2 427.527 -0.675 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)n1)N1CCOCC1 ZINC000468465028 1074575998 /nfs/dbraw/zinc/57/59/98/1074575998.db2.gz BISXZJGZRLHDFC-UHFFFAOYSA-N 1 2 437.460 0.183 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n1)N1CCOCC1 ZINC000468466880 1074576030 /nfs/dbraw/zinc/57/60/30/1074576030.db2.gz KDEVFLMUWGAYSN-UHFFFAOYSA-N 1 2 446.533 -0.084 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1)N1CCOCC1 ZINC000468466880 1074576023 /nfs/dbraw/zinc/57/60/23/1074576023.db2.gz KDEVFLMUWGAYSN-UHFFFAOYSA-N 1 2 446.533 -0.084 20 0 IBADLO CNC(=O)[C@H]1CCCN(c2nc(NCCOC)nc(N3CCC[C@H](C(=O)NC)C3)[nH+]2)C1 ZINC000468625499 1074580826 /nfs/dbraw/zinc/58/08/26/1074580826.db2.gz PYUYMVJBSJHMOR-GJZGRUSLSA-N 1 2 434.545 -0.723 20 0 IBADLO CNC(=O)[C@@H]1CCCN(c2nc(NCCOC)nc(N3CCC[C@@H](C(=O)NC)C3)[nH+]2)C1 ZINC000468625500 1074580978 /nfs/dbraw/zinc/58/09/78/1074580978.db2.gz PYUYMVJBSJHMOR-HUUCEWRRSA-N 1 2 434.545 -0.723 20 0 IBADLO COCCNc1nc(N2CCC(CC(N)=O)CC2)[nH+]c(N2CCC(CC(N)=O)CC2)n1 ZINC000468642548 1074582076 /nfs/dbraw/zinc/58/20/76/1074582076.db2.gz KVPVVOKUHOPCBV-UHFFFAOYSA-N 1 2 434.545 -0.465 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468707866 1074586020 /nfs/dbraw/zinc/58/60/20/1074586020.db2.gz VBFRIOMKFXSVRO-UHFFFAOYSA-N 1 2 437.566 -0.057 20 0 IBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468718927 1074586822 /nfs/dbraw/zinc/58/68/22/1074586822.db2.gz ZXLLBYCCYHDFLU-HNNXBMFYSA-N 1 2 435.550 -0.259 20 0 IBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468718928 1074586780 /nfs/dbraw/zinc/58/67/80/1074586780.db2.gz ZXLLBYCCYHDFLU-OAHLLOKOSA-N 1 2 435.550 -0.259 20 0 IBADLO O=C(c1ccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000468719747 1074586903 /nfs/dbraw/zinc/58/69/03/1074586903.db2.gz YWJRJEMJPKSBRR-UHFFFAOYSA-N 1 2 449.577 0.308 20 0 IBADLO CCN1CCCN(c2nc(N3CCOCC3)nc(N3CCCN(CC)C(=O)C3)[nH+]2)CC1=O ZINC000468732384 1074587763 /nfs/dbraw/zinc/58/77/63/1074587763.db2.gz FRQTYUQAILYDGH-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO CCN1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCCN(CC)C(=O)C3)n2)CC1=O ZINC000468732384 1074587754 /nfs/dbraw/zinc/58/77/54/1074587754.db2.gz FRQTYUQAILYDGH-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO CCN1CCCN(c2nc(NCCOC)nc(N3CCCN(CC)C(=O)C3)[nH+]2)CC1=O ZINC000468740916 1074588097 /nfs/dbraw/zinc/58/80/97/1074588097.db2.gz UZLIYSFWLZYUDA-UHFFFAOYSA-N 1 2 434.545 -0.531 20 0 IBADLO CCN1CCCN(c2nc(NCCOC)[nH+]c(N3CCCN(CC)C(=O)C3)n2)CC1=O ZINC000468740916 1074588085 /nfs/dbraw/zinc/58/80/85/1074588085.db2.gz UZLIYSFWLZYUDA-UHFFFAOYSA-N 1 2 434.545 -0.531 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1C ZINC000468816535 1074590481 /nfs/dbraw/zinc/59/04/81/1074590481.db2.gz DPFDLXYVRKCKHW-KRWDZBQOSA-N 1 2 443.556 -0.033 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1C ZINC000468816535 1074590471 /nfs/dbraw/zinc/59/04/71/1074590471.db2.gz DPFDLXYVRKCKHW-KRWDZBQOSA-N 1 2 443.556 -0.033 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1C ZINC000468816617 1074590406 /nfs/dbraw/zinc/59/04/06/1074590406.db2.gz DPFDLXYVRKCKHW-QGZVFWFLSA-N 1 2 443.556 -0.033 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1C ZINC000468816617 1074590397 /nfs/dbraw/zinc/59/03/97/1074590397.db2.gz DPFDLXYVRKCKHW-QGZVFWFLSA-N 1 2 443.556 -0.033 20 0 IBADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000468820023 1074590988 /nfs/dbraw/zinc/59/09/88/1074590988.db2.gz DWUZFLFZQZAFTL-AWEZNQCLSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000468820023 1074590982 /nfs/dbraw/zinc/59/09/82/1074590982.db2.gz DWUZFLFZQZAFTL-AWEZNQCLSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000468820150 1074590890 /nfs/dbraw/zinc/59/08/90/1074590890.db2.gz DWUZFLFZQZAFTL-CQSZACIVSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000468820150 1074590884 /nfs/dbraw/zinc/59/08/84/1074590884.db2.gz DWUZFLFZQZAFTL-CQSZACIVSA-N 1 2 431.497 -0.271 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)n1)N1CCOCC1 ZINC000468840902 1074591330 /nfs/dbraw/zinc/59/13/30/1074591330.db2.gz CVKOVCIXBCWLSO-UHFFFAOYSA-N 1 2 429.481 0.084 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H](C)O1 ZINC000468879935 1074592522 /nfs/dbraw/zinc/59/25/22/1074592522.db2.gz HVRQFBHBCMIKOW-IYBDPMFKSA-N 1 2 438.550 -0.012 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H](C)O1 ZINC000468879935 1074592513 /nfs/dbraw/zinc/59/25/13/1074592513.db2.gz HVRQFBHBCMIKOW-IYBDPMFKSA-N 1 2 438.550 -0.012 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1)N1CCOCC1 ZINC000468915129 1074594434 /nfs/dbraw/zinc/59/44/34/1074594434.db2.gz HMCPYGGXMLNSAA-UHFFFAOYSA-N 1 2 437.460 0.183 20 0 IBADLO CO[C@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000468964757 1074595560 /nfs/dbraw/zinc/59/55/60/1074595560.db2.gz JZGHWTBATKHUHZ-CYBMUJFWSA-N 1 2 431.481 -0.227 20 0 IBADLO CO[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000468964980 1074595665 /nfs/dbraw/zinc/59/56/65/1074595665.db2.gz JZGHWTBATKHUHZ-ZDUSSCGKSA-N 1 2 431.481 -0.227 20 0 IBADLO O=C(CCNC(=O)c1cc(N2CCNC(=O)C2)ccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000468972951 1074595636 /nfs/dbraw/zinc/59/56/36/1074595636.db2.gz OUERLQGXDJCWRZ-UHFFFAOYSA-N 1 2 437.504 -0.119 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOCC2(C)C)s1 ZINC000468977442 1071550115 /nfs/dbraw/zinc/55/01/15/1071550115.db2.gz MHFWGJJWNWMLQH-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOCC2(C)C)s1 ZINC000468977442 1071550100 /nfs/dbraw/zinc/55/01/00/1071550100.db2.gz MHFWGJJWNWMLQH-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO Cc1nc(Cn2cc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)nn2)no1 ZINC000468990174 1074595999 /nfs/dbraw/zinc/59/59/99/1074595999.db2.gz OBYRTZSCGMMWIQ-UHFFFAOYSA-N 1 2 425.453 -0.118 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3[nH]c(=O)[nH]c(=O)c3N)cc2)CC1 ZINC000468993214 1074596466 /nfs/dbraw/zinc/59/64/66/1074596466.db2.gz OKNGDIXONCXMFU-UHFFFAOYSA-N 1 2 444.492 -0.015 20 0 IBADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000469060557 1074597771 /nfs/dbraw/zinc/59/77/71/1074597771.db2.gz WCYUJNKIOUEZMC-UHFFFAOYSA-N 1 2 434.522 -0.134 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000469102582 1074598593 /nfs/dbraw/zinc/59/85/93/1074598593.db2.gz QHWJZKMSECWNDU-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000469102582 1074598585 /nfs/dbraw/zinc/59/85/85/1074598585.db2.gz QHWJZKMSECWNDU-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO COc1ccccc1C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000469122969 1074599430 /nfs/dbraw/zinc/59/94/30/1074599430.db2.gz YHTSWGSKGULGEX-UHFFFAOYSA-N 1 2 435.506 -0.255 20 0 IBADLO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000469176653 1074602199 /nfs/dbraw/zinc/60/21/99/1074602199.db2.gz XPXCBIQEZOTPPQ-PMACEKPBSA-N 1 2 436.578 -0.187 20 0 IBADLO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000469176767 1074602124 /nfs/dbraw/zinc/60/21/24/1074602124.db2.gz XPXCBIQEZOTPPQ-UXHICEINSA-N 1 2 436.578 -0.187 20 0 IBADLO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000469178084 1074602940 /nfs/dbraw/zinc/60/29/40/1074602940.db2.gz XPXCBIQEZOTPPQ-VQTJNVASSA-N 1 2 436.578 -0.187 20 0 IBADLO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000469178106 1074602904 /nfs/dbraw/zinc/60/29/04/1074602904.db2.gz XPXCBIQEZOTPPQ-WOJBJXKFSA-N 1 2 436.578 -0.187 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 ZINC000469184440 1074602841 /nfs/dbraw/zinc/60/28/41/1074602841.db2.gz FTALWNWXXJMHAR-UHFFFAOYSA-N 1 2 443.541 -0.732 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469185044 1073325498 /nfs/dbraw/zinc/32/54/98/1073325498.db2.gz MQUILRIAOKMZJT-INIZCTEOSA-N 1 2 428.493 0.555 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469185094 1073325113 /nfs/dbraw/zinc/32/51/13/1073325113.db2.gz MQUILRIAOKMZJT-MRXNPFEDSA-N 1 2 428.493 0.555 20 0 IBADLO COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000469230360 1074604841 /nfs/dbraw/zinc/60/48/41/1074604841.db2.gz RFWVFINMFYBJON-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000469252730 1074606086 /nfs/dbraw/zinc/60/60/86/1074606086.db2.gz OKSFQMMWTUBWEZ-UHFFFAOYSA-N 1 2 426.499 -0.280 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)s1 ZINC000469299902 1074607796 /nfs/dbraw/zinc/60/77/96/1074607796.db2.gz XQQXTSAXNWDLLQ-CHWSQXEVSA-N 1 2 432.568 -0.112 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)s1 ZINC000469299951 1074607840 /nfs/dbraw/zinc/60/78/40/1074607840.db2.gz XQQXTSAXNWDLLQ-OLZOCXBDSA-N 1 2 432.568 -0.112 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)s1 ZINC000469299954 1074607846 /nfs/dbraw/zinc/60/78/46/1074607846.db2.gz XQQXTSAXNWDLLQ-QWHCGFSZSA-N 1 2 432.568 -0.112 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)s1 ZINC000469299962 1074607779 /nfs/dbraw/zinc/60/77/79/1074607779.db2.gz XQQXTSAXNWDLLQ-STQMWFEESA-N 1 2 432.568 -0.112 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOC(C)(C)C2)s1 ZINC000469323203 1074608806 /nfs/dbraw/zinc/60/88/06/1074608806.db2.gz SKCNBYCQAWOZRG-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOC(C)(C)C2)s1 ZINC000469323203 1074608801 /nfs/dbraw/zinc/60/88/01/1074608801.db2.gz SKCNBYCQAWOZRG-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000469348067 1074609756 /nfs/dbraw/zinc/60/97/56/1074609756.db2.gz YCJZELAGGVQCNO-DLBZAZTESA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000469348109 1074609722 /nfs/dbraw/zinc/60/97/22/1074609722.db2.gz YCJZELAGGVQCNO-IAGOWNOFSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000469348114 1074609819 /nfs/dbraw/zinc/60/98/19/1074609819.db2.gz YCJZELAGGVQCNO-IRXDYDNUSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000469348119 1074609791 /nfs/dbraw/zinc/60/97/91/1074609791.db2.gz YCJZELAGGVQCNO-SJORKVTESA-N 1 2 428.555 -0.806 20 0 IBADLO Cc1noc(Cn2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2=O)n1 ZINC000469373463 1071312074 /nfs/dbraw/zinc/31/20/74/1071312074.db2.gz OGZLTDIHXNZZCI-INIZCTEOSA-N 1 2 430.465 -0.749 20 0 IBADLO Cc1noc(Cn2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2=O)n1 ZINC000469373464 1071312127 /nfs/dbraw/zinc/31/21/27/1071312127.db2.gz OGZLTDIHXNZZCI-MRXNPFEDSA-N 1 2 430.465 -0.749 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@]2(CCOC2)C1 ZINC000469384017 1074611733 /nfs/dbraw/zinc/61/17/33/1074611733.db2.gz OIDJTTDCDOHAAV-IBGZPJMESA-N 1 2 439.538 -0.266 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@]2(CCOC2)C1 ZINC000469384018 1074611741 /nfs/dbraw/zinc/61/17/41/1074611741.db2.gz OIDJTTDCDOHAAV-LJQANCHMSA-N 1 2 439.538 -0.266 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000469514340 1074619495 /nfs/dbraw/zinc/61/94/95/1074619495.db2.gz VRWZWTLITUNKGK-GOSISDBHSA-N 1 2 428.511 -0.384 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000469514340 1074619490 /nfs/dbraw/zinc/61/94/90/1074619490.db2.gz VRWZWTLITUNKGK-GOSISDBHSA-N 1 2 428.511 -0.384 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000469514341 1074619589 /nfs/dbraw/zinc/61/95/89/1074619589.db2.gz VRWZWTLITUNKGK-SFHVURJKSA-N 1 2 428.511 -0.384 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000469514341 1074619586 /nfs/dbraw/zinc/61/95/86/1074619586.db2.gz VRWZWTLITUNKGK-SFHVURJKSA-N 1 2 428.511 -0.384 20 0 IBADLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000469522208 1074619975 /nfs/dbraw/zinc/61/99/75/1074619975.db2.gz PLAJMOVPBAXYBV-DENIHFKCSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000469522208 1074619969 /nfs/dbraw/zinc/61/99/69/1074619969.db2.gz PLAJMOVPBAXYBV-DENIHFKCSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000469522209 1074620039 /nfs/dbraw/zinc/62/00/39/1074620039.db2.gz PLAJMOVPBAXYBV-KNQAVFIVSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000469522209 1074620031 /nfs/dbraw/zinc/62/00/31/1074620031.db2.gz PLAJMOVPBAXYBV-KNQAVFIVSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000469522210 1074620128 /nfs/dbraw/zinc/62/01/28/1074620128.db2.gz PLAJMOVPBAXYBV-SIKLNZKXSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000469522210 1074620126 /nfs/dbraw/zinc/62/01/26/1074620126.db2.gz PLAJMOVPBAXYBV-SIKLNZKXSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000469522211 1074620119 /nfs/dbraw/zinc/62/01/19/1074620119.db2.gz PLAJMOVPBAXYBV-UGKGYDQZSA-N 1 2 431.489 -0.012 20 0 IBADLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000469522211 1074620116 /nfs/dbraw/zinc/62/01/16/1074620116.db2.gz PLAJMOVPBAXYBV-UGKGYDQZSA-N 1 2 431.489 -0.012 20 0 IBADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469534367 1074620547 /nfs/dbraw/zinc/62/05/47/1074620547.db2.gz ZNPIIVHARFANAL-UHFFFAOYSA-N 1 2 442.586 -0.485 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000469543812 1074621792 /nfs/dbraw/zinc/62/17/92/1074621792.db2.gz BTTKZNZZEAOQLE-DOMZBBRYSA-N 1 2 425.449 -0.123 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000469543813 1074621651 /nfs/dbraw/zinc/62/16/51/1074621651.db2.gz BTTKZNZZEAOQLE-IUODEOHRSA-N 1 2 425.449 -0.123 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000469543814 1074621805 /nfs/dbraw/zinc/62/18/05/1074621805.db2.gz BTTKZNZZEAOQLE-SWLSCSKDSA-N 1 2 425.449 -0.123 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000469543815 1074621558 /nfs/dbraw/zinc/62/15/58/1074621558.db2.gz BTTKZNZZEAOQLE-WFASDCNBSA-N 1 2 425.449 -0.123 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)n1)N1CCOCC1 ZINC000469545458 1074621600 /nfs/dbraw/zinc/62/16/00/1074621600.db2.gz TXHLAJZSSXRZCR-INIZCTEOSA-N 1 2 428.449 -0.245 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000469548410 1074621518 /nfs/dbraw/zinc/62/15/18/1074621518.db2.gz ZLNUKHZUNHGGGL-MSOLQXFVSA-N 1 2 428.489 -0.445 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000469548411 1074621638 /nfs/dbraw/zinc/62/16/38/1074621638.db2.gz ZLNUKHZUNHGGGL-QZTJIDSGSA-N 1 2 428.489 -0.445 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000469548412 1074621729 /nfs/dbraw/zinc/62/17/29/1074621729.db2.gz ZLNUKHZUNHGGGL-ROUUACIJSA-N 1 2 428.489 -0.445 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000469548413 1074621694 /nfs/dbraw/zinc/62/16/94/1074621694.db2.gz ZLNUKHZUNHGGGL-ZWKOTPCHSA-N 1 2 428.489 -0.445 20 0 IBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000469550919 1074622279 /nfs/dbraw/zinc/62/22/79/1074622279.db2.gz AHUPTAQHONRYKQ-AWEZNQCLSA-N 1 2 427.527 -0.636 20 0 IBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000469550920 1074622229 /nfs/dbraw/zinc/62/22/29/1074622229.db2.gz AHUPTAQHONRYKQ-CQSZACIVSA-N 1 2 427.527 -0.636 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000469558087 1073354750 /nfs/dbraw/zinc/35/47/50/1073354750.db2.gz GEVWXCBKVLEKRV-CVEARBPZSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000469558088 1073312818 /nfs/dbraw/zinc/31/28/18/1073312818.db2.gz GEVWXCBKVLEKRV-HOTGVXAUSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000469558089 1073354788 /nfs/dbraw/zinc/35/47/88/1073354788.db2.gz GEVWXCBKVLEKRV-HZPDHXFCSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000469558090 1074622725 /nfs/dbraw/zinc/62/27/25/1074622725.db2.gz GEVWXCBKVLEKRV-JKSUJKDBSA-N 1 2 429.481 -0.013 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000469586460 1074623879 /nfs/dbraw/zinc/62/38/79/1074623879.db2.gz FXNXZYKZCUWQRZ-OAHLLOKOSA-N 1 2 444.579 -0.014 20 0 IBADLO CCC1(CC)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[S@@]1=O ZINC000469635745 1074625420 /nfs/dbraw/zinc/62/54/20/1074625420.db2.gz ZQMPOPIZWNPBCR-GDLZYMKVSA-N 1 2 425.555 0.304 20 0 IBADLO CCC1(CC)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[S@]1=O ZINC000469635746 1074625413 /nfs/dbraw/zinc/62/54/13/1074625413.db2.gz ZQMPOPIZWNPBCR-LJAQVGFWSA-N 1 2 425.555 0.304 20 0 IBADLO COCCN1CCCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000469684965 1074626493 /nfs/dbraw/zinc/62/64/93/1074626493.db2.gz LIVLRBGBGVZTKW-UHFFFAOYSA-N 1 2 430.513 -0.807 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469744131 1074628004 /nfs/dbraw/zinc/62/80/04/1074628004.db2.gz YHUKMFQWCFQUSG-HNNXBMFYSA-N 1 2 449.533 -0.016 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469744132 1074627912 /nfs/dbraw/zinc/62/79/12/1074627912.db2.gz YHUKMFQWCFQUSG-OAHLLOKOSA-N 1 2 449.533 -0.016 20 0 IBADLO CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000469754237 1074628518 /nfs/dbraw/zinc/62/85/18/1074628518.db2.gz XHCCUXZWTGYBEZ-UHFFFAOYSA-N 1 2 425.559 -0.336 20 0 IBADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469820869 1074629097 /nfs/dbraw/zinc/62/90/97/1074629097.db2.gz MDWCLBSZTHRWRP-UHFFFAOYSA-N 1 2 449.533 -0.063 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1C ZINC000469847016 1074629702 /nfs/dbraw/zinc/62/97/02/1074629702.db2.gz RQGHIICWTJUVPA-UHFFFAOYSA-N 1 2 429.529 -0.469 20 0 IBADLO Cc1nnc(CN(C)CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1C ZINC000469847016 1074629697 /nfs/dbraw/zinc/62/96/97/1074629697.db2.gz RQGHIICWTJUVPA-UHFFFAOYSA-N 1 2 429.529 -0.469 20 0 IBADLO CS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000469873785 1074630169 /nfs/dbraw/zinc/63/01/69/1074630169.db2.gz TYPXKHGFLUBWAM-UHFFFAOYSA-N 1 2 440.566 -0.409 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[nH+]cn1 ZINC000469957119 1074634681 /nfs/dbraw/zinc/63/46/81/1074634681.db2.gz RWXOCQKJFWEUGO-AWEZNQCLSA-N 1 2 441.558 -0.563 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)nc[nH+]1 ZINC000469957119 1074634678 /nfs/dbraw/zinc/63/46/78/1074634678.db2.gz RWXOCQKJFWEUGO-AWEZNQCLSA-N 1 2 441.558 -0.563 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[nH+]cn1 ZINC000469957120 1074634574 /nfs/dbraw/zinc/63/45/74/1074634574.db2.gz RWXOCQKJFWEUGO-CQSZACIVSA-N 1 2 441.558 -0.563 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)nc[nH+]1 ZINC000469957120 1074634570 /nfs/dbraw/zinc/63/45/70/1074634570.db2.gz RWXOCQKJFWEUGO-CQSZACIVSA-N 1 2 441.558 -0.563 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1)Nc1nncs1 ZINC000469957217 1074635202 /nfs/dbraw/zinc/63/52/02/1074635202.db2.gz MCEYQZVLKOTKAI-UHFFFAOYSA-N 1 2 430.538 -0.162 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c[nH]1 ZINC000469982874 1074636534 /nfs/dbraw/zinc/63/65/34/1074636534.db2.gz NXGDLLCXZGKNBZ-INIZCTEOSA-N 1 2 449.533 -0.548 20 0 IBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c[nH]1 ZINC000469982875 1074636472 /nfs/dbraw/zinc/63/64/72/1074636472.db2.gz NXGDLLCXZGKNBZ-MRXNPFEDSA-N 1 2 449.533 -0.548 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C(N)=O)C3)CC2)cc1 ZINC000470003745 1074637948 /nfs/dbraw/zinc/63/79/48/1074637948.db2.gz TVDULPYBEZWZMT-JFIYKMOQSA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C(N)=O)C3)CC2)cc1 ZINC000470003745 1074637943 /nfs/dbraw/zinc/63/79/43/1074637943.db2.gz TVDULPYBEZWZMT-JFIYKMOQSA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3C[C@@H](C)O[C@H](C(N)=O)C3)CC2)cc1 ZINC000470003746 1074637879 /nfs/dbraw/zinc/63/78/79/1074637879.db2.gz TVDULPYBEZWZMT-NUJGCVRESA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3C[C@@H](C)O[C@H](C(N)=O)C3)CC2)cc1 ZINC000470003746 1074637871 /nfs/dbraw/zinc/63/78/71/1074637871.db2.gz TVDULPYBEZWZMT-NUJGCVRESA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3C[C@@H](C)O[C@H](C(N)=O)C3)CC2)cc1 ZINC000470003747 1074637982 /nfs/dbraw/zinc/63/79/82/1074637982.db2.gz TVDULPYBEZWZMT-RYRKJORJSA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H](C)O[C@H](C(N)=O)C3)CC2)cc1 ZINC000470003747 1074637980 /nfs/dbraw/zinc/63/79/80/1074637980.db2.gz TVDULPYBEZWZMT-RYRKJORJSA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C(N)=O)C3)CC2)cc1 ZINC000470003748 1074637972 /nfs/dbraw/zinc/63/79/72/1074637972.db2.gz TVDULPYBEZWZMT-SOLBZPMBSA-N 1 2 438.550 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C(N)=O)C3)CC2)cc1 ZINC000470003748 1074637969 /nfs/dbraw/zinc/63/79/69/1074637969.db2.gz TVDULPYBEZWZMT-SOLBZPMBSA-N 1 2 438.550 -0.209 20 0 IBADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000470178978 1074644281 /nfs/dbraw/zinc/64/42/81/1074644281.db2.gz QMXIQJILXCEREU-JYJNAYRXSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000470178978 1074644278 /nfs/dbraw/zinc/64/42/78/1074644278.db2.gz QMXIQJILXCEREU-JYJNAYRXSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000470178979 1074644352 /nfs/dbraw/zinc/64/43/52/1074644352.db2.gz QMXIQJILXCEREU-OAGGEKHMSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000470178979 1074644351 /nfs/dbraw/zinc/64/43/51/1074644351.db2.gz QMXIQJILXCEREU-OAGGEKHMSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000470178980 1074644265 /nfs/dbraw/zinc/64/42/65/1074644265.db2.gz QMXIQJILXCEREU-PMPSAXMXSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000470178980 1074644264 /nfs/dbraw/zinc/64/42/64/1074644264.db2.gz QMXIQJILXCEREU-PMPSAXMXSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000470178981 1074644255 /nfs/dbraw/zinc/64/42/55/1074644255.db2.gz QMXIQJILXCEREU-XHSDSOJGSA-N 1 2 433.513 -0.386 20 0 IBADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000470178981 1074644252 /nfs/dbraw/zinc/64/42/52/1074644252.db2.gz QMXIQJILXCEREU-XHSDSOJGSA-N 1 2 433.513 -0.386 20 0 IBADLO CCOC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)([NH+]2CCOCC2)C1 ZINC000470207975 1074645917 /nfs/dbraw/zinc/64/59/17/1074645917.db2.gz FQXDVXZHHJFNBS-KSTDHSDQSA-N 1 2 429.543 -0.527 20 0 IBADLO CCOC1CC(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)([NH+]2CCOCC2)C1 ZINC000470207978 1074645986 /nfs/dbraw/zinc/64/59/86/1074645986.db2.gz FQXDVXZHHJFNBS-SYJJWHGVSA-N 1 2 429.543 -0.527 20 0 IBADLO CCOC1CC(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)([NH+]2CCOCC2)C1 ZINC000470210182 1074645969 /nfs/dbraw/zinc/64/59/69/1074645969.db2.gz SNWIUPNFCRWLKU-UHFFFAOYSA-N 1 2 448.524 -0.790 20 0 IBADLO CCOC1CC(CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)([NH+]2CCOCC2)C1 ZINC000470212202 1074645833 /nfs/dbraw/zinc/64/58/33/1074645833.db2.gz RNEAREKWYPEDNE-UHFFFAOYSA-N 1 2 443.570 -0.217 20 0 IBADLO CCOC1CC(CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)([NH+]2CCOCC2)C1 ZINC000470215810 1074646179 /nfs/dbraw/zinc/64/61/79/1074646179.db2.gz MZDWBSSMSLXFKI-UHFFFAOYSA-N 1 2 429.543 -0.607 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000470220425 1074646198 /nfs/dbraw/zinc/64/61/98/1074646198.db2.gz YIPCBABQMUABIJ-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000470222614 1074646287 /nfs/dbraw/zinc/64/62/87/1074646287.db2.gz ICIGKNOOTKBVFA-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000470348863 1074651700 /nfs/dbraw/zinc/65/17/00/1074651700.db2.gz ANJXRLQTRKPLPG-INIZCTEOSA-N 1 2 442.524 -0.022 20 0 IBADLO O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000470348864 1074651598 /nfs/dbraw/zinc/65/15/98/1074651598.db2.gz ANJXRLQTRKPLPG-MRXNPFEDSA-N 1 2 442.524 -0.022 20 0 IBADLO Cc1cc(O)cc(=O)n1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000470358736 1074651574 /nfs/dbraw/zinc/65/15/74/1074651574.db2.gz GBBXACLPIUTRAJ-UHFFFAOYSA-N 1 2 435.506 -0.474 20 0 IBADLO COCCN(C(=O)C[N@H+]1CCSC[C@@H]1CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000470369676 1074652218 /nfs/dbraw/zinc/65/22/18/1074652218.db2.gz PJTGGEYEXCDCBP-AWEZNQCLSA-N 1 2 443.570 -0.034 20 0 IBADLO COCCN(C(=O)C[N@@H+]1CCSC[C@@H]1CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000470369676 1074652212 /nfs/dbraw/zinc/65/22/12/1074652212.db2.gz PJTGGEYEXCDCBP-AWEZNQCLSA-N 1 2 443.570 -0.034 20 0 IBADLO COCCN(C(=O)C[N@H+]1CCSC[C@H]1CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000470369677 1074652124 /nfs/dbraw/zinc/65/21/24/1074652124.db2.gz PJTGGEYEXCDCBP-CQSZACIVSA-N 1 2 443.570 -0.034 20 0 IBADLO COCCN(C(=O)C[N@@H+]1CCSC[C@H]1CCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000470369677 1074652118 /nfs/dbraw/zinc/65/21/18/1074652118.db2.gz PJTGGEYEXCDCBP-CQSZACIVSA-N 1 2 443.570 -0.034 20 0 IBADLO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000470373947 1074652244 /nfs/dbraw/zinc/65/22/44/1074652244.db2.gz GUVWHSUZSWKMJR-UHFFFAOYSA-N 1 2 440.566 -0.409 20 0 IBADLO O=C(Cn1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1)N1CCOCC1 ZINC000470381561 1073321692 /nfs/dbraw/zinc/32/16/92/1073321692.db2.gz DQYZZVWMRXCMCJ-UHFFFAOYSA-N 1 2 432.485 -0.085 20 0 IBADLO CC(C)Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000470789427 1074662492 /nfs/dbraw/zinc/66/24/92/1074662492.db2.gz KTCHOGFWMVIPRT-UHFFFAOYSA-N 1 2 434.588 -0.662 20 0 IBADLO CC(C)(C(N)=O)[NH+]1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000470975471 1074669584 /nfs/dbraw/zinc/66/95/84/1074669584.db2.gz OACQXTOPQCVPSI-UHFFFAOYSA-N 1 2 440.566 -0.032 20 0 IBADLO CC(C)(C(N)=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000470975471 1074669581 /nfs/dbraw/zinc/66/95/81/1074669581.db2.gz OACQXTOPQCVPSI-UHFFFAOYSA-N 1 2 440.566 -0.032 20 0 IBADLO NC(=O)NC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000471015247 1074675642 /nfs/dbraw/zinc/67/56/42/1074675642.db2.gz UKMBINMPYIBGDZ-UHFFFAOYSA-N 1 2 425.511 -0.221 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(=O)n(C)c1=O ZINC000471019258 1074675445 /nfs/dbraw/zinc/67/54/45/1074675445.db2.gz ADOGIYVWFLZUOO-FQEVSTJZSA-N 1 2 434.497 -0.722 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(=O)n(C)c1=O ZINC000471019259 1074675626 /nfs/dbraw/zinc/67/56/26/1074675626.db2.gz ADOGIYVWFLZUOO-HXUWFJFHSA-N 1 2 434.497 -0.722 20 0 IBADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000471027233 1074676153 /nfs/dbraw/zinc/67/61/53/1074676153.db2.gz CZLNDCWQIRZCBQ-UHFFFAOYSA-N 1 2 425.511 -0.221 20 0 IBADLO Cc1nsc(N2CCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)CC2)n1 ZINC000471031627 1074676489 /nfs/dbraw/zinc/67/64/89/1074676489.db2.gz XIISLQXQDQDXCQ-UHFFFAOYSA-N 1 2 442.553 -0.006 20 0 IBADLO NS(=O)(=O)CCN1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000471035266 1074677063 /nfs/dbraw/zinc/67/70/63/1074677063.db2.gz KUJNEAUOGSMTLC-UHFFFAOYSA-N 1 2 439.582 -0.959 20 0 IBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(CCS(N)(=O)=O)CC3)CC2)cc1 ZINC000471035339 1074676557 /nfs/dbraw/zinc/67/65/57/1074676557.db2.gz LTQLCSHYRKYIRQ-UHFFFAOYSA-N 1 2 439.582 -0.755 20 0 IBADLO NS(=O)(=O)CCN1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000471035466 1074677108 /nfs/dbraw/zinc/67/71/08/1074677108.db2.gz NCFMWNQRNUCYCT-UHFFFAOYSA-N 1 2 425.555 -0.637 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)OCC(=O)N2C)cn1 ZINC000471085627 1074680087 /nfs/dbraw/zinc/68/00/87/1074680087.db2.gz IPLQSTIJFPSLQN-RBUKOAKNSA-N 1 2 441.492 -0.260 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000471087951 1074680824 /nfs/dbraw/zinc/68/08/24/1074680824.db2.gz WINPEWWCIMTNSY-UHFFFAOYSA-N 1 2 446.508 -0.885 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)OCC(=O)N2C)cn1 ZINC000471161434 1070818279 /nfs/dbraw/zinc/81/82/79/1070818279.db2.gz OVOBRIQBRBACGX-VQTJNVASSA-N 1 2 426.477 -0.200 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)OCC(=O)N2C)cn1 ZINC000471161434 1070818252 /nfs/dbraw/zinc/81/82/52/1070818252.db2.gz OVOBRIQBRBACGX-VQTJNVASSA-N 1 2 426.477 -0.200 20 0 IBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)c3cccc(O)c3)CC1)c(=O)n2C ZINC000471168655 1070821845 /nfs/dbraw/zinc/82/18/45/1070821845.db2.gz JYDJOAFBEMIWJA-UHFFFAOYSA-N 1 2 426.477 -0.013 20 0 IBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000471180972 1070824155 /nfs/dbraw/zinc/82/41/55/1070824155.db2.gz BQBPJYXXIKABEF-UHFFFAOYSA-N 1 2 431.497 -0.598 20 0 IBADLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471182766 1070825005 /nfs/dbraw/zinc/82/50/05/1070825005.db2.gz NSXRSZKGVIPOAS-AWEZNQCLSA-N 1 2 427.523 -0.229 20 0 IBADLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471182768 1070824946 /nfs/dbraw/zinc/82/49/46/1070824946.db2.gz NSXRSZKGVIPOAS-CQSZACIVSA-N 1 2 427.523 -0.229 20 0 IBADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000471205770 1070830059 /nfs/dbraw/zinc/83/00/59/1070830059.db2.gz WYLNROCAYSTBEI-AWEZNQCLSA-N 1 2 433.538 -0.008 20 0 IBADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000471205770 1070830033 /nfs/dbraw/zinc/83/00/33/1070830033.db2.gz WYLNROCAYSTBEI-AWEZNQCLSA-N 1 2 433.538 -0.008 20 0 IBADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000471205771 1070829809 /nfs/dbraw/zinc/82/98/09/1070829809.db2.gz WYLNROCAYSTBEI-CQSZACIVSA-N 1 2 433.538 -0.008 20 0 IBADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000471205771 1070829786 /nfs/dbraw/zinc/82/97/86/1070829786.db2.gz WYLNROCAYSTBEI-CQSZACIVSA-N 1 2 433.538 -0.008 20 0 IBADLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000471239754 1070844058 /nfs/dbraw/zinc/84/40/58/1070844058.db2.gz YSUSSSIONSELTI-INIZCTEOSA-N 1 2 430.575 -0.795 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)OCC(=O)N2C)cn1 ZINC000471619111 1070949611 /nfs/dbraw/zinc/94/96/11/1070949611.db2.gz DWOMBYLTYCGQFC-DLBZAZTESA-N 1 2 439.480 -0.656 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc(C(N)=O)cc4)CC3)OCC(=O)N2C)cn1 ZINC000471747354 1071002498 /nfs/dbraw/zinc/00/24/98/1071002498.db2.gz FSOOPHXVCDWYEJ-VQTJNVASSA-N 1 2 440.504 -0.238 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)OCC(=O)N2C)cn1 ZINC000471796529 1071006678 /nfs/dbraw/zinc/00/66/78/1071006678.db2.gz FPICGRSPKRCAPA-ZWKOTPCHSA-N 1 2 428.497 -0.953 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000471877069 1071017277 /nfs/dbraw/zinc/01/72/77/1071017277.db2.gz PBJNQINNVDWUSB-UHFFFAOYSA-N 1 2 444.579 -0.088 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000471892550 1071021634 /nfs/dbraw/zinc/02/16/34/1071021634.db2.gz JLPUSBKKMHLGLS-UHFFFAOYSA-N 1 2 438.550 -0.056 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000471893792 1071021744 /nfs/dbraw/zinc/02/17/44/1071021744.db2.gz VDGYKJDZGDFQAU-UHFFFAOYSA-N 1 2 432.568 -0.279 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000471894449 1071021805 /nfs/dbraw/zinc/02/18/05/1071021805.db2.gz YFRSWCPAUZEQIB-UHFFFAOYSA-N 1 2 444.579 -0.088 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000471895737 1071022365 /nfs/dbraw/zinc/02/23/65/1071022365.db2.gz MRPGAKWKLQGNSS-UHFFFAOYSA-N 1 2 432.568 -0.279 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472147921 1071066616 /nfs/dbraw/zinc/06/66/16/1071066616.db2.gz SNTWLJRBGBPWJH-VQTJNVASSA-N 1 2 434.541 -0.279 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472147921 1071066601 /nfs/dbraw/zinc/06/66/01/1071066601.db2.gz SNTWLJRBGBPWJH-VQTJNVASSA-N 1 2 434.541 -0.279 20 0 IBADLO O=C(Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1)NC1CCCCC1 ZINC000472149074 1071066720 /nfs/dbraw/zinc/06/67/20/1071066720.db2.gz BOOPLZLRVGUXDG-IBGZPJMESA-N 1 2 446.552 -0.005 20 0 IBADLO O=C(Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1)NC1CCCCC1 ZINC000472149075 1071066823 /nfs/dbraw/zinc/06/68/23/1071066823.db2.gz BOOPLZLRVGUXDG-LJQANCHMSA-N 1 2 446.552 -0.005 20 0 IBADLO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472158207 1071068823 /nfs/dbraw/zinc/06/88/23/1071068823.db2.gz PBPTYICKTTZLJK-CABCVRRESA-N 1 2 428.493 -0.270 20 0 IBADLO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472158220 1071069141 /nfs/dbraw/zinc/06/91/41/1071069141.db2.gz PBPTYICKTTZLJK-GJZGRUSLSA-N 1 2 428.493 -0.270 20 0 IBADLO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472158221 1071069177 /nfs/dbraw/zinc/06/91/77/1071069177.db2.gz PBPTYICKTTZLJK-HUUCEWRRSA-N 1 2 428.493 -0.270 20 0 IBADLO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472158223 1071069277 /nfs/dbraw/zinc/06/92/77/1071069277.db2.gz PBPTYICKTTZLJK-LSDHHAIUSA-N 1 2 428.493 -0.270 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)OCC(=O)N2C)cn1 ZINC000472165934 1071070241 /nfs/dbraw/zinc/07/02/41/1071070241.db2.gz SBTFOVASNRCDJN-VQTJNVASSA-N 1 2 432.525 -0.525 20 0 IBADLO Cn1cc([C@H]2[C@H](C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)OCC(=O)N2C)cn1 ZINC000472165934 1071070227 /nfs/dbraw/zinc/07/02/27/1071070227.db2.gz SBTFOVASNRCDJN-VQTJNVASSA-N 1 2 432.525 -0.525 20 0 IBADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000472181219 1071072717 /nfs/dbraw/zinc/07/27/17/1071072717.db2.gz ZIDUNSOUSLFVHD-JOCHJYFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000472181219 1071072697 /nfs/dbraw/zinc/07/26/97/1071072697.db2.gz ZIDUNSOUSLFVHD-JOCHJYFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000472181221 1071072803 /nfs/dbraw/zinc/07/28/03/1071072803.db2.gz ZIDUNSOUSLFVHD-QFIPXVFZSA-N 1 2 442.520 -0.117 20 0 IBADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000472181221 1071072786 /nfs/dbraw/zinc/07/27/86/1071072786.db2.gz ZIDUNSOUSLFVHD-QFIPXVFZSA-N 1 2 442.520 -0.117 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)[nH+]cn1 ZINC000472204900 1071079849 /nfs/dbraw/zinc/07/98/49/1071079849.db2.gz LMPYCNYHGDGTNW-MDASCCDHSA-N 1 2 428.497 -0.065 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)nc[nH+]1 ZINC000472204900 1071079834 /nfs/dbraw/zinc/07/98/34/1071079834.db2.gz LMPYCNYHGDGTNW-MDASCCDHSA-N 1 2 428.497 -0.065 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)[nH+]cn1 ZINC000472204920 1071080269 /nfs/dbraw/zinc/08/02/69/1071080269.db2.gz LMPYCNYHGDGTNW-ZOCIIQOWSA-N 1 2 428.497 -0.065 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)nc[nH+]1 ZINC000472204920 1071080257 /nfs/dbraw/zinc/08/02/57/1071080257.db2.gz LMPYCNYHGDGTNW-ZOCIIQOWSA-N 1 2 428.497 -0.065 20 0 IBADLO COc1ccc(CNC(=O)C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000472345055 1071253716 /nfs/dbraw/zinc/25/37/16/1071253716.db2.gz VFVGPGLOKIPMRM-UHFFFAOYSA-N 1 2 443.504 -0.114 20 0 IBADLO CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472483233 1071295743 /nfs/dbraw/zinc/29/57/43/1071295743.db2.gz ZJBISLUFWQGFLB-INIZCTEOSA-N 1 2 432.529 -0.051 20 0 IBADLO CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472483233 1071295733 /nfs/dbraw/zinc/29/57/33/1071295733.db2.gz ZJBISLUFWQGFLB-INIZCTEOSA-N 1 2 432.529 -0.051 20 0 IBADLO CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472483239 1071295578 /nfs/dbraw/zinc/29/55/78/1071295578.db2.gz ZJBISLUFWQGFLB-MRXNPFEDSA-N 1 2 432.529 -0.051 20 0 IBADLO CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472483239 1071295566 /nfs/dbraw/zinc/29/55/66/1071295566.db2.gz ZJBISLUFWQGFLB-MRXNPFEDSA-N 1 2 432.529 -0.051 20 0 IBADLO CC(C)OC(=O)CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472485668 1071296429 /nfs/dbraw/zinc/29/64/29/1071296429.db2.gz HDPXNTVDGAUJOJ-INIZCTEOSA-N 1 2 433.575 -0.074 20 0 IBADLO CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472485675 1071296304 /nfs/dbraw/zinc/29/63/04/1071296304.db2.gz HDPXNTVDGAUJOJ-MRXNPFEDSA-N 1 2 433.575 -0.074 20 0 IBADLO CCCN1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000472518529 1071301387 /nfs/dbraw/zinc/30/13/87/1071301387.db2.gz KVVGVYWUMCOIHP-UHFFFAOYSA-N 1 2 430.509 -0.121 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000472649052 1071325058 /nfs/dbraw/zinc/32/50/58/1071325058.db2.gz IWHDBKIFRKYJGS-UHFFFAOYSA-N 1 2 447.521 -0.421 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000472649052 1071325041 /nfs/dbraw/zinc/32/50/41/1071325041.db2.gz IWHDBKIFRKYJGS-UHFFFAOYSA-N 1 2 447.521 -0.421 20 0 IBADLO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000472654013 1071325997 /nfs/dbraw/zinc/32/59/97/1071325997.db2.gz XUXSWTKHJBKACP-FHWLQOOXSA-N 1 2 436.532 -0.371 20 0 IBADLO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000472654015 1071326024 /nfs/dbraw/zinc/32/60/24/1071326024.db2.gz XUXSWTKHJBKACP-QYZOEREBSA-N 1 2 436.532 -0.371 20 0 IBADLO CCn1nccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000472673803 1071329119 /nfs/dbraw/zinc/32/91/19/1071329119.db2.gz YZFBBQZPOYJHID-UHFFFAOYSA-N 1 2 428.540 -0.272 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000472778211 1071334903 /nfs/dbraw/zinc/33/49/03/1071334903.db2.gz YXJFRCBTWHQSRE-IBGZPJMESA-N 1 2 440.522 -0.270 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000472778211 1071334890 /nfs/dbraw/zinc/33/48/90/1071334890.db2.gz YXJFRCBTWHQSRE-IBGZPJMESA-N 1 2 440.522 -0.270 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000472778217 1071334697 /nfs/dbraw/zinc/33/46/97/1071334697.db2.gz YXJFRCBTWHQSRE-LJQANCHMSA-N 1 2 440.522 -0.270 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000472778217 1071334683 /nfs/dbraw/zinc/33/46/83/1071334683.db2.gz YXJFRCBTWHQSRE-LJQANCHMSA-N 1 2 440.522 -0.270 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nnnn1CC1CC1 ZINC000472848543 1071337231 /nfs/dbraw/zinc/33/72/31/1071337231.db2.gz BWHYOHFXJTYPFI-UHFFFAOYSA-N 1 2 449.541 -0.571 20 0 IBADLO O=C(NCc1nnnn1CC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000472866091 1071339487 /nfs/dbraw/zinc/33/94/87/1071339487.db2.gz QVEICYBRAZQLRL-UHFFFAOYSA-N 1 2 428.501 -0.259 20 0 IBADLO O=C(NCc1nnnn1CC1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000472866091 1071339478 /nfs/dbraw/zinc/33/94/78/1071339478.db2.gz QVEICYBRAZQLRL-UHFFFAOYSA-N 1 2 428.501 -0.259 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472871132 1071340447 /nfs/dbraw/zinc/34/04/47/1071340447.db2.gz RATIMYAEELJUPW-CYBMUJFWSA-N 1 2 433.914 -0.167 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472871133 1071340410 /nfs/dbraw/zinc/34/04/10/1071340410.db2.gz RATIMYAEELJUPW-ZDUSSCGKSA-N 1 2 433.914 -0.167 20 0 IBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CCO2 ZINC000472941719 1071347352 /nfs/dbraw/zinc/34/73/52/1071347352.db2.gz UXAPKIGYOQPUDD-BTYIYWSLSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CCO2 ZINC000472941720 1071347325 /nfs/dbraw/zinc/34/73/25/1071347325.db2.gz UXAPKIGYOQPUDD-QVKFZJNVSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CCO2 ZINC000472941921 1071347407 /nfs/dbraw/zinc/34/74/07/1071347407.db2.gz UXAPKIGYOQPUDD-VFNWGFHPSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CCO2 ZINC000472941922 1071347164 /nfs/dbraw/zinc/34/71/64/1071347164.db2.gz UXAPKIGYOQPUDD-YCRPNKLZSA-N 1 2 431.493 -0.186 20 0 IBADLO NC(=O)C[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472981898 1071350543 /nfs/dbraw/zinc/35/05/43/1071350543.db2.gz WVAOQCDOZDLQQC-INIZCTEOSA-N 1 2 438.554 -0.170 20 0 IBADLO NC(=O)C[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472981937 1071350414 /nfs/dbraw/zinc/35/04/14/1071350414.db2.gz WVAOQCDOZDLQQC-MRXNPFEDSA-N 1 2 438.554 -0.170 20 0 IBADLO CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1c1ncc[nH]1 ZINC000473096999 1071419065 /nfs/dbraw/zinc/41/90/65/1071419065.db2.gz HESRZSDZLWEHSQ-KRWDZBQOSA-N 1 2 430.513 -0.218 20 0 IBADLO CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1c1ncc[nH]1 ZINC000473097001 1071419155 /nfs/dbraw/zinc/41/91/55/1071419155.db2.gz HESRZSDZLWEHSQ-QGZVFWFLSA-N 1 2 430.513 -0.218 20 0 IBADLO CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1c1ncc[nH]1 ZINC000473101756 1071421010 /nfs/dbraw/zinc/42/10/10/1071421010.db2.gz OJGAYCHSOYGNOA-INIZCTEOSA-N 1 2 430.513 -0.218 20 0 IBADLO CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1c1ncc[nH]1 ZINC000473101758 1071420998 /nfs/dbraw/zinc/42/09/98/1071420998.db2.gz OJGAYCHSOYGNOA-MRXNPFEDSA-N 1 2 430.513 -0.218 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000473167999 1071439297 /nfs/dbraw/zinc/43/92/97/1071439297.db2.gz LTPOOZYJYXGZKF-FSDCSDTHSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000473167999 1071439289 /nfs/dbraw/zinc/43/92/89/1071439289.db2.gz LTPOOZYJYXGZKF-FSDCSDTHSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC000473168006 1071439172 /nfs/dbraw/zinc/43/91/72/1071439172.db2.gz LTPOOZYJYXGZKF-JHNDHUHGSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC000473168006 1071439150 /nfs/dbraw/zinc/43/91/50/1071439150.db2.gz LTPOOZYJYXGZKF-JHNDHUHGSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000473168007 1071439358 /nfs/dbraw/zinc/43/93/58/1071439358.db2.gz LTPOOZYJYXGZKF-OTRWWLKZSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000473168007 1071439354 /nfs/dbraw/zinc/43/93/54/1071439354.db2.gz LTPOOZYJYXGZKF-OTRWWLKZSA-N 1 2 427.523 -0.150 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000473193838 1071446616 /nfs/dbraw/zinc/44/66/16/1071446616.db2.gz HONHTAPDFYZLBN-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000473193858 1071446526 /nfs/dbraw/zinc/44/65/26/1071446526.db2.gz HONHTAPDFYZLBN-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000473194195 1071446604 /nfs/dbraw/zinc/44/66/04/1071446604.db2.gz QCVTWMYSMXCWFR-AWEZNQCLSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000473194196 1071446641 /nfs/dbraw/zinc/44/66/41/1071446641.db2.gz QCVTWMYSMXCWFR-CQSZACIVSA-N 1 2 448.476 -0.376 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000473195291 1071447252 /nfs/dbraw/zinc/44/72/52/1071447252.db2.gz LCIMKAUWFRCSHD-CYBMUJFWSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000473195292 1071447297 /nfs/dbraw/zinc/44/72/97/1071447297.db2.gz LCIMKAUWFRCSHD-ZDUSSCGKSA-N 1 2 440.522 -0.015 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000473196544 1071447303 /nfs/dbraw/zinc/44/73/03/1071447303.db2.gz YXCRTFGOCAYDMO-AWEZNQCLSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000473196547 1071447331 /nfs/dbraw/zinc/44/73/31/1071447331.db2.gz YXCRTFGOCAYDMO-CQSZACIVSA-N 1 2 432.481 -0.948 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000473197428 1071448101 /nfs/dbraw/zinc/44/81/01/1071448101.db2.gz PKCQUCQUCXXGEP-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000473197429 1071447960 /nfs/dbraw/zinc/44/79/60/1071447960.db2.gz PKCQUCQUCXXGEP-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000473198080 1071448644 /nfs/dbraw/zinc/44/86/44/1071448644.db2.gz QNCOGEHHCQQLKH-LLVKDONJSA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000473198083 1071448602 /nfs/dbraw/zinc/44/86/02/1071448602.db2.gz QNCOGEHHCQQLKH-NSHDSACASA-N 1 2 430.458 -0.493 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC000473198824 1071449551 /nfs/dbraw/zinc/44/95/51/1071449551.db2.gz QQJFHIWQTFJTSI-CYBMUJFWSA-N 1 2 436.465 -0.406 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC000473198829 1071449980 /nfs/dbraw/zinc/44/99/80/1071449980.db2.gz QQJFHIWQTFJTSI-ZDUSSCGKSA-N 1 2 436.465 -0.406 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000473199073 1071449587 /nfs/dbraw/zinc/44/95/87/1071449587.db2.gz GPEIRZJXEKDEBR-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000473199102 1071449384 /nfs/dbraw/zinc/44/93/84/1071449384.db2.gz GPEIRZJXEKDEBR-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)ccc1C ZINC000473200228 1071450856 /nfs/dbraw/zinc/45/08/56/1071450856.db2.gz JXETYWCSJBPPDG-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)ccc1C ZINC000473200229 1071450847 /nfs/dbraw/zinc/45/08/47/1071450847.db2.gz JXETYWCSJBPPDG-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000473201034 1071451432 /nfs/dbraw/zinc/45/14/32/1071451432.db2.gz ZFKHEWRPZWCPIV-AWEZNQCLSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000473201035 1071451616 /nfs/dbraw/zinc/45/16/16/1071451616.db2.gz ZFKHEWRPZWCPIV-CQSZACIVSA-N 1 2 440.522 -0.029 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000473202074 1071451494 /nfs/dbraw/zinc/45/14/94/1071451494.db2.gz VUAJQTZAUXTHKC-CYBMUJFWSA-N 1 2 426.495 -0.323 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000473202075 1071451509 /nfs/dbraw/zinc/45/15/09/1071451509.db2.gz VUAJQTZAUXTHKC-ZDUSSCGKSA-N 1 2 426.495 -0.323 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000473203882 1071451658 /nfs/dbraw/zinc/45/16/58/1071451658.db2.gz RZEXTLGJPLOFIN-AWEZNQCLSA-N 1 2 440.522 -0.230 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000473203883 1071451582 /nfs/dbraw/zinc/45/15/82/1071451582.db2.gz RZEXTLGJPLOFIN-CQSZACIVSA-N 1 2 440.522 -0.230 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c2ccccc2O1 ZINC000473204805 1071452324 /nfs/dbraw/zinc/45/23/24/1071452324.db2.gz UDQDHTKNYQTZCK-PBHICJAKSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c2ccccc2O1 ZINC000473204806 1071452263 /nfs/dbraw/zinc/45/22/63/1071452263.db2.gz UDQDHTKNYQTZCK-RHSMWYFYSA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c2ccccc2O1 ZINC000473204807 1071452233 /nfs/dbraw/zinc/45/22/33/1071452233.db2.gz UDQDHTKNYQTZCK-WMLDXEAASA-N 1 2 432.477 -0.378 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c2ccccc2O1 ZINC000473204808 1071452297 /nfs/dbraw/zinc/45/22/97/1071452297.db2.gz UDQDHTKNYQTZCK-YOEHRIQHSA-N 1 2 432.477 -0.378 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1S(N)(=O)=O ZINC000473204898 1071452249 /nfs/dbraw/zinc/45/22/49/1071452249.db2.gz VXFJOITWTAZTGO-CYBMUJFWSA-N 1 2 440.522 -0.069 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1S(N)(=O)=O ZINC000473204899 1071452397 /nfs/dbraw/zinc/45/23/97/1071452397.db2.gz VXFJOITWTAZTGO-ZDUSSCGKSA-N 1 2 440.522 -0.069 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000473206679 1071455424 /nfs/dbraw/zinc/45/54/24/1071455424.db2.gz YXYZGPPDAKANMX-CYBMUJFWSA-N 1 2 431.453 -0.295 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000473206683 1071455409 /nfs/dbraw/zinc/45/54/09/1071455409.db2.gz YXYZGPPDAKANMX-ZDUSSCGKSA-N 1 2 431.453 -0.295 20 0 IBADLO COc1cccc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000473256593 1071527909 /nfs/dbraw/zinc/52/79/09/1071527909.db2.gz RNMTWJCAABKNGO-GOSISDBHSA-N 1 2 426.539 -0.765 20 0 IBADLO COc1cccc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000473256597 1071528100 /nfs/dbraw/zinc/52/81/00/1071528100.db2.gz RNMTWJCAABKNGO-SFHVURJKSA-N 1 2 426.539 -0.765 20 0 IBADLO CC(C)n1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473279233 1071530179 /nfs/dbraw/zinc/53/01/79/1071530179.db2.gz VXVXWKOZGAKQPT-UHFFFAOYSA-N 1 2 427.531 -0.961 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000473392509 1071541112 /nfs/dbraw/zinc/54/11/12/1071541112.db2.gz GBAHZBBSSPAZNG-UHFFFAOYSA-N 1 2 438.444 -0.369 20 0 IBADLO CCN(C)C(=O)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000473457674 1071546858 /nfs/dbraw/zinc/54/68/58/1071546858.db2.gz MYPIOCGBPCYGGU-HNNXBMFYSA-N 1 2 426.543 -0.301 20 0 IBADLO CCN(C)C(=O)[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000473457675 1071547027 /nfs/dbraw/zinc/54/70/27/1071547027.db2.gz MYPIOCGBPCYGGU-OAHLLOKOSA-N 1 2 426.543 -0.301 20 0 IBADLO CS(=O)(=O)CC1(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000473471384 1071560814 /nfs/dbraw/zinc/56/08/14/1071560814.db2.gz HWRCPRLKPKJUSM-UHFFFAOYSA-N 1 2 444.579 -0.136 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000473695621 1072156015 /nfs/dbraw/zinc/15/60/15/1072156015.db2.gz ZVYIDOLWYIYQPF-UHFFFAOYSA-N 1 2 430.494 -0.029 20 0 IBADLO COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473747457 1072159186 /nfs/dbraw/zinc/15/91/86/1072159186.db2.gz WDEMYKINNWSYDI-UHFFFAOYSA-N 1 2 439.538 -0.939 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000473873144 1072225136 /nfs/dbraw/zinc/22/51/36/1072225136.db2.gz FTBGFTSJRXMZMZ-UHFFFAOYSA-N 1 2 432.573 -0.206 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000473943510 1072281057 /nfs/dbraw/zinc/28/10/57/1072281057.db2.gz HLRIOZSTHOACEY-UHFFFAOYSA-N 1 2 432.506 -0.147 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000474002084 1072310201 /nfs/dbraw/zinc/31/02/01/1072310201.db2.gz UOLASLJABONTHE-UHFFFAOYSA-N 1 2 433.513 -0.486 20 0 IBADLO CN(C)C(=O)Cn1cnc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000474004380 1072314777 /nfs/dbraw/zinc/31/47/77/1072314777.db2.gz FVJBBQCDBIINQU-UHFFFAOYSA-N 1 2 429.485 -0.378 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000474004423 1072314630 /nfs/dbraw/zinc/31/46/30/1072314630.db2.gz GHXVOBLEEUKAAL-UHFFFAOYSA-N 1 2 429.529 -0.051 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000474007227 1072317455 /nfs/dbraw/zinc/31/74/55/1072317455.db2.gz QKEXUYBQYISUPL-UHFFFAOYSA-N 1 2 431.501 -0.621 20 0 IBADLO O=C(Cn1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1)N1CCOCC1 ZINC000474021333 1072332932 /nfs/dbraw/zinc/33/29/32/1072332932.db2.gz MIHGWDMNMPYNQS-UHFFFAOYSA-N 1 2 443.512 -0.524 20 0 IBADLO CCn1cnc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000474030532 1072407952 /nfs/dbraw/zinc/40/79/52/1072407952.db2.gz KJAQUMBXPGAKBF-UHFFFAOYSA-N 1 2 428.540 -0.272 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000474035155 1072435648 /nfs/dbraw/zinc/43/56/48/1072435648.db2.gz NZZZKRGSNGXOKU-GOSISDBHSA-N 1 2 426.543 -0.025 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000474035156 1072435704 /nfs/dbraw/zinc/43/57/04/1072435704.db2.gz NZZZKRGSNGXOKU-SFHVURJKSA-N 1 2 426.543 -0.025 20 0 IBADLO CS(=O)(=O)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000474047199 1072499274 /nfs/dbraw/zinc/49/92/74/1072499274.db2.gz WLHMQVDOQSDOKF-UHFFFAOYSA-N 1 2 445.567 -0.590 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000474099827 1072519124 /nfs/dbraw/zinc/51/91/24/1072519124.db2.gz SCTZLKXWTBUHOK-KRWDZBQOSA-N 1 2 438.550 -0.010 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000474099831 1072519042 /nfs/dbraw/zinc/51/90/42/1072519042.db2.gz SCTZLKXWTBUHOK-QGZVFWFLSA-N 1 2 438.550 -0.010 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000474100317 1072519006 /nfs/dbraw/zinc/51/90/06/1072519006.db2.gz UJYIYNLNFLOUCU-UHFFFAOYSA-N 1 2 449.537 -0.897 20 0 IBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474237098 1072531448 /nfs/dbraw/zinc/53/14/48/1072531448.db2.gz IHHJEYQTADRXEA-HNNXBMFYSA-N 1 2 447.583 -0.344 20 0 IBADLO C[C@H](CCS(C)(=O)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474237100 1072531788 /nfs/dbraw/zinc/53/17/88/1072531788.db2.gz IHHJEYQTADRXEA-OAHLLOKOSA-N 1 2 447.583 -0.344 20 0 IBADLO COCc1noc(CN2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000474262053 1072531574 /nfs/dbraw/zinc/53/15/74/1072531574.db2.gz AGVPNVYCMWDSJP-INIZCTEOSA-N 1 2 436.513 -0.959 20 0 IBADLO COCc1noc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000474262054 1072532053 /nfs/dbraw/zinc/53/20/53/1072532053.db2.gz AGVPNVYCMWDSJP-MRXNPFEDSA-N 1 2 436.513 -0.959 20 0 IBADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000474271678 1072532156 /nfs/dbraw/zinc/53/21/56/1072532156.db2.gz FFFHNQHTQGXRTF-UHFFFAOYSA-N 1 2 426.539 -0.091 20 0 IBADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000474271678 1072532146 /nfs/dbraw/zinc/53/21/46/1072532146.db2.gz FFFHNQHTQGXRTF-UHFFFAOYSA-N 1 2 426.539 -0.091 20 0 IBADLO CSc1nc(=O)[nH]c(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000474477412 1072536425 /nfs/dbraw/zinc/53/64/25/1072536425.db2.gz MULHSKIRDUTHBA-UHFFFAOYSA-N 1 2 430.556 -0.537 20 0 IBADLO COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC)c(O)c1 ZINC000474594486 1072540845 /nfs/dbraw/zinc/54/08/45/1072540845.db2.gz NFXVXFSECJWHJS-BEFAXECRSA-N 1 2 435.477 -0.088 20 0 IBADLO COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC)c(O)c1 ZINC000474594488 1072541044 /nfs/dbraw/zinc/54/10/44/1072541044.db2.gz NFXVXFSECJWHJS-DNVCBOLYSA-N 1 2 435.477 -0.088 20 0 IBADLO COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC)c(O)c1 ZINC000474594490 1072540901 /nfs/dbraw/zinc/54/09/01/1072540901.db2.gz NFXVXFSECJWHJS-HNAYVOBHSA-N 1 2 435.477 -0.088 20 0 IBADLO COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC)c(O)c1 ZINC000474594492 1072540938 /nfs/dbraw/zinc/54/09/38/1072540938.db2.gz NFXVXFSECJWHJS-KXBFYZLASA-N 1 2 435.477 -0.088 20 0 IBADLO O=C(CN1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1)N1CCOCC1 ZINC000474598475 1072541336 /nfs/dbraw/zinc/54/13/36/1072541336.db2.gz BNDRCUAOTLQLFL-UHFFFAOYSA-N 1 2 435.529 -0.776 20 0 IBADLO O=C(CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)N1CCOCC1 ZINC000474621944 1074351275 /nfs/dbraw/zinc/35/12/75/1074351275.db2.gz LIMNXEGQAVEAFP-UHFFFAOYSA-N 1 2 435.529 -0.776 20 0 IBADLO COC(=O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000474702180 1072544646 /nfs/dbraw/zinc/54/46/46/1072544646.db2.gz QEUUCICDPMGZRK-AWEZNQCLSA-N 1 2 430.469 -0.524 20 0 IBADLO COC(=O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000474702180 1072544641 /nfs/dbraw/zinc/54/46/41/1072544641.db2.gz QEUUCICDPMGZRK-AWEZNQCLSA-N 1 2 430.469 -0.524 20 0 IBADLO COC(=O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000474702181 1072544682 /nfs/dbraw/zinc/54/46/82/1072544682.db2.gz QEUUCICDPMGZRK-CQSZACIVSA-N 1 2 430.469 -0.524 20 0 IBADLO COC(=O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000474702181 1072544675 /nfs/dbraw/zinc/54/46/75/1072544675.db2.gz QEUUCICDPMGZRK-CQSZACIVSA-N 1 2 430.469 -0.524 20 0 IBADLO COCCOC1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000474786984 1072547242 /nfs/dbraw/zinc/54/72/42/1072547242.db2.gz DGBAVXRXOMBPNE-UHFFFAOYSA-N 1 2 432.587 -0.155 20 0 IBADLO CCC(=O)N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000474838185 1072548907 /nfs/dbraw/zinc/54/89/07/1072548907.db2.gz SCWXRBRYWNRMQK-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CCC(=O)N1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000474838186 1072548864 /nfs/dbraw/zinc/54/88/64/1072548864.db2.gz SCWXRBRYWNRMQK-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000474847373 1072549431 /nfs/dbraw/zinc/54/94/31/1072549431.db2.gz ZZJOBSBUYXFSNI-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000474847373 1072549419 /nfs/dbraw/zinc/54/94/19/1072549419.db2.gz ZZJOBSBUYXFSNI-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000474847374 1072549503 /nfs/dbraw/zinc/54/95/03/1072549503.db2.gz ZZJOBSBUYXFSNI-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000474847374 1072549489 /nfs/dbraw/zinc/54/94/89/1072549489.db2.gz ZZJOBSBUYXFSNI-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO CS(=O)(=O)C1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000474886683 1072550547 /nfs/dbraw/zinc/55/05/47/1072550547.db2.gz JRCKIIGBXDTCEY-UHFFFAOYSA-N 1 2 430.552 -0.383 20 0 IBADLO CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000475007601 1072553117 /nfs/dbraw/zinc/55/31/17/1072553117.db2.gz IVLJVKHEQKXTJA-KRWDZBQOSA-N 1 2 430.575 -0.936 20 0 IBADLO CC(=O)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000475007602 1072553408 /nfs/dbraw/zinc/55/34/08/1072553408.db2.gz IVLJVKHEQKXTJA-QGZVFWFLSA-N 1 2 430.575 -0.936 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000475111505 1072591087 /nfs/dbraw/zinc/59/10/87/1072591087.db2.gz QRQMSVOBTQPEKM-MOPGFXCFSA-N 1 2 440.566 -0.074 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000475111507 1072591007 /nfs/dbraw/zinc/59/10/07/1072591007.db2.gz QRQMSVOBTQPEKM-OALUTQOASA-N 1 2 440.566 -0.074 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000475111508 1072590927 /nfs/dbraw/zinc/59/09/27/1072590927.db2.gz QRQMSVOBTQPEKM-RBUKOAKNSA-N 1 2 440.566 -0.074 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000475111509 1072591055 /nfs/dbraw/zinc/59/10/55/1072591055.db2.gz QRQMSVOBTQPEKM-RTBURBONSA-N 1 2 440.566 -0.074 20 0 IBADLO NC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000475115770 1072591542 /nfs/dbraw/zinc/59/15/42/1072591542.db2.gz ZWIIAWGWQMOWEB-UHFFFAOYSA-N 1 2 436.494 -0.275 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@]1(CCO)CCOC1 ZINC000475136341 1072591494 /nfs/dbraw/zinc/59/14/94/1072591494.db2.gz PAHDMHRFKBALHV-IBGZPJMESA-N 1 2 441.554 -0.378 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@]1(CCO)CCOC1 ZINC000475136342 1072591485 /nfs/dbraw/zinc/59/14/85/1072591485.db2.gz PAHDMHRFKBALHV-LJQANCHMSA-N 1 2 441.554 -0.378 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1)N1CCOCC1 ZINC000475154315 1072593204 /nfs/dbraw/zinc/59/32/04/1072593204.db2.gz KCPHMXIOAZUHDD-UHFFFAOYSA-N 1 2 446.533 -0.084 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1)N1CCOCC1 ZINC000475154315 1072593194 /nfs/dbraw/zinc/59/31/94/1072593194.db2.gz KCPHMXIOAZUHDD-UHFFFAOYSA-N 1 2 446.533 -0.084 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000475156788 1072593768 /nfs/dbraw/zinc/59/37/68/1072593768.db2.gz NMLFTIQNAZPQMS-UHFFFAOYSA-N 1 2 434.522 -0.180 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000475156788 1072593763 /nfs/dbraw/zinc/59/37/63/1072593763.db2.gz NMLFTIQNAZPQMS-UHFFFAOYSA-N 1 2 434.522 -0.180 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000475172086 1072594670 /nfs/dbraw/zinc/59/46/70/1072594670.db2.gz GCHQFKZTGOVEKC-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)[C@@H]1c1c[nH+]cn1C ZINC000475174741 1072594649 /nfs/dbraw/zinc/59/46/49/1072594649.db2.gz OOEMAHNJVNSPFZ-CRAIPNDOSA-N 1 2 425.555 -0.044 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000475178103 1072595750 /nfs/dbraw/zinc/59/57/50/1072595750.db2.gz QUHJONJRZBRNQV-KRWDZBQOSA-N 1 2 436.513 -0.847 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000475178108 1072595781 /nfs/dbraw/zinc/59/57/81/1072595781.db2.gz QUHJONJRZBRNQV-QGZVFWFLSA-N 1 2 436.513 -0.847 20 0 IBADLO O=C(Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000475179564 1072595737 /nfs/dbraw/zinc/59/57/37/1072595737.db2.gz CKHAQLSSWSPJKV-UHFFFAOYSA-N 1 2 440.522 -0.781 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475184129 1072595337 /nfs/dbraw/zinc/59/53/37/1072595337.db2.gz QMAMLBPLCLONNF-UHFFFAOYSA-N 1 2 434.497 -0.470 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475184129 1072595332 /nfs/dbraw/zinc/59/53/32/1072595332.db2.gz QMAMLBPLCLONNF-UHFFFAOYSA-N 1 2 434.497 -0.470 20 0 IBADLO COc1ncc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1C(N)=O ZINC000475196022 1072596896 /nfs/dbraw/zinc/59/68/96/1072596896.db2.gz PEXJIVXYCOSNTH-UHFFFAOYSA-N 1 2 432.481 -0.716 20 0 IBADLO COc1ncc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1C(N)=O ZINC000475196022 1072596891 /nfs/dbraw/zinc/59/68/91/1072596891.db2.gz PEXJIVXYCOSNTH-UHFFFAOYSA-N 1 2 432.481 -0.716 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1)N1CCOCC1 ZINC000475199030 1072597452 /nfs/dbraw/zinc/59/74/52/1072597452.db2.gz ZJRZFMLDYCBVEL-UHFFFAOYSA-N 1 2 427.465 -0.576 20 0 IBADLO COc1ncc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1C(N)=O ZINC000475204681 1072596816 /nfs/dbraw/zinc/59/68/16/1072596816.db2.gz SUKBXXHCXXWIOL-UHFFFAOYSA-N 1 2 439.436 -0.847 20 0 IBADLO CC(C)Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000475222921 1072597924 /nfs/dbraw/zinc/59/79/24/1072597924.db2.gz DRABMXSOJKEEJP-UHFFFAOYSA-N 1 2 441.558 -0.886 20 0 IBADLO COc1ncc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C(N)=O ZINC000475257293 1072599802 /nfs/dbraw/zinc/59/98/02/1072599802.db2.gz YFCPQTVCVANRDW-AWEZNQCLSA-N 1 2 441.492 -0.151 20 0 IBADLO COc1ncc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C(N)=O ZINC000475257296 1072599874 /nfs/dbraw/zinc/59/98/74/1072599874.db2.gz YFCPQTVCVANRDW-CQSZACIVSA-N 1 2 441.492 -0.151 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475260134 1072602341 /nfs/dbraw/zinc/60/23/41/1072602341.db2.gz ADOXSFIMIRBZAN-UHFFFAOYSA-N 1 2 430.469 -0.657 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475260134 1072602333 /nfs/dbraw/zinc/60/23/33/1072602333.db2.gz ADOXSFIMIRBZAN-UHFFFAOYSA-N 1 2 430.469 -0.657 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000475299542 1072603988 /nfs/dbraw/zinc/60/39/88/1072603988.db2.gz FSNXVTGKOPDIBR-AWEZNQCLSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000475299542 1072603984 /nfs/dbraw/zinc/60/39/84/1072603984.db2.gz FSNXVTGKOPDIBR-AWEZNQCLSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000475299563 1072604188 /nfs/dbraw/zinc/60/41/88/1072604188.db2.gz FSNXVTGKOPDIBR-CQSZACIVSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000475299563 1072604183 /nfs/dbraw/zinc/60/41/83/1072604183.db2.gz FSNXVTGKOPDIBR-CQSZACIVSA-N 1 2 444.496 -0.221 20 0 IBADLO COCCCS(=O)(=O)NCCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475346853 1072605794 /nfs/dbraw/zinc/60/57/94/1072605794.db2.gz DORSMJBODZSGFT-UHFFFAOYSA-N 1 2 428.559 -0.609 20 0 IBADLO CS(=O)(=O)N1CCCN(c2cc(N3CCCN(S(C)(=O)=O)CC3)[nH+]cn2)CC1 ZINC000475360913 1072605741 /nfs/dbraw/zinc/60/57/41/1072605741.db2.gz KOYGZVGWOJOONM-UHFFFAOYSA-N 1 2 432.572 -0.580 20 0 IBADLO COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000475413659 1072608289 /nfs/dbraw/zinc/60/82/89/1072608289.db2.gz DWTFSAIJFSZRGC-UHFFFAOYSA-N 1 2 446.508 -0.885 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c2ccccc2O1 ZINC000475466400 1072616025 /nfs/dbraw/zinc/61/60/25/1072616025.db2.gz YVACTZLNBBGGQL-GOSISDBHSA-N 1 2 442.476 -0.306 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c2ccccc2O1 ZINC000475466401 1072616010 /nfs/dbraw/zinc/61/60/10/1072616010.db2.gz YVACTZLNBBGGQL-SFHVURJKSA-N 1 2 442.476 -0.306 20 0 IBADLO COc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000475519268 1072623946 /nfs/dbraw/zinc/62/39/46/1072623946.db2.gz GMEJQYUGJSMODN-MSOLQXFVSA-N 1 2 435.521 -0.151 20 0 IBADLO COc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000475519269 1072623760 /nfs/dbraw/zinc/62/37/60/1072623760.db2.gz GMEJQYUGJSMODN-QZTJIDSGSA-N 1 2 435.521 -0.151 20 0 IBADLO COc1ccc(C[C@H](CO)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000475519270 1072623924 /nfs/dbraw/zinc/62/39/24/1072623924.db2.gz GMEJQYUGJSMODN-ROUUACIJSA-N 1 2 435.521 -0.151 20 0 IBADLO COc1ccc(C[C@H](CO)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000475519271 1072624544 /nfs/dbraw/zinc/62/45/44/1072624544.db2.gz GMEJQYUGJSMODN-ZWKOTPCHSA-N 1 2 435.521 -0.151 20 0 IBADLO COc1cccc(OC)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000475527417 1072625195 /nfs/dbraw/zinc/62/51/95/1072625195.db2.gz HPEAYAPZHMGSCY-UHFFFAOYSA-N 1 2 448.567 -0.498 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000475527427 1072624978 /nfs/dbraw/zinc/62/49/78/1072624978.db2.gz NLVZSPWVZGOFGQ-DNVCBOLYSA-N 1 2 443.512 -0.533 20 0 IBADLO O=S(=O)(CCNS(=O)(=O)c1cnc2n1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000475533655 1072625073 /nfs/dbraw/zinc/62/50/73/1072625073.db2.gz RYHKECMSYBTESS-UHFFFAOYSA-N 1 2 440.551 -0.345 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 ZINC000475543490 1072625767 /nfs/dbraw/zinc/62/57/67/1072625767.db2.gz QKJWZPFWHVZZJS-UHFFFAOYSA-N 1 2 444.579 -0.040 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475566550 1072627519 /nfs/dbraw/zinc/62/75/19/1072627519.db2.gz SXJBFRQZJKGYQG-UHFFFAOYSA-N 1 2 447.496 -0.960 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475586372 1072629272 /nfs/dbraw/zinc/62/92/72/1072629272.db2.gz DFYNSMJQAZOUKK-IBGZPJMESA-N 1 2 434.497 -0.231 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475586373 1072629080 /nfs/dbraw/zinc/62/90/80/1072629080.db2.gz DFYNSMJQAZOUKK-LJQANCHMSA-N 1 2 434.497 -0.231 20 0 IBADLO O=C(Cn1cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1)N1CCOCC1 ZINC000475590171 1072631281 /nfs/dbraw/zinc/63/12/81/1072631281.db2.gz VGSXPATUZXQCSH-UHFFFAOYSA-N 1 2 432.485 -0.085 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)[C@@H]1c1c[nH+]cn1C ZINC000475592138 1072631739 /nfs/dbraw/zinc/63/17/39/1072631739.db2.gz SBARKCXIJGOXAP-SPYBWZPUSA-N 1 2 432.525 -0.037 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)[C@@H]1c1c[nH+]cn1C ZINC000475592139 1072631905 /nfs/dbraw/zinc/63/19/05/1072631905.db2.gz SBARKCXIJGOXAP-ZRGWGRIASA-N 1 2 432.525 -0.037 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000475621489 1072672736 /nfs/dbraw/zinc/67/27/36/1072672736.db2.gz FENOUIKODNBUJX-KRWDZBQOSA-N 1 2 442.538 -0.042 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000475621490 1072672753 /nfs/dbraw/zinc/67/27/53/1072672753.db2.gz FENOUIKODNBUJX-QGZVFWFLSA-N 1 2 442.538 -0.042 20 0 IBADLO COCCC(=O)N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000475651563 1072771914 /nfs/dbraw/zinc/77/19/14/1072771914.db2.gz QBTQKRHJXCGHCD-UHFFFAOYSA-N 1 2 430.513 -0.807 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cn1)N1CCOCC1 ZINC000475673486 1072833520 /nfs/dbraw/zinc/83/35/20/1072833520.db2.gz NYVGJDAYKRMKNT-KRWDZBQOSA-N 1 2 428.449 -0.245 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000475677408 1072841325 /nfs/dbraw/zinc/84/13/25/1072841325.db2.gz SUDMKZKDHIWEER-DOTOQJQBSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000475677410 1072841353 /nfs/dbraw/zinc/84/13/53/1072841353.db2.gz SUDMKZKDHIWEER-NVXWUHKLSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000475677411 1072841309 /nfs/dbraw/zinc/84/13/09/1072841309.db2.gz SUDMKZKDHIWEER-RDJZCZTQSA-N 1 2 429.481 -0.013 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000475677412 1072841376 /nfs/dbraw/zinc/84/13/76/1072841376.db2.gz SUDMKZKDHIWEER-WBVHZDCISA-N 1 2 429.481 -0.013 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475697134 1072860999 /nfs/dbraw/zinc/86/09/99/1072860999.db2.gz VZRVOEUEBCSMCT-UHFFFAOYSA-N 1 2 435.529 -0.776 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475706334 1072863386 /nfs/dbraw/zinc/86/33/86/1072863386.db2.gz OARQUMWZUBWLNK-UHFFFAOYSA-N 1 2 432.572 -0.285 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000475710235 1072864143 /nfs/dbraw/zinc/86/41/43/1072864143.db2.gz PFNDQALULIPPEX-HOTGVXAUSA-N 1 2 436.513 -0.752 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000475710236 1072863970 /nfs/dbraw/zinc/86/39/70/1072863970.db2.gz PFNDQALULIPPEX-HZPDHXFCSA-N 1 2 436.513 -0.752 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000475710237 1072864164 /nfs/dbraw/zinc/86/41/64/1072864164.db2.gz PFNDQALULIPPEX-IYBDPMFKSA-N 1 2 436.513 -0.752 20 0 IBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475714102 1072864676 /nfs/dbraw/zinc/86/46/76/1072864676.db2.gz LSFUMTPYWXBWOT-KRWDZBQOSA-N 1 2 444.558 -0.175 20 0 IBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475714103 1072864807 /nfs/dbraw/zinc/86/48/07/1072864807.db2.gz LSFUMTPYWXBWOT-QGZVFWFLSA-N 1 2 444.558 -0.175 20 0 IBADLO NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000475718469 1072866027 /nfs/dbraw/zinc/86/60/27/1072866027.db2.gz ZAZZAASCXWSPSX-UHFFFAOYSA-N 1 2 429.481 -0.248 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475720104 1072865819 /nfs/dbraw/zinc/86/58/19/1072865819.db2.gz WQVBFSSRZSCITJ-UHFFFAOYSA-N 1 2 436.513 -0.750 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000475773700 1072869709 /nfs/dbraw/zinc/86/97/09/1072869709.db2.gz LJRCRCXEVSNZRO-IBGZPJMESA-N 1 2 434.497 -0.231 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000475773704 1072870000 /nfs/dbraw/zinc/87/00/00/1072870000.db2.gz LJRCRCXEVSNZRO-LJQANCHMSA-N 1 2 434.497 -0.231 20 0 IBADLO C[NH+]1CCN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(S(C)(=O)=O)nc3)cn2)CC1 ZINC000475810744 1072871427 /nfs/dbraw/zinc/87/14/27/1072871427.db2.gz JUTKFGSYUKZRSI-UHFFFAOYSA-N 1 2 442.523 -0.744 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000475819944 1072872220 /nfs/dbraw/zinc/87/22/20/1072872220.db2.gz NPIYHEPBNUFJAN-UHFFFAOYSA-N 1 2 443.512 -0.048 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000475819944 1072872207 /nfs/dbraw/zinc/87/22/07/1072872207.db2.gz NPIYHEPBNUFJAN-UHFFFAOYSA-N 1 2 443.512 -0.048 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)[C@@H]1c1c[nH+]cn1C ZINC000475925070 1072899012 /nfs/dbraw/zinc/89/90/12/1072899012.db2.gz FHGOAOLJDZPQPD-OXQOHEQNSA-N 1 2 434.541 -0.326 20 0 IBADLO CCOC(=O)CSc1cncc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000475985349 1072956072 /nfs/dbraw/zinc/95/60/72/1072956072.db2.gz GRPXYLFJUJQBBJ-UHFFFAOYSA-N 1 2 444.583 -0.254 20 0 IBADLO NC(=O)C1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000476024812 1072979662 /nfs/dbraw/zinc/97/96/62/1072979662.db2.gz KHSMVPLHZTUPET-UHFFFAOYSA-N 1 2 438.554 -0.123 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000476029508 1072986802 /nfs/dbraw/zinc/98/68/02/1072986802.db2.gz FUMIGIHZYOUKPE-NRFANRHFSA-N 1 2 449.552 -0.241 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000476029508 1072986796 /nfs/dbraw/zinc/98/67/96/1072986796.db2.gz FUMIGIHZYOUKPE-NRFANRHFSA-N 1 2 449.552 -0.241 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000476029509 1072986894 /nfs/dbraw/zinc/98/68/94/1072986894.db2.gz FUMIGIHZYOUKPE-OAQYLSRUSA-N 1 2 449.552 -0.241 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000476029509 1072986886 /nfs/dbraw/zinc/98/68/86/1072986886.db2.gz FUMIGIHZYOUKPE-OAQYLSRUSA-N 1 2 449.552 -0.241 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000476046922 1072988402 /nfs/dbraw/zinc/98/84/02/1072988402.db2.gz DSHLZUQZUUVULR-KRWDZBQOSA-N 1 2 438.550 -0.471 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000476046957 1072988459 /nfs/dbraw/zinc/98/84/59/1072988459.db2.gz DSHLZUQZUUVULR-QGZVFWFLSA-N 1 2 438.550 -0.471 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@]1(O)CCSC1 ZINC000476057697 1072989444 /nfs/dbraw/zinc/98/94/44/1072989444.db2.gz CNQASEGVTYVWKH-KRWDZBQOSA-N 1 2 429.568 -0.299 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@]1(O)CCSC1 ZINC000476057698 1072989261 /nfs/dbraw/zinc/98/92/61/1072989261.db2.gz CNQASEGVTYVWKH-QGZVFWFLSA-N 1 2 429.568 -0.299 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000476074966 1072989744 /nfs/dbraw/zinc/98/97/44/1072989744.db2.gz XITKTDAIADFFPY-UHFFFAOYSA-N 1 2 442.484 -0.324 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000476158803 1072995120 /nfs/dbraw/zinc/99/51/20/1072995120.db2.gz OMCAVJDNFMPGLC-OAHLLOKOSA-N 1 2 429.547 -0.392 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476236956 1072997569 /nfs/dbraw/zinc/99/75/69/1072997569.db2.gz LDXVHMJNCPJXDE-INIZCTEOSA-N 1 2 428.497 -0.025 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476236961 1072997480 /nfs/dbraw/zinc/99/74/80/1072997480.db2.gz LDXVHMJNCPJXDE-MRXNPFEDSA-N 1 2 428.497 -0.025 20 0 IBADLO O=C(NCCc1nccs1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000476265511 1072998040 /nfs/dbraw/zinc/99/80/40/1072998040.db2.gz UQEHSBNKPKIIMC-UHFFFAOYSA-N 1 2 431.522 -0.223 20 0 IBADLO O=C(NCCc1nccs1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000476265511 1072998027 /nfs/dbraw/zinc/99/80/27/1072998027.db2.gz UQEHSBNKPKIIMC-UHFFFAOYSA-N 1 2 431.522 -0.223 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000476330354 1072999200 /nfs/dbraw/zinc/99/92/00/1072999200.db2.gz FLYBVJZDCCECCT-JXFKEZNVSA-N 1 2 438.525 -0.448 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000476330359 1072999066 /nfs/dbraw/zinc/99/90/66/1072999066.db2.gz FLYBVJZDCCECCT-OXJNMPFZSA-N 1 2 438.525 -0.448 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000476330362 1072999234 /nfs/dbraw/zinc/99/92/34/1072999234.db2.gz FLYBVJZDCCECCT-OXQOHEQNSA-N 1 2 438.525 -0.448 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000476330364 1072999150 /nfs/dbraw/zinc/99/91/50/1072999150.db2.gz FLYBVJZDCCECCT-UZLBHIALSA-N 1 2 438.525 -0.448 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000476465909 1073016337 /nfs/dbraw/zinc/01/63/37/1073016337.db2.gz XUWPABICNUYIJO-INIZCTEOSA-N 1 2 425.555 -0.447 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000476465910 1073016433 /nfs/dbraw/zinc/01/64/33/1073016433.db2.gz XUWPABICNUYIJO-MRXNPFEDSA-N 1 2 425.555 -0.447 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000476514759 1073022488 /nfs/dbraw/zinc/02/24/88/1073022488.db2.gz OOFQOPXLSQBJAO-UHFFFAOYSA-N 1 2 442.524 -0.033 20 0 IBADLO CCC1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000476630591 1073036570 /nfs/dbraw/zinc/03/65/70/1073036570.db2.gz HBBRQYCHVONBIP-UHFFFAOYSA-N 1 2 443.614 -0.045 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476735162 1073048892 /nfs/dbraw/zinc/04/88/92/1073048892.db2.gz XWOUVFHBNTZDOG-AWEZNQCLSA-N 1 2 439.538 -0.877 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476735162 1073048882 /nfs/dbraw/zinc/04/88/82/1073048882.db2.gz XWOUVFHBNTZDOG-AWEZNQCLSA-N 1 2 439.538 -0.877 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476735163 1073048805 /nfs/dbraw/zinc/04/88/05/1073048805.db2.gz XWOUVFHBNTZDOG-CQSZACIVSA-N 1 2 439.538 -0.877 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476735163 1073048793 /nfs/dbraw/zinc/04/87/93/1073048793.db2.gz XWOUVFHBNTZDOG-CQSZACIVSA-N 1 2 439.538 -0.877 20 0 IBADLO O=C(NCCN1C(=O)NC2(CCCC2)C1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000476844641 1073061717 /nfs/dbraw/zinc/06/17/17/1073061717.db2.gz ALGBRIBPPFNBDU-UHFFFAOYSA-N 1 2 430.513 -0.238 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476845545 1073061816 /nfs/dbraw/zinc/06/18/16/1073061816.db2.gz FUFWMWALPIFUNT-BDXSIMOUSA-N 1 2 430.615 -0.453 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476845545 1073061808 /nfs/dbraw/zinc/06/18/08/1073061808.db2.gz FUFWMWALPIFUNT-BDXSIMOUSA-N 1 2 430.615 -0.453 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476845556 1073061902 /nfs/dbraw/zinc/06/19/02/1073061902.db2.gz FUFWMWALPIFUNT-XSLAGTTESA-N 1 2 430.615 -0.453 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476845556 1073061899 /nfs/dbraw/zinc/06/18/99/1073061899.db2.gz FUFWMWALPIFUNT-XSLAGTTESA-N 1 2 430.615 -0.453 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857387 1073061167 /nfs/dbraw/zinc/06/11/67/1073061167.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857387 1073061160 /nfs/dbraw/zinc/06/11/60/1073061160.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857387 1073061154 /nfs/dbraw/zinc/06/11/54/1073061154.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857387 1073061149 /nfs/dbraw/zinc/06/11/49/1073061149.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857393 1073061234 /nfs/dbraw/zinc/06/12/34/1073061234.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857393 1073061226 /nfs/dbraw/zinc/06/12/26/1073061226.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857393 1073061220 /nfs/dbraw/zinc/06/12/20/1073061220.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857393 1073061215 /nfs/dbraw/zinc/06/12/15/1073061215.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061370 /nfs/dbraw/zinc/06/13/70/1073061370.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061363 /nfs/dbraw/zinc/06/13/63/1073061363.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061360 /nfs/dbraw/zinc/06/13/60/1073061360.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061356 /nfs/dbraw/zinc/06/13/56/1073061356.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061050 /nfs/dbraw/zinc/06/10/50/1073061050.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061044 /nfs/dbraw/zinc/06/10/44/1073061044.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061039 /nfs/dbraw/zinc/06/10/39/1073061039.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 1 2 440.585 -0.639 20 0 IBADLO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061031 /nfs/dbraw/zinc/06/10/31/1073061031.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 1 2 440.585 -0.639 20 0 IBADLO COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc(N3CCOCC3)[nH+]c1C)C2 ZINC000476901274 1073067234 /nfs/dbraw/zinc/06/72/34/1073067234.db2.gz CWNDPUSMXSGTIQ-UHFFFAOYSA-N 1 2 429.481 -0.012 20 0 IBADLO Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC000476966068 1073073549 /nfs/dbraw/zinc/07/35/49/1073073549.db2.gz ITRJYBJWCZJJJP-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000476989314 1073074739 /nfs/dbraw/zinc/07/47/39/1073074739.db2.gz MCDQEAJMFFYZBP-MSOLQXFVSA-N 1 2 431.603 -0.104 20 0 IBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000476989319 1073074632 /nfs/dbraw/zinc/07/46/32/1073074632.db2.gz MCDQEAJMFFYZBP-QZTJIDSGSA-N 1 2 431.603 -0.104 20 0 IBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000476989320 1073074781 /nfs/dbraw/zinc/07/47/81/1073074781.db2.gz MCDQEAJMFFYZBP-ROUUACIJSA-N 1 2 431.603 -0.104 20 0 IBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000476989322 1073074808 /nfs/dbraw/zinc/07/48/08/1073074808.db2.gz MCDQEAJMFFYZBP-ZWKOTPCHSA-N 1 2 431.603 -0.104 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477002868 1073076764 /nfs/dbraw/zinc/07/67/64/1073076764.db2.gz QVIXUYSOOUALRJ-UHFFFAOYSA-N 1 2 432.568 -0.609 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477012236 1073076240 /nfs/dbraw/zinc/07/62/40/1073076240.db2.gz OMFVSONJBHYIMU-UHFFFAOYSA-N 1 2 432.568 -0.563 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477019759 1073077439 /nfs/dbraw/zinc/07/74/39/1073077439.db2.gz NKKSGZAXLJGUQN-UHFFFAOYSA-N 1 2 446.595 -0.125 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477021957 1073077534 /nfs/dbraw/zinc/07/75/34/1073077534.db2.gz CMNHFMUNQSCUMV-HNNXBMFYSA-N 1 2 433.552 -0.136 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477021959 1073077404 /nfs/dbraw/zinc/07/74/04/1073077404.db2.gz CMNHFMUNQSCUMV-OAHLLOKOSA-N 1 2 433.552 -0.136 20 0 IBADLO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000477126862 1073081817 /nfs/dbraw/zinc/08/18/17/1073081817.db2.gz KCEZHXXTAAUCHY-UHFFFAOYSA-N 1 2 440.522 -0.995 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000477210918 1073086709 /nfs/dbraw/zinc/08/67/09/1073086709.db2.gz ABXVGBMNZKNAKH-UHFFFAOYSA-N 1 2 426.539 -0.226 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000477218735 1073087203 /nfs/dbraw/zinc/08/72/03/1073087203.db2.gz FVCOQSPHBLHXKD-UHFFFAOYSA-N 1 2 425.515 -0.644 20 0 IBADLO Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000477220451 1073087169 /nfs/dbraw/zinc/08/71/69/1073087169.db2.gz IWPWHOKSKVBOQU-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000477227584 1073088076 /nfs/dbraw/zinc/08/80/76/1073088076.db2.gz YUTVIHOYBZNNLW-GOSISDBHSA-N 1 2 429.587 -0.734 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000477227584 1073088066 /nfs/dbraw/zinc/08/80/66/1073088066.db2.gz YUTVIHOYBZNNLW-GOSISDBHSA-N 1 2 429.587 -0.734 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000477227585 1073087817 /nfs/dbraw/zinc/08/78/17/1073087817.db2.gz YUTVIHOYBZNNLW-SFHVURJKSA-N 1 2 429.587 -0.734 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000477227585 1073087808 /nfs/dbraw/zinc/08/78/08/1073087808.db2.gz YUTVIHOYBZNNLW-SFHVURJKSA-N 1 2 429.587 -0.734 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1 ZINC000477246077 1073089617 /nfs/dbraw/zinc/08/96/17/1073089617.db2.gz ZWXYZQRGPFMKMQ-UHFFFAOYSA-N 1 2 428.493 -0.071 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000477284175 1073092499 /nfs/dbraw/zinc/09/24/99/1073092499.db2.gz VBMGGAUVOZKVHI-FQEVSTJZSA-N 1 2 445.524 -0.670 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000477284176 1073092439 /nfs/dbraw/zinc/09/24/39/1073092439.db2.gz VBMGGAUVOZKVHI-HXUWFJFHSA-N 1 2 445.524 -0.670 20 0 IBADLO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000477336366 1073094340 /nfs/dbraw/zinc/09/43/40/1073094340.db2.gz HDIAMAGYYZWPGO-INIZCTEOSA-N 1 2 427.523 -0.543 20 0 IBADLO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000477336367 1073094614 /nfs/dbraw/zinc/09/46/14/1073094614.db2.gz HDIAMAGYYZWPGO-MRXNPFEDSA-N 1 2 427.523 -0.543 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2ccccc2S(N)(=O)=O)CC1 ZINC000477349659 1073095187 /nfs/dbraw/zinc/09/51/87/1073095187.db2.gz MHLCDFLULHSSJR-UHFFFAOYSA-N 1 2 431.478 -0.262 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cn1 ZINC000477407444 1073098509 /nfs/dbraw/zinc/09/85/09/1073098509.db2.gz SBXZMSSZIXTMNL-UHFFFAOYSA-N 1 2 441.535 -0.309 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477431191 1073099034 /nfs/dbraw/zinc/09/90/34/1073099034.db2.gz KLEYDMSEDJHDRJ-UHFFFAOYSA-N 1 2 441.554 -0.419 20 0 IBADLO CC1CCC(NC(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000477435382 1073099531 /nfs/dbraw/zinc/09/95/31/1073099531.db2.gz GYHMNNGBWOTPFB-UHFFFAOYSA-N 1 2 445.568 -0.254 20 0 IBADLO CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000477452596 1073100981 /nfs/dbraw/zinc/10/09/81/1073100981.db2.gz BDSCQTUYJWAVNQ-UHFFFAOYSA-N 1 2 445.476 -0.160 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCc1ccc2c(c1)OCO2 ZINC000477464434 1073100506 /nfs/dbraw/zinc/10/05/06/1073100506.db2.gz QBXRYZHTEGEGFY-UHFFFAOYSA-N 1 2 432.433 -0.455 20 0 IBADLO CN(C)C(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000477466241 1073100530 /nfs/dbraw/zinc/10/05/30/1073100530.db2.gz XBDRFXHRDBHSMP-UHFFFAOYSA-N 1 2 445.476 -0.160 20 0 IBADLO CCNC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000477469365 1073100040 /nfs/dbraw/zinc/10/00/40/1073100040.db2.gz PAZCRKWQYGIGQL-UHFFFAOYSA-N 1 2 445.476 -0.112 20 0 IBADLO COC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000477472770 1073101133 /nfs/dbraw/zinc/10/11/33/1073101133.db2.gz VNXROLKSAZNUAU-UHFFFAOYSA-N 1 2 432.433 -0.075 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000477479090 1073102081 /nfs/dbraw/zinc/10/20/81/1073102081.db2.gz HCRMPXPSTITZNP-JKSUJKDBSA-N 1 2 429.481 -0.582 20 0 IBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000477496154 1073103326 /nfs/dbraw/zinc/10/33/26/1073103326.db2.gz YZDJYFFZOMNMGD-AWEZNQCLSA-N 1 2 425.573 -0.443 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000477496154 1073103320 /nfs/dbraw/zinc/10/33/20/1073103320.db2.gz YZDJYFFZOMNMGD-AWEZNQCLSA-N 1 2 425.573 -0.443 20 0 IBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000477496155 1073103210 /nfs/dbraw/zinc/10/32/10/1073103210.db2.gz YZDJYFFZOMNMGD-CQSZACIVSA-N 1 2 425.573 -0.443 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000477496155 1073103205 /nfs/dbraw/zinc/10/32/05/1073103205.db2.gz YZDJYFFZOMNMGD-CQSZACIVSA-N 1 2 425.573 -0.443 20 0 IBADLO COCn1nccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477507754 1073102725 /nfs/dbraw/zinc/10/27/25/1073102725.db2.gz XHSWFYNHXIOPJJ-UHFFFAOYSA-N 1 2 444.539 -0.688 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3cnnn3C)cc2)CC1 ZINC000477522464 1073104382 /nfs/dbraw/zinc/10/43/82/1073104382.db2.gz IFEQNLBQWJWTEI-UHFFFAOYSA-N 1 2 436.538 -0.121 20 0 IBADLO O=C(NCCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477553421 1073107492 /nfs/dbraw/zinc/10/74/92/1073107492.db2.gz QKQRJDBYYGMIJV-KRWDZBQOSA-N 1 2 449.552 -0.072 20 0 IBADLO O=C(NCCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477553422 1073107465 /nfs/dbraw/zinc/10/74/65/1073107465.db2.gz QKQRJDBYYGMIJV-QGZVFWFLSA-N 1 2 449.552 -0.072 20 0 IBADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000477564652 1073106835 /nfs/dbraw/zinc/10/68/35/1073106835.db2.gz PJLKKXPEPDIURE-HNNXBMFYSA-N 1 2 425.555 -0.441 20 0 IBADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000477564652 1073106827 /nfs/dbraw/zinc/10/68/27/1073106827.db2.gz PJLKKXPEPDIURE-HNNXBMFYSA-N 1 2 425.555 -0.441 20 0 IBADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000477564654 1073107504 /nfs/dbraw/zinc/10/75/04/1073107504.db2.gz PJLKKXPEPDIURE-OAHLLOKOSA-N 1 2 425.555 -0.441 20 0 IBADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000477564654 1073107500 /nfs/dbraw/zinc/10/75/00/1073107500.db2.gz PJLKKXPEPDIURE-OAHLLOKOSA-N 1 2 425.555 -0.441 20 0 IBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000477624679 1073111527 /nfs/dbraw/zinc/11/15/27/1073111527.db2.gz AYZXGILERNCHLC-CABCVRRESA-N 1 2 437.497 -0.096 20 0 IBADLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000477624713 1073111553 /nfs/dbraw/zinc/11/15/53/1073111553.db2.gz AYZXGILERNCHLC-GJZGRUSLSA-N 1 2 437.497 -0.096 20 0 IBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000477624716 1073111501 /nfs/dbraw/zinc/11/15/01/1073111501.db2.gz AYZXGILERNCHLC-HUUCEWRRSA-N 1 2 437.497 -0.096 20 0 IBADLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000477624719 1073111512 /nfs/dbraw/zinc/11/15/12/1073111512.db2.gz AYZXGILERNCHLC-LSDHHAIUSA-N 1 2 437.497 -0.096 20 0 IBADLO CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000477626438 1073112033 /nfs/dbraw/zinc/11/20/33/1073112033.db2.gz HAYUWZPVSKUURF-HNNXBMFYSA-N 1 2 438.481 -0.699 20 0 IBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000477626439 1073111994 /nfs/dbraw/zinc/11/19/94/1073111994.db2.gz HAYUWZPVSKUURF-OAHLLOKOSA-N 1 2 438.481 -0.699 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)N1CC(=O)Nc2ccccc21 ZINC000477628386 1073112082 /nfs/dbraw/zinc/11/20/82/1073112082.db2.gz OKMLVOPDJZGPFG-UHFFFAOYSA-N 1 2 429.433 -0.515 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC(=O)NCc1ccccc1 ZINC000477628710 1073112073 /nfs/dbraw/zinc/11/20/73/1073112073.db2.gz PTLRFXVVRHHGFB-UHFFFAOYSA-N 1 2 431.449 -0.475 20 0 IBADLO COC(=O)c1sccc1NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000477629150 1073112050 /nfs/dbraw/zinc/11/20/50/1073112050.db2.gz RSHIISRIUDCQCX-UHFFFAOYSA-N 1 2 438.462 -0.014 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC(=O)NCc1cccs1 ZINC000477631739 1073112637 /nfs/dbraw/zinc/11/26/37/1073112637.db2.gz HNVNMCNPKPPQOG-UHFFFAOYSA-N 1 2 437.478 -0.413 20 0 IBADLO COC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000477631761 1073111520 /nfs/dbraw/zinc/11/15/20/1073111520.db2.gz HONGLOFJQBFXPH-UHFFFAOYSA-N 1 2 432.433 -0.075 20 0 IBADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000477635731 1073113722 /nfs/dbraw/zinc/11/37/22/1073113722.db2.gz VPBHUIMHAHOBBU-UHFFFAOYSA-N 1 2 435.529 -0.194 20 0 IBADLO O=C(Nc1cccc(N2C(=O)COCC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477658201 1073114707 /nfs/dbraw/zinc/11/47/07/1073114707.db2.gz AMTVCGXNBRYUIY-HNNXBMFYSA-N 1 2 430.461 -0.304 20 0 IBADLO O=C(Nc1cccc(N2C(=O)COCC2=O)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477658202 1073114620 /nfs/dbraw/zinc/11/46/20/1073114620.db2.gz AMTVCGXNBRYUIY-OAHLLOKOSA-N 1 2 430.461 -0.304 20 0 IBADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000477664645 1073310300 /nfs/dbraw/zinc/31/03/00/1073310300.db2.gz JNLVHXQGFBIVRV-UHFFFAOYSA-N 1 2 435.529 -0.194 20 0 IBADLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477793435 1073192257 /nfs/dbraw/zinc/19/22/57/1073192257.db2.gz HNAPMAGBDVBHSY-IBGZPJMESA-N 1 2 435.569 -0.772 20 0 IBADLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477793438 1073192322 /nfs/dbraw/zinc/19/23/22/1073192322.db2.gz HNAPMAGBDVBHSY-LJQANCHMSA-N 1 2 435.569 -0.772 20 0 IBADLO CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000477811370 1073192824 /nfs/dbraw/zinc/19/28/24/1073192824.db2.gz NBRHSEQYANGJRN-INIZCTEOSA-N 1 2 438.554 -0.204 20 0 IBADLO CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000477811375 1073192834 /nfs/dbraw/zinc/19/28/34/1073192834.db2.gz NBRHSEQYANGJRN-MRXNPFEDSA-N 1 2 438.554 -0.204 20 0 IBADLO Cc1cccc(CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000477909451 1073195044 /nfs/dbraw/zinc/19/50/44/1073195044.db2.gz NHTJCAJLWMEVJO-UHFFFAOYSA-N 1 2 437.566 -0.710 20 0 IBADLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)c1 ZINC000478042133 1073199900 /nfs/dbraw/zinc/19/99/00/1073199900.db2.gz RRNDVFATXVLUGN-FHWLQOOXSA-N 1 2 439.534 -0.104 20 0 IBADLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)c1 ZINC000478042134 1073199925 /nfs/dbraw/zinc/19/99/25/1073199925.db2.gz RRNDVFATXVLUGN-GBESFXJTSA-N 1 2 439.534 -0.104 20 0 IBADLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)c1 ZINC000478042135 1073199980 /nfs/dbraw/zinc/19/99/80/1073199980.db2.gz RRNDVFATXVLUGN-IPMKNSEASA-N 1 2 439.534 -0.104 20 0 IBADLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)c1 ZINC000478042136 1073199953 /nfs/dbraw/zinc/19/99/53/1073199953.db2.gz RRNDVFATXVLUGN-OTWHNJEPSA-N 1 2 439.534 -0.104 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000478060053 1073200278 /nfs/dbraw/zinc/20/02/78/1073200278.db2.gz GTFMJJNUXBRGSE-HNNXBMFYSA-N 1 2 435.462 -0.956 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000478060053 1073200266 /nfs/dbraw/zinc/20/02/66/1073200266.db2.gz GTFMJJNUXBRGSE-HNNXBMFYSA-N 1 2 435.462 -0.956 20 0 IBADLO O=C(NCCc1nnc2n1CCC2)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478109567 1073201799 /nfs/dbraw/zinc/20/17/99/1073201799.db2.gz FZJCOANUTVQQNX-UHFFFAOYSA-N 1 2 448.553 -0.387 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000478132142 1073202916 /nfs/dbraw/zinc/20/29/16/1073202916.db2.gz BMLCQAQSTYDMHR-UHFFFAOYSA-N 1 2 447.517 -0.030 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000478134909 1073334350 /nfs/dbraw/zinc/33/43/50/1073334350.db2.gz IZGDRLXEFPSMFB-UHFFFAOYSA-N 1 2 447.517 -0.030 20 0 IBADLO CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000478174091 1073204697 /nfs/dbraw/zinc/20/46/97/1073204697.db2.gz BAMDCTUNBBFEGJ-CVEARBPZSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000478174093 1073204733 /nfs/dbraw/zinc/20/47/33/1073204733.db2.gz BAMDCTUNBBFEGJ-HOTGVXAUSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000478174095 1073338822 /nfs/dbraw/zinc/33/88/22/1073338822.db2.gz BAMDCTUNBBFEGJ-HZPDHXFCSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000478174097 1073338779 /nfs/dbraw/zinc/33/87/79/1073338779.db2.gz BAMDCTUNBBFEGJ-JKSUJKDBSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000478196857 1073205713 /nfs/dbraw/zinc/20/57/13/1073205713.db2.gz OWKLSGIKTKDDBI-DLBZAZTESA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000478196859 1073205752 /nfs/dbraw/zinc/20/57/52/1073205752.db2.gz OWKLSGIKTKDDBI-IAGOWNOFSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000478196860 1073205587 /nfs/dbraw/zinc/20/55/87/1073205587.db2.gz OWKLSGIKTKDDBI-IRXDYDNUSA-N 1 2 437.497 -0.277 20 0 IBADLO CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000478196862 1073205574 /nfs/dbraw/zinc/20/55/74/1073205574.db2.gz OWKLSGIKTKDDBI-SJORKVTESA-N 1 2 437.497 -0.277 20 0 IBADLO O=C(Nc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000478220436 1073207487 /nfs/dbraw/zinc/20/74/87/1073207487.db2.gz AIYVUTUFPXNZKV-HNNXBMFYSA-N 1 2 425.507 -0.428 20 0 IBADLO O=C(Nc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000478220674 1073207651 /nfs/dbraw/zinc/20/76/51/1073207651.db2.gz AIYVUTUFPXNZKV-OAHLLOKOSA-N 1 2 425.507 -0.428 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000478254157 1073208616 /nfs/dbraw/zinc/20/86/16/1073208616.db2.gz KRXXRJPULWFLQG-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000478254157 1073208612 /nfs/dbraw/zinc/20/86/12/1073208612.db2.gz KRXXRJPULWFLQG-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000478309430 1073211321 /nfs/dbraw/zinc/21/13/21/1073211321.db2.gz MNNMCMLYMZNMSX-KRWDZBQOSA-N 1 2 438.550 -0.218 20 0 IBADLO CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000478309441 1073211358 /nfs/dbraw/zinc/21/13/58/1073211358.db2.gz MNNMCMLYMZNMSX-QGZVFWFLSA-N 1 2 438.550 -0.218 20 0 IBADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)no1 ZINC000478347894 1073216328 /nfs/dbraw/zinc/21/63/28/1073216328.db2.gz URMQDHFIGOSYNA-INIZCTEOSA-N 1 2 428.559 -0.232 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)no1 ZINC000478347894 1073216324 /nfs/dbraw/zinc/21/63/24/1073216324.db2.gz URMQDHFIGOSYNA-INIZCTEOSA-N 1 2 428.559 -0.232 20 0 IBADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)no1 ZINC000478347895 1073216291 /nfs/dbraw/zinc/21/62/91/1073216291.db2.gz URMQDHFIGOSYNA-MRXNPFEDSA-N 1 2 428.559 -0.232 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)no1 ZINC000478347895 1073216280 /nfs/dbraw/zinc/21/62/80/1073216280.db2.gz URMQDHFIGOSYNA-MRXNPFEDSA-N 1 2 428.559 -0.232 20 0 IBADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)no1 ZINC000478354833 1073216737 /nfs/dbraw/zinc/21/67/37/1073216737.db2.gz NQJLTIHAIRHCFL-AWEZNQCLSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)no1 ZINC000478354833 1073216727 /nfs/dbraw/zinc/21/67/27/1073216727.db2.gz NQJLTIHAIRHCFL-AWEZNQCLSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)no1 ZINC000478354846 1073216926 /nfs/dbraw/zinc/21/69/26/1073216926.db2.gz NQJLTIHAIRHCFL-CQSZACIVSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)no1 ZINC000478354846 1073216920 /nfs/dbraw/zinc/21/69/20/1073216920.db2.gz NQJLTIHAIRHCFL-CQSZACIVSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)no1 ZINC000478360438 1073216991 /nfs/dbraw/zinc/21/69/91/1073216991.db2.gz IJQUAFDIWPFKIU-AWEZNQCLSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)no1 ZINC000478360438 1073216984 /nfs/dbraw/zinc/21/69/84/1073216984.db2.gz IJQUAFDIWPFKIU-AWEZNQCLSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)no1 ZINC000478360440 1073217026 /nfs/dbraw/zinc/21/70/26/1073217026.db2.gz IJQUAFDIWPFKIU-CQSZACIVSA-N 1 2 444.496 -0.362 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)no1 ZINC000478360440 1073217020 /nfs/dbraw/zinc/21/70/20/1073217020.db2.gz IJQUAFDIWPFKIU-CQSZACIVSA-N 1 2 444.496 -0.362 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000478367923 1073217585 /nfs/dbraw/zinc/21/75/85/1073217585.db2.gz GIPNTECVSIFMDE-INIZCTEOSA-N 1 2 429.539 -0.315 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000478367927 1073217858 /nfs/dbraw/zinc/21/78/58/1073217858.db2.gz GIPNTECVSIFMDE-MRXNPFEDSA-N 1 2 429.539 -0.315 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000478370961 1073217833 /nfs/dbraw/zinc/21/78/33/1073217833.db2.gz ONBVPZIPYFHEIK-MSOLQXFVSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000478370963 1073217790 /nfs/dbraw/zinc/21/77/90/1073217790.db2.gz ONBVPZIPYFHEIK-QZTJIDSGSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000478370965 1073217604 /nfs/dbraw/zinc/21/76/04/1073217604.db2.gz ONBVPZIPYFHEIK-ROUUACIJSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000478370966 1073217777 /nfs/dbraw/zinc/21/77/77/1073217777.db2.gz ONBVPZIPYFHEIK-ZWKOTPCHSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000478375410 1073218217 /nfs/dbraw/zinc/21/82/17/1073218217.db2.gz YOOXFAUVJXBRNA-MSOLQXFVSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000478375411 1073218237 /nfs/dbraw/zinc/21/82/37/1073218237.db2.gz YOOXFAUVJXBRNA-QZTJIDSGSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000478375412 1073218123 /nfs/dbraw/zinc/21/81/23/1073218123.db2.gz YOOXFAUVJXBRNA-ROUUACIJSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000478375414 1073218252 /nfs/dbraw/zinc/21/82/52/1073218252.db2.gz YOOXFAUVJXBRNA-ZWKOTPCHSA-N 1 2 441.550 -0.091 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000478396839 1073218995 /nfs/dbraw/zinc/21/89/95/1073218995.db2.gz FUCMPQAQUUNIHY-KRWDZBQOSA-N 1 2 427.523 -0.527 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000478396840 1073218804 /nfs/dbraw/zinc/21/88/04/1073218804.db2.gz FUCMPQAQUUNIHY-QGZVFWFLSA-N 1 2 427.523 -0.527 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000478407652 1073219828 /nfs/dbraw/zinc/21/98/28/1073219828.db2.gz STXBSLZQVSHPFK-KRWDZBQOSA-N 1 2 444.554 -0.156 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000478407655 1073219790 /nfs/dbraw/zinc/21/97/90/1073219790.db2.gz STXBSLZQVSHPFK-QGZVFWFLSA-N 1 2 444.554 -0.156 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000478424045 1073221345 /nfs/dbraw/zinc/22/13/45/1073221345.db2.gz BMIOXWSUFARYPD-HNNXBMFYSA-N 1 2 445.538 -0.476 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000478424046 1073221748 /nfs/dbraw/zinc/22/17/48/1073221748.db2.gz BMIOXWSUFARYPD-OAHLLOKOSA-N 1 2 445.538 -0.476 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000478425472 1073221783 /nfs/dbraw/zinc/22/17/83/1073221783.db2.gz HTIWVDMBRBJLBN-AWEZNQCLSA-N 1 2 432.568 -0.483 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000478425473 1073221702 /nfs/dbraw/zinc/22/17/02/1073221702.db2.gz HTIWVDMBRBJLBN-CQSZACIVSA-N 1 2 432.568 -0.483 20 0 IBADLO COc1cc(C(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000478429776 1073220821 /nfs/dbraw/zinc/22/08/21/1073220821.db2.gz SFUYKLVHKLIRDH-HNNXBMFYSA-N 1 2 425.482 -0.406 20 0 IBADLO COc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000478429781 1073220870 /nfs/dbraw/zinc/22/08/70/1073220870.db2.gz SFUYKLVHKLIRDH-OAHLLOKOSA-N 1 2 425.482 -0.406 20 0 IBADLO CCOC(=O)C1(COC)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000478438736 1073221260 /nfs/dbraw/zinc/22/12/60/1073221260.db2.gz ZJVSFRBTPGNRLV-KRWDZBQOSA-N 1 2 425.526 -0.015 20 0 IBADLO CCOC(=O)C1(COC)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000478438737 1073221331 /nfs/dbraw/zinc/22/13/31/1073221331.db2.gz ZJVSFRBTPGNRLV-QGZVFWFLSA-N 1 2 425.526 -0.015 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000478453334 1073221796 /nfs/dbraw/zinc/22/17/96/1073221796.db2.gz CGGIMOXQJOTPOS-KRWDZBQOSA-N 1 2 427.523 -0.291 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000478453341 1073221840 /nfs/dbraw/zinc/22/18/40/1073221840.db2.gz CGGIMOXQJOTPOS-QGZVFWFLSA-N 1 2 427.523 -0.291 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000478459782 1073223266 /nfs/dbraw/zinc/22/32/66/1073223266.db2.gz OAFXTWFUBGAGSN-INIZCTEOSA-N 1 2 428.555 -0.035 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000478459783 1073223408 /nfs/dbraw/zinc/22/34/08/1073223408.db2.gz OAFXTWFUBGAGSN-MRXNPFEDSA-N 1 2 428.555 -0.035 20 0 IBADLO COc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000478484764 1073225977 /nfs/dbraw/zinc/22/59/77/1073225977.db2.gz HHRQNPLWEMUIMU-INIZCTEOSA-N 1 2 427.523 -0.099 20 0 IBADLO COc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000478484766 1073225934 /nfs/dbraw/zinc/22/59/34/1073225934.db2.gz HHRQNPLWEMUIMU-MRXNPFEDSA-N 1 2 427.523 -0.099 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000478489987 1073225359 /nfs/dbraw/zinc/22/53/59/1073225359.db2.gz VZJNLIRYBAAYOF-KRWDZBQOSA-N 1 2 427.523 -0.291 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000478489991 1073225531 /nfs/dbraw/zinc/22/55/31/1073225531.db2.gz VZJNLIRYBAAYOF-QGZVFWFLSA-N 1 2 427.523 -0.291 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000478512680 1073226445 /nfs/dbraw/zinc/22/64/45/1073226445.db2.gz OTQPYJNXVBTBJN-INIZCTEOSA-N 1 2 429.539 -0.095 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000478512681 1073226485 /nfs/dbraw/zinc/22/64/85/1073226485.db2.gz OTQPYJNXVBTBJN-MRXNPFEDSA-N 1 2 429.539 -0.095 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000478517173 1073226353 /nfs/dbraw/zinc/22/63/53/1073226353.db2.gz NGAAYIPKJRSRNE-UHFFFAOYSA-N 1 2 428.511 -0.142 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2ccccn2c1=O ZINC000478581312 1073230864 /nfs/dbraw/zinc/23/08/64/1073230864.db2.gz ATBPURKNXYJPFB-UHFFFAOYSA-N 1 2 442.501 -0.029 20 0 IBADLO O=C(Cc1nc2ncccn2n1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478586209 1073230856 /nfs/dbraw/zinc/23/08/56/1073230856.db2.gz LVOBMGZDYSTVEO-UHFFFAOYSA-N 1 2 430.494 -0.670 20 0 IBADLO O=C(Cn1nc2ccccn2c1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478614215 1073232283 /nfs/dbraw/zinc/23/22/83/1073232283.db2.gz FUYQEPCJOREHNL-UHFFFAOYSA-N 1 2 445.505 -0.841 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cncn2)nc1 ZINC000478616315 1073232375 /nfs/dbraw/zinc/23/23/75/1073232375.db2.gz QLGVJFWEIXCIAE-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO O=C(CCC(=O)N1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478671067 1073236479 /nfs/dbraw/zinc/23/64/79/1073236479.db2.gz CEHBMJNDKKOXGR-UHFFFAOYSA-N 1 2 439.538 -0.711 20 0 IBADLO Cn1nnnc1SCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478679878 1073238050 /nfs/dbraw/zinc/23/80/50/1073238050.db2.gz VRJDQBDMJZZTHT-UHFFFAOYSA-N 1 2 440.555 -0.645 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn([C@H]2CCOC2)nn1 ZINC000478698042 1073240231 /nfs/dbraw/zinc/24/02/31/1073240231.db2.gz WYRQKBPTPVMUII-HNNXBMFYSA-N 1 2 435.510 -0.484 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn([C@@H]2CCOC2)nn1 ZINC000478698059 1073239906 /nfs/dbraw/zinc/23/99/06/1073239906.db2.gz WYRQKBPTPVMUII-OAHLLOKOSA-N 1 2 435.510 -0.484 20 0 IBADLO Cc1nn(C)c(C)c1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478702785 1073238598 /nfs/dbraw/zinc/23/85/98/1073238598.db2.gz MOFUZBONDDSEDV-UHFFFAOYSA-N 1 2 434.522 -0.117 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cnnn2)c1 ZINC000478705037 1073238876 /nfs/dbraw/zinc/23/88/76/1073238876.db2.gz UAWQEHSMSGQOIG-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000478705584 1073238966 /nfs/dbraw/zinc/23/89/66/1073238966.db2.gz UUGNWWZXXNGQRC-UHFFFAOYSA-N 1 2 443.507 -0.796 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478725337 1073242321 /nfs/dbraw/zinc/24/23/21/1073242321.db2.gz QJBSNGZLDRSYEA-UHFFFAOYSA-N 1 2 447.536 -0.430 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478725337 1073242315 /nfs/dbraw/zinc/24/23/15/1073242315.db2.gz QJBSNGZLDRSYEA-UHFFFAOYSA-N 1 2 447.536 -0.430 20 0 IBADLO C[C@H]1c2nncn2CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478769940 1073243767 /nfs/dbraw/zinc/24/37/67/1073243767.db2.gz JRJRVZFWSWVVEL-HNNXBMFYSA-N 1 2 434.526 -0.089 20 0 IBADLO C[C@@H]1c2nncn2CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478769947 1073243961 /nfs/dbraw/zinc/24/39/61/1073243961.db2.gz JRJRVZFWSWVVEL-OAHLLOKOSA-N 1 2 434.526 -0.089 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478797904 1073245330 /nfs/dbraw/zinc/24/53/30/1073245330.db2.gz GCEBCQJEAJGXGL-UHFFFAOYSA-N 1 2 441.535 -0.554 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478797904 1073245327 /nfs/dbraw/zinc/24/53/27/1073245327.db2.gz GCEBCQJEAJGXGL-UHFFFAOYSA-N 1 2 441.535 -0.554 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1)N1CCCC1 ZINC000478804636 1073246177 /nfs/dbraw/zinc/24/61/77/1073246177.db2.gz REAHOWRCOMLZBI-UHFFFAOYSA-N 1 2 433.578 -0.011 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1)N1CCCC1 ZINC000478804636 1073246172 /nfs/dbraw/zinc/24/61/72/1073246172.db2.gz REAHOWRCOMLZBI-UHFFFAOYSA-N 1 2 433.578 -0.011 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000478856055 1073248662 /nfs/dbraw/zinc/24/86/62/1073248662.db2.gz MQMQFDOZGVGVRB-UHFFFAOYSA-N 1 2 449.577 -0.775 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000478856055 1073248654 /nfs/dbraw/zinc/24/86/54/1073248654.db2.gz MQMQFDOZGVGVRB-UHFFFAOYSA-N 1 2 449.577 -0.775 20 0 IBADLO Cc1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000478866367 1073250114 /nfs/dbraw/zinc/25/01/14/1073250114.db2.gz LRJVADCWDUIDKT-HNNXBMFYSA-N 1 2 431.493 -0.496 20 0 IBADLO Cc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000478866370 1073249998 /nfs/dbraw/zinc/24/99/98/1073249998.db2.gz LRJVADCWDUIDKT-OAHLLOKOSA-N 1 2 431.493 -0.496 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1)N1CCOCC1 ZINC000478868449 1073250128 /nfs/dbraw/zinc/25/01/28/1073250128.db2.gz OOQIZNMVDXYRBV-UHFFFAOYSA-N 1 2 449.577 -0.775 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1)N1CCOCC1 ZINC000478868449 1073250124 /nfs/dbraw/zinc/25/01/24/1073250124.db2.gz OOQIZNMVDXYRBV-UHFFFAOYSA-N 1 2 449.577 -0.775 20 0 IBADLO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478874268 1073250061 /nfs/dbraw/zinc/25/00/61/1073250061.db2.gz MZJGUQGUWFPNJF-IBGZPJMESA-N 1 2 446.552 -0.145 20 0 IBADLO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478874270 1073250075 /nfs/dbraw/zinc/25/00/75/1073250075.db2.gz MZJGUQGUWFPNJF-LJQANCHMSA-N 1 2 446.552 -0.145 20 0 IBADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000478875016 1073250603 /nfs/dbraw/zinc/25/06/03/1073250603.db2.gz ZQUWOCDJZNQLLS-UHFFFAOYSA-N 1 2 433.534 -0.828 20 0 IBADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000478875016 1073250599 /nfs/dbraw/zinc/25/05/99/1073250599.db2.gz ZQUWOCDJZNQLLS-UHFFFAOYSA-N 1 2 433.534 -0.828 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478876522 1073250475 /nfs/dbraw/zinc/25/04/75/1073250475.db2.gz RNHFKONCPKEHOC-HNNXBMFYSA-N 1 2 430.527 -0.497 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478876523 1073250434 /nfs/dbraw/zinc/25/04/34/1073250434.db2.gz RNHFKONCPKEHOC-OAHLLOKOSA-N 1 2 430.527 -0.497 20 0 IBADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000478890674 1073250626 /nfs/dbraw/zinc/25/06/26/1073250626.db2.gz YJMDBUDZMHJXGG-UHFFFAOYSA-N 1 2 446.620 -0.283 20 0 IBADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000478890674 1073250623 /nfs/dbraw/zinc/25/06/23/1073250623.db2.gz YJMDBUDZMHJXGG-UHFFFAOYSA-N 1 2 446.620 -0.283 20 0 IBADLO CCc1nn(C)c(CC)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000478900652 1073251069 /nfs/dbraw/zinc/25/10/69/1073251069.db2.gz UQXWVTZGMOUMEF-UHFFFAOYSA-N 1 2 426.587 -0.276 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CC2)c1=O ZINC000478915774 1073251511 /nfs/dbraw/zinc/25/15/11/1073251511.db2.gz YROHSPORFLJBPO-UHFFFAOYSA-N 1 2 430.534 -0.335 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CC2)c1=O ZINC000478915774 1073251507 /nfs/dbraw/zinc/25/15/07/1073251507.db2.gz YROHSPORFLJBPO-UHFFFAOYSA-N 1 2 430.534 -0.335 20 0 IBADLO Cn1nccc1N1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000478922247 1073251960 /nfs/dbraw/zinc/25/19/60/1073251960.db2.gz DQYNZICLUXMILO-INIZCTEOSA-N 1 2 427.513 -0.173 20 0 IBADLO Cn1nccc1N1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000478922249 1073251948 /nfs/dbraw/zinc/25/19/48/1073251948.db2.gz DQYNZICLUXMILO-MRXNPFEDSA-N 1 2 427.513 -0.173 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000478924236 1073252294 /nfs/dbraw/zinc/25/22/94/1073252294.db2.gz JCCCJGCCWYPDOE-UHFFFAOYSA-N 1 2 448.549 -0.136 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478935505 1073254827 /nfs/dbraw/zinc/25/48/27/1073254827.db2.gz YGRPXALMWJLKTO-DOTOQJQBSA-N 1 2 443.570 -0.347 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478935513 1073254858 /nfs/dbraw/zinc/25/48/58/1073254858.db2.gz YGRPXALMWJLKTO-NVXWUHKLSA-N 1 2 443.570 -0.347 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478935515 1073254850 /nfs/dbraw/zinc/25/48/50/1073254850.db2.gz YGRPXALMWJLKTO-RDJZCZTQSA-N 1 2 443.570 -0.347 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478935517 1073255035 /nfs/dbraw/zinc/25/50/35/1073255035.db2.gz YGRPXALMWJLKTO-WBVHZDCISA-N 1 2 443.570 -0.347 20 0 IBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478937867 1073254890 /nfs/dbraw/zinc/25/48/90/1073254890.db2.gz TZXZEIAOJHFVBU-AWEZNQCLSA-N 1 2 443.522 -0.086 20 0 IBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478937870 1073254929 /nfs/dbraw/zinc/25/49/29/1073254929.db2.gz TZXZEIAOJHFVBU-CQSZACIVSA-N 1 2 443.522 -0.086 20 0 IBADLO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000478954008 1073255940 /nfs/dbraw/zinc/25/59/40/1073255940.db2.gz NDCMQKNTCNVGGC-HNNXBMFYSA-N 1 2 431.493 -0.496 20 0 IBADLO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000478954009 1073255805 /nfs/dbraw/zinc/25/58/05/1073255805.db2.gz NDCMQKNTCNVGGC-OAHLLOKOSA-N 1 2 431.493 -0.496 20 0 IBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478955218 1073255846 /nfs/dbraw/zinc/25/58/46/1073255846.db2.gz OICSOLNODGLTSQ-GFCCVEGCSA-N 1 2 431.287 -0.339 20 0 IBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478955219 1073255950 /nfs/dbraw/zinc/25/59/50/1073255950.db2.gz OICSOLNODGLTSQ-LBPRGKRZSA-N 1 2 431.287 -0.339 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478971297 1073255908 /nfs/dbraw/zinc/25/59/08/1073255908.db2.gz ZUFHUVCKSWLIHO-GOEBONIOSA-N 1 2 430.527 -0.092 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478971298 1073255748 /nfs/dbraw/zinc/25/57/48/1073255748.db2.gz ZUFHUVCKSWLIHO-HOCLYGCPSA-N 1 2 430.527 -0.092 20 0 IBADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479000082 1073257393 /nfs/dbraw/zinc/25/73/93/1073257393.db2.gz WHXYVNXHRRGGDG-INIZCTEOSA-N 1 2 442.538 -0.401 20 0 IBADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479000083 1073257469 /nfs/dbraw/zinc/25/74/69/1073257469.db2.gz WHXYVNXHRRGGDG-MRXNPFEDSA-N 1 2 442.538 -0.401 20 0 IBADLO CCc1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000479015120 1073259236 /nfs/dbraw/zinc/25/92/36/1073259236.db2.gz KOCMQAFFSOABNI-HNNXBMFYSA-N 1 2 445.520 -0.242 20 0 IBADLO CCc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000479015123 1073259221 /nfs/dbraw/zinc/25/92/21/1073259221.db2.gz KOCMQAFFSOABNI-OAHLLOKOSA-N 1 2 445.520 -0.242 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1C ZINC000479016501 1073259761 /nfs/dbraw/zinc/25/97/61/1073259761.db2.gz FTIPXOVIMUNVCG-INIZCTEOSA-N 1 2 429.543 -0.653 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1C ZINC000479016502 1073259645 /nfs/dbraw/zinc/25/96/45/1073259645.db2.gz FTIPXOVIMUNVCG-MRXNPFEDSA-N 1 2 429.543 -0.653 20 0 IBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479092033 1073262410 /nfs/dbraw/zinc/26/24/10/1073262410.db2.gz CWTSVPFCNPKYRK-INIZCTEOSA-N 1 2 438.550 -0.010 20 0 IBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479092034 1073262478 /nfs/dbraw/zinc/26/24/78/1073262478.db2.gz CWTSVPFCNPKYRK-MRXNPFEDSA-N 1 2 438.550 -0.010 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000479192820 1073267289 /nfs/dbraw/zinc/26/72/89/1073267289.db2.gz RDGJLMBXILQBIH-IBGZPJMESA-N 1 2 442.524 -0.530 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000479192823 1073267333 /nfs/dbraw/zinc/26/73/33/1073267333.db2.gz RDGJLMBXILQBIH-LJQANCHMSA-N 1 2 442.524 -0.530 20 0 IBADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000479302912 1073272044 /nfs/dbraw/zinc/27/20/44/1073272044.db2.gz NJBANSCRRYZSJT-UHFFFAOYSA-N 1 2 428.511 -0.341 20 0 IBADLO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000479304447 1073271976 /nfs/dbraw/zinc/27/19/76/1073271976.db2.gz RFGBJEWLSYTNIO-INIZCTEOSA-N 1 2 426.539 -0.417 20 0 IBADLO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000479304448 1073272094 /nfs/dbraw/zinc/27/20/94/1073272094.db2.gz RFGBJEWLSYTNIO-MRXNPFEDSA-N 1 2 426.539 -0.417 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)cc2)CC1 ZINC000479346340 1073274437 /nfs/dbraw/zinc/27/44/37/1073274437.db2.gz PYMQYVRGCGLBTA-UHFFFAOYSA-N 1 2 425.555 -0.053 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000479538834 1073281660 /nfs/dbraw/zinc/28/16/60/1073281660.db2.gz GBJAHEGRPBVXIF-UHFFFAOYSA-N 1 2 448.549 -0.359 20 0 IBADLO Cc1nc(NC2CCN(S(C)(=O)=O)CC2)nc(NC2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC000479824235 1073350043 /nfs/dbraw/zinc/35/00/43/1073350043.db2.gz VMVJMRSZHGAORT-UHFFFAOYSA-N 1 2 447.587 -0.148 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000479834321 1073294719 /nfs/dbraw/zinc/29/47/19/1073294719.db2.gz ABAXIXKUGFJXHF-FUHIMQAGSA-N 1 2 428.599 -0.122 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000479834321 1073294716 /nfs/dbraw/zinc/29/47/16/1073294716.db2.gz ABAXIXKUGFJXHF-FUHIMQAGSA-N 1 2 428.599 -0.122 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000479834322 1073294689 /nfs/dbraw/zinc/29/46/89/1073294689.db2.gz ABAXIXKUGFJXHF-QKLQHJQFSA-N 1 2 428.599 -0.122 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000479834322 1073294686 /nfs/dbraw/zinc/29/46/86/1073294686.db2.gz ABAXIXKUGFJXHF-QKLQHJQFSA-N 1 2 428.599 -0.122 20 0 IBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)N4CCCCCC4)CC3)nc[nH+]2)CC1=O ZINC000479842313 1073296027 /nfs/dbraw/zinc/29/60/27/1073296027.db2.gz SVBWEOYLTVEGCN-UHFFFAOYSA-N 1 2 437.570 -0.002 20 0 IBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)N4CCCCCC4)CC3)[nH+]cn2)CC1=O ZINC000479842313 1073296022 /nfs/dbraw/zinc/29/60/22/1073296022.db2.gz SVBWEOYLTVEGCN-UHFFFAOYSA-N 1 2 437.570 -0.002 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000479864809 1073297404 /nfs/dbraw/zinc/29/74/04/1073297404.db2.gz MREKIEMDSGYOGS-JXFKEZNVSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000479864809 1073297396 /nfs/dbraw/zinc/29/73/96/1073297396.db2.gz MREKIEMDSGYOGS-JXFKEZNVSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000479864811 1073297467 /nfs/dbraw/zinc/29/74/67/1073297467.db2.gz MREKIEMDSGYOGS-OXJNMPFZSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000479864811 1073297466 /nfs/dbraw/zinc/29/74/66/1073297466.db2.gz MREKIEMDSGYOGS-OXJNMPFZSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000479864813 1073297346 /nfs/dbraw/zinc/29/73/46/1073297346.db2.gz MREKIEMDSGYOGS-OXQOHEQNSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000479864813 1073297341 /nfs/dbraw/zinc/29/73/41/1073297341.db2.gz MREKIEMDSGYOGS-OXQOHEQNSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000479864815 1073297512 /nfs/dbraw/zinc/29/75/12/1073297512.db2.gz MREKIEMDSGYOGS-UZLBHIALSA-N 1 2 442.582 -0.594 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000479864815 1073297507 /nfs/dbraw/zinc/29/75/07/1073297507.db2.gz MREKIEMDSGYOGS-UZLBHIALSA-N 1 2 442.582 -0.594 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000479891802 1073299357 /nfs/dbraw/zinc/29/93/57/1073299357.db2.gz WNRYVWVNDCPVFF-FQEVSTJZSA-N 1 2 428.599 -0.120 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000479891803 1073299151 /nfs/dbraw/zinc/29/91/51/1073299151.db2.gz WNRYVWVNDCPVFF-HXUWFJFHSA-N 1 2 428.599 -0.120 20 0 IBADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000479892750 1073299221 /nfs/dbraw/zinc/29/92/21/1073299221.db2.gz VFLDMIOLEBFJRY-DLBZAZTESA-N 1 2 428.461 -0.075 20 0 IBADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000479892751 1073299344 /nfs/dbraw/zinc/29/93/44/1073299344.db2.gz VFLDMIOLEBFJRY-IAGOWNOFSA-N 1 2 428.461 -0.075 20 0 IBADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000479892752 1073299231 /nfs/dbraw/zinc/29/92/31/1073299231.db2.gz VFLDMIOLEBFJRY-IRXDYDNUSA-N 1 2 428.461 -0.075 20 0 IBADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000479892753 1073299174 /nfs/dbraw/zinc/29/91/74/1073299174.db2.gz VFLDMIOLEBFJRY-SJORKVTESA-N 1 2 428.461 -0.075 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479906857 1073300712 /nfs/dbraw/zinc/30/07/12/1073300712.db2.gz AXFLGZNYFBJJFA-UHFFFAOYSA-N 1 2 446.552 -0.583 20 0 IBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479908223 1073300540 /nfs/dbraw/zinc/30/05/40/1073300540.db2.gz FUSOTZBYTFMSCM-UHFFFAOYSA-N 1 2 444.536 -0.294 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000479916679 1073302027 /nfs/dbraw/zinc/30/20/27/1073302027.db2.gz AHNLWXOZLLBAKG-DLBZAZTESA-N 1 2 431.541 -0.385 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000479916697 1073301523 /nfs/dbraw/zinc/30/15/23/1073301523.db2.gz AHNLWXOZLLBAKG-IAGOWNOFSA-N 1 2 431.541 -0.385 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000479916700 1073301504 /nfs/dbraw/zinc/30/15/04/1073301504.db2.gz AHNLWXOZLLBAKG-IRXDYDNUSA-N 1 2 431.541 -0.385 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000479916701 1073301969 /nfs/dbraw/zinc/30/19/69/1073301969.db2.gz AHNLWXOZLLBAKG-SJORKVTESA-N 1 2 431.541 -0.385 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479918472 1073301982 /nfs/dbraw/zinc/30/19/82/1073301982.db2.gz KMKKHTHMVFZZFD-FQEVSTJZSA-N 1 2 428.599 -0.120 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479918472 1073301978 /nfs/dbraw/zinc/30/19/78/1073301978.db2.gz KMKKHTHMVFZZFD-FQEVSTJZSA-N 1 2 428.599 -0.120 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479918474 1073301915 /nfs/dbraw/zinc/30/19/15/1073301915.db2.gz KMKKHTHMVFZZFD-HXUWFJFHSA-N 1 2 428.599 -0.120 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479918474 1073301903 /nfs/dbraw/zinc/30/19/03/1073301903.db2.gz KMKKHTHMVFZZFD-HXUWFJFHSA-N 1 2 428.599 -0.120 20 0 IBADLO COCCc1noc(CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000479922374 1073300288 /nfs/dbraw/zinc/30/02/88/1073300288.db2.gz KKRZIHPEYYWPEU-INIZCTEOSA-N 1 2 445.524 -0.061 20 0 IBADLO COCCc1noc(CN(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000479922375 1073300071 /nfs/dbraw/zinc/30/00/71/1073300071.db2.gz KKRZIHPEYYWPEU-MRXNPFEDSA-N 1 2 445.524 -0.061 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000479926566 1073301954 /nfs/dbraw/zinc/30/19/54/1073301954.db2.gz PLLAVSSERYKTSB-GOSISDBHSA-N 1 2 432.569 -0.065 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000479926567 1073302020 /nfs/dbraw/zinc/30/20/20/1073302020.db2.gz PLLAVSSERYKTSB-SFHVURJKSA-N 1 2 432.569 -0.065 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000479926676 1073301938 /nfs/dbraw/zinc/30/19/38/1073301938.db2.gz QDEBXOOEGSCYSR-HTAPYJJXSA-N 1 2 428.537 -0.163 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000479927349 1073302077 /nfs/dbraw/zinc/30/20/77/1073302077.db2.gz QDEBXOOEGSCYSR-JTSKRJEESA-N 1 2 428.537 -0.163 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000479927350 1073302547 /nfs/dbraw/zinc/30/25/47/1073302547.db2.gz QDEBXOOEGSCYSR-VGOFRKELSA-N 1 2 428.537 -0.163 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000479927351 1073302274 /nfs/dbraw/zinc/30/22/74/1073302274.db2.gz QDEBXOOEGSCYSR-VGSWGCGISA-N 1 2 428.537 -0.163 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000479928759 1073302344 /nfs/dbraw/zinc/30/23/44/1073302344.db2.gz SJQWTZAXSRPASO-GOSISDBHSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000479928769 1073302322 /nfs/dbraw/zinc/30/23/22/1073302322.db2.gz SJQWTZAXSRPASO-SFHVURJKSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000479931032 1073302511 /nfs/dbraw/zinc/30/25/11/1073302511.db2.gz WTONZMSICYNAOP-INIZCTEOSA-N 1 2 426.525 -0.119 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000479931036 1073302535 /nfs/dbraw/zinc/30/25/35/1073302535.db2.gz WTONZMSICYNAOP-MRXNPFEDSA-N 1 2 426.525 -0.119 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479931547 1073302406 /nfs/dbraw/zinc/30/24/06/1073302406.db2.gz XZYMDIIVNQZBSB-KRWDZBQOSA-N 1 2 432.525 -0.975 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479931548 1073302382 /nfs/dbraw/zinc/30/23/82/1073302382.db2.gz XZYMDIIVNQZBSB-QGZVFWFLSA-N 1 2 432.525 -0.975 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000479945744 1073304312 /nfs/dbraw/zinc/30/43/12/1073304312.db2.gz BWLZPJVGRDGTGT-AWEZNQCLSA-N 1 2 442.442 -0.101 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000479945745 1073304260 /nfs/dbraw/zinc/30/42/60/1073304260.db2.gz BWLZPJVGRDGTGT-CQSZACIVSA-N 1 2 442.442 -0.101 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000479946863 1073304305 /nfs/dbraw/zinc/30/43/05/1073304305.db2.gz GEJSCYMXZSAMHL-HNNXBMFYSA-N 1 2 425.493 -0.481 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000479946876 1073304383 /nfs/dbraw/zinc/30/43/83/1073304383.db2.gz GEJSCYMXZSAMHL-OAHLLOKOSA-N 1 2 425.493 -0.481 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000479949771 1073304698 /nfs/dbraw/zinc/30/46/98/1073304698.db2.gz ODFPQTIYPWLZKW-MOPGFXCFSA-N 1 2 432.569 -0.113 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000479949772 1073304801 /nfs/dbraw/zinc/30/48/01/1073304801.db2.gz ODFPQTIYPWLZKW-OALUTQOASA-N 1 2 432.569 -0.113 20 0 IBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479949773 1073304771 /nfs/dbraw/zinc/30/47/71/1073304771.db2.gz ODFPQTIYPWLZKW-RBUKOAKNSA-N 1 2 432.569 -0.113 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000479949774 1073304715 /nfs/dbraw/zinc/30/47/15/1073304715.db2.gz ODFPQTIYPWLZKW-RTBURBONSA-N 1 2 432.569 -0.113 20 0 IBADLO COCCn1cc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000479950284 1073304238 /nfs/dbraw/zinc/30/42/38/1073304238.db2.gz QOMHRSRVWRGEMI-KRWDZBQOSA-N 1 2 429.525 -0.132 20 0 IBADLO COCCn1cc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000479950285 1073304322 /nfs/dbraw/zinc/30/43/22/1073304322.db2.gz QOMHRSRVWRGEMI-QGZVFWFLSA-N 1 2 429.525 -0.132 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000479952746 1073305141 /nfs/dbraw/zinc/30/51/41/1073305141.db2.gz XBJNACLMUVSZRO-KRWDZBQOSA-N 1 2 445.568 -0.884 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000479952747 1073305099 /nfs/dbraw/zinc/30/50/99/1073305099.db2.gz XBJNACLMUVSZRO-QGZVFWFLSA-N 1 2 445.568 -0.884 20 0 IBADLO CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479952759 1073305114 /nfs/dbraw/zinc/30/51/14/1073305114.db2.gz XCLFGYPCHDPGCO-GOSISDBHSA-N 1 2 443.552 -0.054 20 0 IBADLO CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479952760 1073305182 /nfs/dbraw/zinc/30/51/82/1073305182.db2.gz XCLFGYPCHDPGCO-SFHVURJKSA-N 1 2 443.552 -0.054 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000479956564 1073303782 /nfs/dbraw/zinc/30/37/82/1073303782.db2.gz HDXZWUDPSKZNGY-GOSISDBHSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000479956566 1073303830 /nfs/dbraw/zinc/30/38/30/1073303830.db2.gz HDXZWUDPSKZNGY-SFHVURJKSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000479957194 1073303886 /nfs/dbraw/zinc/30/38/86/1073303886.db2.gz HYFHFSNKDICPOB-MOPGFXCFSA-N 1 2 430.553 -0.359 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000479957195 1073303819 /nfs/dbraw/zinc/30/38/19/1073303819.db2.gz HYFHFSNKDICPOB-OALUTQOASA-N 1 2 430.553 -0.359 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000479957196 1073303867 /nfs/dbraw/zinc/30/38/67/1073303867.db2.gz HYFHFSNKDICPOB-RBUKOAKNSA-N 1 2 430.553 -0.359 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000479957197 1073303844 /nfs/dbraw/zinc/30/38/44/1073303844.db2.gz HYFHFSNKDICPOB-RTBURBONSA-N 1 2 430.553 -0.359 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000479963627 1073306030 /nfs/dbraw/zinc/30/60/30/1073306030.db2.gz MAVFJNXDPAKVTL-GOSISDBHSA-N 1 2 430.553 -0.311 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000479963629 1073306061 /nfs/dbraw/zinc/30/60/61/1073306061.db2.gz MAVFJNXDPAKVTL-SFHVURJKSA-N 1 2 430.553 -0.311 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000479964960 1073305961 /nfs/dbraw/zinc/30/59/61/1073305961.db2.gz NDSRNYXHCSPKCE-GOSISDBHSA-N 1 2 432.569 -0.065 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000479964963 1073306155 /nfs/dbraw/zinc/30/61/55/1073306155.db2.gz NDSRNYXHCSPKCE-SFHVURJKSA-N 1 2 432.569 -0.065 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000479966258 1073306119 /nfs/dbraw/zinc/30/61/19/1073306119.db2.gz NUBHZLRTDOLMDX-FGTMMUONSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000479966260 1073305982 /nfs/dbraw/zinc/30/59/82/1073305982.db2.gz NUBHZLRTDOLMDX-KURKYZTESA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000479966262 1073306134 /nfs/dbraw/zinc/30/61/34/1073306134.db2.gz NUBHZLRTDOLMDX-KZNAEPCWSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000479966264 1073306070 /nfs/dbraw/zinc/30/60/70/1073306070.db2.gz NUBHZLRTDOLMDX-SQNIBIBYSA-N 1 2 428.537 -0.022 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968676 1073306675 /nfs/dbraw/zinc/30/66/75/1073306675.db2.gz PREBAHRXCUGNQI-CEXWTWQISA-N 1 2 449.552 -0.355 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968679 1073306640 /nfs/dbraw/zinc/30/66/40/1073306640.db2.gz PREBAHRXCUGNQI-GBESFXJTSA-N 1 2 449.552 -0.355 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968682 1073306730 /nfs/dbraw/zinc/30/67/30/1073306730.db2.gz PREBAHRXCUGNQI-GUDVDZBRSA-N 1 2 449.552 -0.355 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968684 1073306709 /nfs/dbraw/zinc/30/67/09/1073306709.db2.gz PREBAHRXCUGNQI-IPMKNSEASA-N 1 2 449.552 -0.355 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479968697 1073306698 /nfs/dbraw/zinc/30/66/98/1073306698.db2.gz PSMKREWKSIFVPP-AEFFLSMTSA-N 1 2 432.525 -0.928 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479968706 1073306716 /nfs/dbraw/zinc/30/67/16/1073306716.db2.gz PSMKREWKSIFVPP-FUHWJXTLSA-N 1 2 432.525 -0.928 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479968710 1073306532 /nfs/dbraw/zinc/30/65/32/1073306532.db2.gz PSMKREWKSIFVPP-SJLPKXTDSA-N 1 2 432.525 -0.928 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479968714 1073306582 /nfs/dbraw/zinc/30/65/82/1073306582.db2.gz PSMKREWKSIFVPP-WMZOPIPTSA-N 1 2 432.525 -0.928 20 0 IBADLO O=C(CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000479969210 1073306685 /nfs/dbraw/zinc/30/66/85/1073306685.db2.gz WNAYJAULUSGGLV-GOSISDBHSA-N 1 2 449.577 -0.158 20 0 IBADLO O=C(CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000479969211 1073306549 /nfs/dbraw/zinc/30/65/49/1073306549.db2.gz WNAYJAULUSGGLV-SFHVURJKSA-N 1 2 449.577 -0.158 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000479971522 1073307154 /nfs/dbraw/zinc/30/71/54/1073307154.db2.gz SVZUVPPTFMHCCG-GOSISDBHSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000479971523 1073307182 /nfs/dbraw/zinc/30/71/82/1073307182.db2.gz SVZUVPPTFMHCCG-SFHVURJKSA-N 1 2 438.536 -0.153 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000479971941 1073306620 /nfs/dbraw/zinc/30/66/20/1073306620.db2.gz UTSFCAXTBVUFOT-GOSISDBHSA-N 1 2 440.552 -0.224 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000479971942 1073306567 /nfs/dbraw/zinc/30/65/67/1073306567.db2.gz UTSFCAXTBVUFOT-SFHVURJKSA-N 1 2 440.552 -0.224 20 0 IBADLO CCOCCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479972830 1073306956 /nfs/dbraw/zinc/30/69/56/1073306956.db2.gz WLCOPLTYLUMXKF-IBGZPJMESA-N 1 2 432.569 -0.111 20 0 IBADLO CCOCCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479972831 1073306991 /nfs/dbraw/zinc/30/69/91/1073306991.db2.gz WLCOPLTYLUMXKF-LJQANCHMSA-N 1 2 432.569 -0.111 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000479972892 1073307055 /nfs/dbraw/zinc/30/70/55/1073307055.db2.gz WXXXFMKVBIKZAP-AEFFLSMTSA-N 1 2 443.552 -0.229 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000479972893 1073307104 /nfs/dbraw/zinc/30/71/04/1073307104.db2.gz WXXXFMKVBIKZAP-FUHWJXTLSA-N 1 2 443.552 -0.229 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000479972894 1073307010 /nfs/dbraw/zinc/30/70/10/1073307010.db2.gz WXXXFMKVBIKZAP-SJLPKXTDSA-N 1 2 443.552 -0.229 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000479972895 1073307044 /nfs/dbraw/zinc/30/70/44/1073307044.db2.gz WXXXFMKVBIKZAP-WMZOPIPTSA-N 1 2 443.552 -0.229 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479973108 1073306976 /nfs/dbraw/zinc/30/69/76/1073306976.db2.gz XNTAYKNVVNMZFO-GOSISDBHSA-N 1 2 446.552 -0.584 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479973109 1073307076 /nfs/dbraw/zinc/30/70/76/1073307076.db2.gz XNTAYKNVVNMZFO-SFHVURJKSA-N 1 2 446.552 -0.584 20 0 IBADLO CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCOCC1 ZINC000479989809 1073307942 /nfs/dbraw/zinc/30/79/42/1073307942.db2.gz TXHXGAYRZVIODP-MSOLQXFVSA-N 1 2 446.552 -0.538 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCOCC1 ZINC000479989846 1073308013 /nfs/dbraw/zinc/30/80/13/1073308013.db2.gz TXHXGAYRZVIODP-QZTJIDSGSA-N 1 2 446.552 -0.538 20 0 IBADLO CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCOCC1 ZINC000479989853 1073308064 /nfs/dbraw/zinc/30/80/64/1073308064.db2.gz TXHXGAYRZVIODP-ROUUACIJSA-N 1 2 446.552 -0.538 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCOCC1 ZINC000479989859 1073308095 /nfs/dbraw/zinc/30/80/95/1073308095.db2.gz TXHXGAYRZVIODP-ZWKOTPCHSA-N 1 2 446.552 -0.538 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000480015382 1073310356 /nfs/dbraw/zinc/31/03/56/1073310356.db2.gz IBYDJEVIQVWKCZ-AWEZNQCLSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000480015403 1073310388 /nfs/dbraw/zinc/31/03/88/1073310388.db2.gz IBYDJEVIQVWKCZ-CQSZACIVSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000480024573 1073311759 /nfs/dbraw/zinc/31/17/59/1073311759.db2.gz KJXUBNVSALGRLT-GOSISDBHSA-N 1 2 440.552 -0.209 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000480024574 1073311878 /nfs/dbraw/zinc/31/18/78/1073311878.db2.gz KJXUBNVSALGRLT-SFHVURJKSA-N 1 2 440.552 -0.209 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000480024963 1073311239 /nfs/dbraw/zinc/31/12/39/1073311239.db2.gz LDJBPTYZUQIKDS-FGTMMUONSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000480024964 1073311839 /nfs/dbraw/zinc/31/18/39/1073311839.db2.gz LDJBPTYZUQIKDS-KURKYZTESA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000480024965 1073311894 /nfs/dbraw/zinc/31/18/94/1073311894.db2.gz LDJBPTYZUQIKDS-KZNAEPCWSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000480024966 1073311643 /nfs/dbraw/zinc/31/16/43/1073311643.db2.gz LDJBPTYZUQIKDS-SQNIBIBYSA-N 1 2 428.537 -0.022 20 0 IBADLO CNS(=O)(=O)c1ccccc1N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480038683 1073312829 /nfs/dbraw/zinc/31/28/29/1073312829.db2.gz BTVNNDMEAOLDSZ-UHFFFAOYSA-N 1 2 445.549 -0.010 20 0 IBADLO CNS(=O)(=O)c1ccccc1N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000480038683 1073312823 /nfs/dbraw/zinc/31/28/23/1073312823.db2.gz BTVNNDMEAOLDSZ-UHFFFAOYSA-N 1 2 445.549 -0.010 20 0 IBADLO Cc1nc(N[C@H]2CCCN(S(C)(=O)=O)C2)nc(N[C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000480040092 1073312848 /nfs/dbraw/zinc/31/28/48/1073312848.db2.gz VWDUGJMOUWSVAF-KBPBESRZSA-N 1 2 447.587 -0.148 20 0 IBADLO Cc1nc(N[C@H]2CCCN(S(C)(=O)=O)C2)nc(N[C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000480040094 1073312765 /nfs/dbraw/zinc/31/27/65/1073312765.db2.gz VWDUGJMOUWSVAF-OKILXGFUSA-N 1 2 447.587 -0.148 20 0 IBADLO Cc1nc(N[C@@H]2CCCN(S(C)(=O)=O)C2)nc(N[C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000480040094 1073312755 /nfs/dbraw/zinc/31/27/55/1073312755.db2.gz VWDUGJMOUWSVAF-OKILXGFUSA-N 1 2 447.587 -0.148 20 0 IBADLO Cc1nc(N[C@@H]2CCCN(S(C)(=O)=O)C2)nc(N[C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000480040095 1073312804 /nfs/dbraw/zinc/31/28/04/1073312804.db2.gz VWDUGJMOUWSVAF-ZIAGYGMSSA-N 1 2 447.587 -0.148 20 0 IBADLO CN1CCN(c2cc(NCCC(=O)N3CCN(c4ncccn4)CC3)nc[nH+]2)CC1=O ZINC000480050572 1073313806 /nfs/dbraw/zinc/31/38/06/1073313806.db2.gz WVMJAQMJVIBOHK-UHFFFAOYSA-N 1 2 425.497 -0.304 20 0 IBADLO CN1CCN(c2cc(NCCC(=O)N3CCN(c4ncccn4)CC3)[nH+]cn2)CC1=O ZINC000480050572 1073313804 /nfs/dbraw/zinc/31/38/04/1073313804.db2.gz WVMJAQMJVIBOHK-UHFFFAOYSA-N 1 2 425.497 -0.304 20 0 IBADLO COc1c(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)nn1C ZINC000480066246 1073314308 /nfs/dbraw/zinc/31/43/08/1073314308.db2.gz ICRZPFLIUHCDBT-UHFFFAOYSA-N 1 2 443.508 -0.397 20 0 IBADLO CN1CCN(c2cc(N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)nc[nH+]2)CC1=O ZINC000480103439 1073316040 /nfs/dbraw/zinc/31/60/40/1073316040.db2.gz CDDOPBGZTCKZCU-UHFFFAOYSA-N 1 2 431.522 -0.271 20 0 IBADLO CN1CCN(c2cc(N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)[nH+]cn2)CC1=O ZINC000480103439 1073316037 /nfs/dbraw/zinc/31/60/37/1073316037.db2.gz CDDOPBGZTCKZCU-UHFFFAOYSA-N 1 2 431.522 -0.271 20 0 IBADLO CN1CCN(c2cc(NC3CCN(S(=O)(=O)N4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000480122588 1073316884 /nfs/dbraw/zinc/31/68/84/1073316884.db2.gz UABXHGLEUCWIPE-UHFFFAOYSA-N 1 2 439.542 -0.792 20 0 IBADLO CN1CCN(c2cc(NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[nH+]cn2)CC1=O ZINC000480122588 1073316880 /nfs/dbraw/zinc/31/68/80/1073316880.db2.gz UABXHGLEUCWIPE-UHFFFAOYSA-N 1 2 439.542 -0.792 20 0 IBADLO COc1c(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C)nn1C ZINC000480126747 1073317100 /nfs/dbraw/zinc/31/71/00/1073317100.db2.gz NBRGQMRWSYKMJW-UHFFFAOYSA-N 1 2 427.469 -0.621 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(Nc3cc(N4CCN(C)C(=O)C4)[nH+]cn3)CC2)cn1 ZINC000480133089 1073317228 /nfs/dbraw/zinc/31/72/28/1073317228.db2.gz HWJDAFWCFTZNEB-UHFFFAOYSA-N 1 2 434.526 -0.246 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(Nc3cc(N4CCN(C)C(=O)C4)nc[nH+]3)CC2)cn1 ZINC000480133089 1073317222 /nfs/dbraw/zinc/31/72/22/1073317222.db2.gz HWJDAFWCFTZNEB-UHFFFAOYSA-N 1 2 434.526 -0.246 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000480134779 1073316744 /nfs/dbraw/zinc/31/67/44/1073316744.db2.gz HHDJUUQBBXGUJE-UHFFFAOYSA-N 1 2 434.522 -0.020 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000480134779 1073316738 /nfs/dbraw/zinc/31/67/38/1073316738.db2.gz HHDJUUQBBXGUJE-UHFFFAOYSA-N 1 2 434.522 -0.020 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480146735 1073317698 /nfs/dbraw/zinc/31/76/98/1073317698.db2.gz WFOJUBLNFPUXPJ-UHFFFAOYSA-N 1 2 426.543 -0.368 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000480146735 1073317688 /nfs/dbraw/zinc/31/76/88/1073317688.db2.gz WFOJUBLNFPUXPJ-UHFFFAOYSA-N 1 2 426.543 -0.368 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@@H]1c1c[nH+]cn1C ZINC000480175281 1073320147 /nfs/dbraw/zinc/32/01/47/1073320147.db2.gz CIQFFGQBLSWSFW-CRAIPNDOSA-N 1 2 440.570 -0.458 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480287765 1073325065 /nfs/dbraw/zinc/32/50/65/1073325065.db2.gz COOKQIBHGNIQKE-UHFFFAOYSA-N 1 2 437.507 -0.327 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000480299286 1073325909 /nfs/dbraw/zinc/32/59/09/1073325909.db2.gz BZDCPZOSJHXFFO-UHFFFAOYSA-N 1 2 431.541 -0.424 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000480299286 1073325901 /nfs/dbraw/zinc/32/59/01/1073325901.db2.gz BZDCPZOSJHXFFO-UHFFFAOYSA-N 1 2 431.541 -0.424 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)CC2)cn1C ZINC000480414861 1073328586 /nfs/dbraw/zinc/32/85/86/1073328586.db2.gz VOEQZBCZYZNMET-UHFFFAOYSA-N 1 2 434.526 -0.692 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)C(=O)C4)nc[nH+]3)CC2)cn1C ZINC000480414861 1073328576 /nfs/dbraw/zinc/32/85/76/1073328576.db2.gz VOEQZBCZYZNMET-UHFFFAOYSA-N 1 2 434.526 -0.692 20 0 IBADLO Cc1cc2c(cc1S(=O)(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)OCO2 ZINC000480453729 1073329331 /nfs/dbraw/zinc/32/93/31/1073329331.db2.gz FULDYZAGZGVYSP-UHFFFAOYSA-N 1 2 446.551 -0.478 20 0 IBADLO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000480454266 1073329612 /nfs/dbraw/zinc/32/96/12/1073329612.db2.gz HHWDPDWLJKQZAY-UHFFFAOYSA-N 1 2 440.551 -0.234 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000480459041 1073331703 /nfs/dbraw/zinc/33/17/03/1073331703.db2.gz JVNLXTSTACBJBR-UHFFFAOYSA-N 1 2 449.577 -0.455 20 0 IBADLO C[C@](O)(CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000480477371 1073333832 /nfs/dbraw/zinc/33/38/32/1073333832.db2.gz QNNYJPHWKXIZKI-KRWDZBQOSA-N 1 2 433.552 -0.418 20 0 IBADLO C[C@@](O)(CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000480477380 1073333789 /nfs/dbraw/zinc/33/37/89/1073333789.db2.gz QNNYJPHWKXIZKI-QGZVFWFLSA-N 1 2 433.552 -0.418 20 0 IBADLO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000480479157 1073332128 /nfs/dbraw/zinc/33/21/28/1073332128.db2.gz GONXJRDKSNQIDG-INIZCTEOSA-N 1 2 438.554 -0.458 20 0 IBADLO NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000480479158 1073332202 /nfs/dbraw/zinc/33/22/02/1073332202.db2.gz GONXJRDKSNQIDG-MRXNPFEDSA-N 1 2 438.554 -0.458 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000480484516 1073332918 /nfs/dbraw/zinc/33/29/18/1073332918.db2.gz PWPXUMCGAPHZMJ-UHFFFAOYSA-N 1 2 437.566 -0.597 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480485426 1073333131 /nfs/dbraw/zinc/33/31/31/1073333131.db2.gz CKUTWYDWSBHXMY-UHFFFAOYSA-N 1 2 438.616 -0.432 20 0 IBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480485731 1073332873 /nfs/dbraw/zinc/33/28/73/1073332873.db2.gz DYYXZFVLIBBBEF-UHFFFAOYSA-N 1 2 442.520 -0.540 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)co1 ZINC000480592569 1073341859 /nfs/dbraw/zinc/34/18/59/1073341859.db2.gz ARNFKYLIHLUHES-UHFFFAOYSA-N 1 2 443.507 -0.796 20 0 IBADLO CC(C)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000480622542 1073343044 /nfs/dbraw/zinc/34/30/44/1073343044.db2.gz YZGUAYSTEFOYLN-GOSISDBHSA-N 1 2 442.586 -0.151 20 0 IBADLO CC(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000480622545 1073343174 /nfs/dbraw/zinc/34/31/74/1073343174.db2.gz YZGUAYSTEFOYLN-SFHVURJKSA-N 1 2 442.586 -0.151 20 0 IBADLO Cn1nncc1S(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000480642027 1073343093 /nfs/dbraw/zinc/34/30/93/1073343093.db2.gz ZZXQRJHKNOXRAM-INIZCTEOSA-N 1 2 432.506 -0.115 20 0 IBADLO Cn1nncc1S(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000480642028 1073343157 /nfs/dbraw/zinc/34/31/57/1073343157.db2.gz ZZXQRJHKNOXRAM-MRXNPFEDSA-N 1 2 432.506 -0.115 20 0 IBADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000480651341 1073343668 /nfs/dbraw/zinc/34/36/68/1073343668.db2.gz TZUIZLXVNRMHRH-UHFFFAOYSA-N 1 2 443.526 -0.495 20 0 IBADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000480651341 1073343658 /nfs/dbraw/zinc/34/36/58/1073343658.db2.gz TZUIZLXVNRMHRH-UHFFFAOYSA-N 1 2 443.526 -0.495 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1C ZINC000480659186 1073344477 /nfs/dbraw/zinc/34/44/77/1073344477.db2.gz CQRCEMINXVOLPC-UHFFFAOYSA-N 1 2 432.568 -0.266 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480762019 1073348895 /nfs/dbraw/zinc/34/88/95/1073348895.db2.gz UDDRIXLSAOXYAU-AWEZNQCLSA-N 1 2 425.573 -0.443 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480762021 1073348978 /nfs/dbraw/zinc/34/89/78/1073348978.db2.gz UDDRIXLSAOXYAU-CQSZACIVSA-N 1 2 425.573 -0.443 20 0 IBADLO O=C(CNC(=O)c1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480812600 1073350680 /nfs/dbraw/zinc/35/06/80/1073350680.db2.gz QAAPWDXIPRMSAX-UHFFFAOYSA-N 1 2 432.506 -0.525 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000480815359 1073350822 /nfs/dbraw/zinc/35/08/22/1073350822.db2.gz GEGOMGHARGTCPC-UHFFFAOYSA-N 1 2 432.568 -0.312 20 0 IBADLO C[C@]1(c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000480849503 1073352072 /nfs/dbraw/zinc/35/20/72/1073352072.db2.gz VIGPUQPXNWGCJO-HRAATJIYSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@@]1(c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000480849509 1073352188 /nfs/dbraw/zinc/35/21/88/1073352188.db2.gz VIGPUQPXNWGCJO-IERDGZPVSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@]1(c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000480849513 1073352038 /nfs/dbraw/zinc/35/20/38/1073352038.db2.gz VIGPUQPXNWGCJO-IIBYNOLFSA-N 1 2 429.477 -0.596 20 0 IBADLO C[C@@]1(c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000480849516 1073352145 /nfs/dbraw/zinc/35/21/45/1073352145.db2.gz VIGPUQPXNWGCJO-KKSFZXQISA-N 1 2 429.477 -0.596 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1C ZINC000480924787 1073355774 /nfs/dbraw/zinc/35/57/74/1073355774.db2.gz GKDAEOZKQSGQRP-UHFFFAOYSA-N 1 2 447.579 -0.249 20 0 IBADLO CCN(Cc1ccccc1)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000480933987 1073355703 /nfs/dbraw/zinc/35/57/03/1073355703.db2.gz NOQCWHPZRHLXQT-UHFFFAOYSA-N 1 2 445.611 -0.137 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000481023547 1073357599 /nfs/dbraw/zinc/35/75/99/1073357599.db2.gz MIFNSMSLFHJZEK-CVEARBPZSA-N 1 2 436.538 -0.404 20 0 IBADLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000481067118 1073358689 /nfs/dbraw/zinc/35/86/89/1073358689.db2.gz FAHROTLWUSYBOP-INIZCTEOSA-N 1 2 446.595 -0.460 20 0 IBADLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000481067118 1073358681 /nfs/dbraw/zinc/35/86/81/1073358681.db2.gz FAHROTLWUSYBOP-INIZCTEOSA-N 1 2 446.595 -0.460 20 0 IBADLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000481067125 1073358568 /nfs/dbraw/zinc/35/85/68/1073358568.db2.gz FAHROTLWUSYBOP-MRXNPFEDSA-N 1 2 446.595 -0.460 20 0 IBADLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000481067125 1073358561 /nfs/dbraw/zinc/35/85/61/1073358561.db2.gz FAHROTLWUSYBOP-MRXNPFEDSA-N 1 2 446.595 -0.460 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000481068573 1073358706 /nfs/dbraw/zinc/35/87/06/1073358706.db2.gz IOJJLISOPIXPBF-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O ZINC000481082809 1073359060 /nfs/dbraw/zinc/35/90/60/1073359060.db2.gz RZUUBLJKONTZJM-UHFFFAOYSA-N 1 2 441.941 -0.162 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000481133770 1073359971 /nfs/dbraw/zinc/35/99/71/1073359971.db2.gz AHMOSJXHLYQYHD-DLBZAZTESA-N 1 2 432.525 -0.305 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000481133771 1073360044 /nfs/dbraw/zinc/36/00/44/1073360044.db2.gz AHMOSJXHLYQYHD-IAGOWNOFSA-N 1 2 432.525 -0.305 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000481133772 1073359928 /nfs/dbraw/zinc/35/99/28/1073359928.db2.gz AHMOSJXHLYQYHD-IRXDYDNUSA-N 1 2 432.525 -0.305 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000481133773 1073360123 /nfs/dbraw/zinc/36/01/23/1073360123.db2.gz AHMOSJXHLYQYHD-SJORKVTESA-N 1 2 432.525 -0.305 20 0 IBADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000481228556 1073363343 /nfs/dbraw/zinc/36/33/43/1073363343.db2.gz QMYYWRVFLGTFKS-UHFFFAOYSA-N 1 2 442.451 -0.423 20 0 IBADLO COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000481249905 1073364428 /nfs/dbraw/zinc/36/44/28/1073364428.db2.gz BIKPQUZDNOLGOB-GDBMZVCRSA-N 1 2 431.497 -0.336 20 0 IBADLO COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000481249909 1073364364 /nfs/dbraw/zinc/36/43/64/1073364364.db2.gz BIKPQUZDNOLGOB-GOEBONIOSA-N 1 2 431.497 -0.336 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000481249912 1073364510 /nfs/dbraw/zinc/36/45/10/1073364510.db2.gz BIKPQUZDNOLGOB-HOCLYGCPSA-N 1 2 431.497 -0.336 20 0 IBADLO COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000481249916 1073364297 /nfs/dbraw/zinc/36/42/97/1073364297.db2.gz BIKPQUZDNOLGOB-ZBFHGGJFSA-N 1 2 431.497 -0.336 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000481277946 1073365226 /nfs/dbraw/zinc/36/52/26/1073365226.db2.gz FVAMSZXWJLGBRF-MSOLQXFVSA-N 1 2 448.545 -0.535 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000481277949 1073365193 /nfs/dbraw/zinc/36/51/93/1073365193.db2.gz FVAMSZXWJLGBRF-QZTJIDSGSA-N 1 2 448.545 -0.535 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000481277951 1073365107 /nfs/dbraw/zinc/36/51/07/1073365107.db2.gz FVAMSZXWJLGBRF-ROUUACIJSA-N 1 2 448.545 -0.535 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000481277954 1073365086 /nfs/dbraw/zinc/36/50/86/1073365086.db2.gz FVAMSZXWJLGBRF-ZWKOTPCHSA-N 1 2 448.545 -0.535 20 0 IBADLO Cc1cc(N2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000481451422 1073371407 /nfs/dbraw/zinc/37/14/07/1073371407.db2.gz RXDQAFOIHCQXFB-UHFFFAOYSA-N 1 2 446.599 -0.148 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000481462621 1073371956 /nfs/dbraw/zinc/37/19/56/1073371956.db2.gz CPQUDEOEFLDBOS-UHFFFAOYSA-N 1 2 432.568 -0.570 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)C[C@H](C)O1 ZINC000481473207 1073372765 /nfs/dbraw/zinc/37/27/65/1073372765.db2.gz OQSKVJWYHVMGKY-CALCHBBNSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)C[C@H](C)O1 ZINC000481473207 1073372753 /nfs/dbraw/zinc/37/27/53/1073372753.db2.gz OQSKVJWYHVMGKY-CALCHBBNSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)C[C@@H](C)O1 ZINC000481473208 1073372606 /nfs/dbraw/zinc/37/26/06/1073372606.db2.gz OQSKVJWYHVMGKY-IAGOWNOFSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)C[C@@H](C)O1 ZINC000481473208 1073372596 /nfs/dbraw/zinc/37/25/96/1073372596.db2.gz OQSKVJWYHVMGKY-IAGOWNOFSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)C[C@H](C)O1 ZINC000481473209 1073372801 /nfs/dbraw/zinc/37/28/01/1073372801.db2.gz OQSKVJWYHVMGKY-IRXDYDNUSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)C[C@H](C)O1 ZINC000481473209 1073372789 /nfs/dbraw/zinc/37/27/89/1073372789.db2.gz OQSKVJWYHVMGKY-IRXDYDNUSA-N 1 2 447.602 -0.222 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481520562 1073375704 /nfs/dbraw/zinc/37/57/04/1073375704.db2.gz QXLVDLXVBKAWAY-INIZCTEOSA-N 1 2 430.509 -0.636 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481520573 1073375993 /nfs/dbraw/zinc/37/59/93/1073375993.db2.gz QXLVDLXVBKAWAY-MRXNPFEDSA-N 1 2 430.509 -0.636 20 0 IBADLO CS(=O)(=O)CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000481535087 1073376635 /nfs/dbraw/zinc/37/66/35/1073376635.db2.gz PKCBGFUUCDAICP-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO CS(=O)(=O)CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000481535087 1073376626 /nfs/dbraw/zinc/37/66/26/1073376626.db2.gz PKCBGFUUCDAICP-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)no1 ZINC000481567159 1073379585 /nfs/dbraw/zinc/37/95/85/1073379585.db2.gz AZUJZAPOCFKQCU-CYBMUJFWSA-N 1 2 426.499 -0.549 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)no1 ZINC000481567159 1073379580 /nfs/dbraw/zinc/37/95/80/1073379580.db2.gz AZUJZAPOCFKQCU-CYBMUJFWSA-N 1 2 426.499 -0.549 20 0 IBADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)no1 ZINC000481567166 1073379530 /nfs/dbraw/zinc/37/95/30/1073379530.db2.gz AZUJZAPOCFKQCU-ZDUSSCGKSA-N 1 2 426.499 -0.549 20 0 IBADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)no1 ZINC000481567166 1073379520 /nfs/dbraw/zinc/37/95/20/1073379520.db2.gz AZUJZAPOCFKQCU-ZDUSSCGKSA-N 1 2 426.499 -0.549 20 0 IBADLO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000481635169 1073382984 /nfs/dbraw/zinc/38/29/84/1073382984.db2.gz SWQHSIYIDVBBOC-INIZCTEOSA-N 1 2 442.538 -0.255 20 0 IBADLO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000481635170 1073383175 /nfs/dbraw/zinc/38/31/75/1073383175.db2.gz SWQHSIYIDVBBOC-MRXNPFEDSA-N 1 2 442.538 -0.255 20 0 IBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481745708 1073391795 /nfs/dbraw/zinc/39/17/95/1073391795.db2.gz UMEONGOORYHBHB-HNNXBMFYSA-N 1 2 447.583 -0.392 20 0 IBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481745712 1073391508 /nfs/dbraw/zinc/39/15/08/1073391508.db2.gz UMEONGOORYHBHB-OAHLLOKOSA-N 1 2 447.583 -0.392 20 0 IBADLO CC(=O)N1CCN(C(=O)CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000481751310 1073392725 /nfs/dbraw/zinc/39/27/25/1073392725.db2.gz AFFFZIQGWNHODT-UHFFFAOYSA-N 1 2 444.536 -0.293 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]c1=O ZINC000481764835 1073394459 /nfs/dbraw/zinc/39/44/59/1073394459.db2.gz IBBFCUMFGJFXLY-GFCCVEGCSA-N 1 2 432.485 -0.592 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]c1=O ZINC000481764835 1073394452 /nfs/dbraw/zinc/39/44/52/1073394452.db2.gz IBBFCUMFGJFXLY-GFCCVEGCSA-N 1 2 432.485 -0.592 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]c1=O ZINC000481764836 1073394526 /nfs/dbraw/zinc/39/45/26/1073394526.db2.gz IBBFCUMFGJFXLY-LBPRGKRZSA-N 1 2 432.485 -0.592 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]c1=O ZINC000481764836 1073394517 /nfs/dbraw/zinc/39/45/17/1073394517.db2.gz IBBFCUMFGJFXLY-LBPRGKRZSA-N 1 2 432.485 -0.592 20 0 IBADLO COC(=O)CN(CCN1CCOCC1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481790809 1073396197 /nfs/dbraw/zinc/39/61/97/1073396197.db2.gz BUWBRACQMAIJTJ-UHFFFAOYSA-N 1 2 447.536 -0.156 20 0 IBADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000481839385 1073400746 /nfs/dbraw/zinc/40/07/46/1073400746.db2.gz JTEXCTLPEISONN-KRWDZBQOSA-N 1 2 445.611 -0.391 20 0 IBADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000481839386 1073400877 /nfs/dbraw/zinc/40/08/77/1073400877.db2.gz JTEXCTLPEISONN-QGZVFWFLSA-N 1 2 445.611 -0.391 20 0 IBADLO COCCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000481974165 1073408362 /nfs/dbraw/zinc/40/83/62/1073408362.db2.gz MVUANHBSSCUMPE-DLBZAZTESA-N 1 2 431.555 -0.781 20 0 IBADLO COCCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000481974169 1073408206 /nfs/dbraw/zinc/40/82/06/1073408206.db2.gz MVUANHBSSCUMPE-IAGOWNOFSA-N 1 2 431.555 -0.781 20 0 IBADLO COCCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000481974170 1073408243 /nfs/dbraw/zinc/40/82/43/1073408243.db2.gz MVUANHBSSCUMPE-IRXDYDNUSA-N 1 2 431.555 -0.781 20 0 IBADLO COCCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000481974172 1073408253 /nfs/dbraw/zinc/40/82/53/1073408253.db2.gz MVUANHBSSCUMPE-SJORKVTESA-N 1 2 431.555 -0.781 20 0 IBADLO O=C(CCC(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000482092462 1073411011 /nfs/dbraw/zinc/41/10/11/1073411011.db2.gz GSBNFDBWKXEARK-UHFFFAOYSA-N 1 2 427.513 -0.659 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cn1C ZINC000482094626 1073410928 /nfs/dbraw/zinc/41/09/28/1073410928.db2.gz KKBFEIPYSWXXKD-UHFFFAOYSA-N 1 2 428.559 -0.145 20 0 IBADLO O=C(CCC(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000482098248 1073411031 /nfs/dbraw/zinc/41/10/31/1073411031.db2.gz VNUQTVSEYPOJCO-UHFFFAOYSA-N 1 2 426.525 -0.054 20 0 IBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(=O)NCCN1CCOCC1 ZINC000482182063 1073412454 /nfs/dbraw/zinc/41/24/54/1073412454.db2.gz RYCBAGRSLMFNRZ-UHFFFAOYSA-N 1 2 432.525 -0.925 20 0 IBADLO COCc1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(N)n1 ZINC000482188775 1073357675 /nfs/dbraw/zinc/35/76/75/1073357675.db2.gz SCIGRWTWQROZGA-UHFFFAOYSA-N 1 2 435.510 -0.518 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCS1(=O)=O ZINC000482323223 1073415244 /nfs/dbraw/zinc/41/52/44/1073415244.db2.gz JNNMRKVIRLXDAK-HNNXBMFYSA-N 1 2 445.567 -0.590 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCS1(=O)=O ZINC000482323226 1073415970 /nfs/dbraw/zinc/41/59/70/1073415970.db2.gz JNNMRKVIRLXDAK-OAHLLOKOSA-N 1 2 445.567 -0.590 20 0 IBADLO C[C@@H](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[S@@](C)=O ZINC000482327477 1073416199 /nfs/dbraw/zinc/41/61/99/1073416199.db2.gz PNHQLEJOMCWYNR-KUNJGFBQSA-N 1 2 431.584 -0.010 20 0 IBADLO C[C@@H](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[S@](C)=O ZINC000482327479 1073416051 /nfs/dbraw/zinc/41/60/51/1073416051.db2.gz PNHQLEJOMCWYNR-QZXCRCNTSA-N 1 2 431.584 -0.010 20 0 IBADLO C[C@H](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[S@](C)=O ZINC000482327482 1073416025 /nfs/dbraw/zinc/41/60/25/1073416025.db2.gz PNHQLEJOMCWYNR-RXAIFQJESA-N 1 2 431.584 -0.010 20 0 IBADLO C[C@H](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[S@@](C)=O ZINC000482327485 1073416038 /nfs/dbraw/zinc/41/60/38/1073416038.db2.gz PNHQLEJOMCWYNR-YVORESIASA-N 1 2 431.584 -0.010 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1=O ZINC000482507198 1073418282 /nfs/dbraw/zinc/41/82/82/1073418282.db2.gz KCTZZOIYYGLQRJ-UHFFFAOYSA-N 1 2 439.520 -0.047 20 0 IBADLO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000482508841 1073418364 /nfs/dbraw/zinc/41/83/64/1073418364.db2.gz SLTAVDQVQTWEMQ-UHFFFAOYSA-N 1 2 427.556 -0.233 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)o1 ZINC000482572498 1073419632 /nfs/dbraw/zinc/41/96/32/1073419632.db2.gz FUZFUGJSQVJETP-HNNXBMFYSA-N 1 2 440.522 -0.145 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)o1 ZINC000482572498 1073419627 /nfs/dbraw/zinc/41/96/27/1073419627.db2.gz FUZFUGJSQVJETP-HNNXBMFYSA-N 1 2 440.522 -0.145 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)o1 ZINC000482572500 1073419529 /nfs/dbraw/zinc/41/95/29/1073419529.db2.gz FUZFUGJSQVJETP-OAHLLOKOSA-N 1 2 440.522 -0.145 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)o1 ZINC000482572500 1073419523 /nfs/dbraw/zinc/41/95/23/1073419523.db2.gz FUZFUGJSQVJETP-OAHLLOKOSA-N 1 2 440.522 -0.145 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)o1 ZINC000482576109 1073419613 /nfs/dbraw/zinc/41/96/13/1073419613.db2.gz MFFRKPVGWHMOTM-HNNXBMFYSA-N 1 2 440.522 -0.288 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)o1 ZINC000482576109 1073419610 /nfs/dbraw/zinc/41/96/10/1073419610.db2.gz MFFRKPVGWHMOTM-HNNXBMFYSA-N 1 2 440.522 -0.288 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)o1 ZINC000482576117 1073419476 /nfs/dbraw/zinc/41/94/76/1073419476.db2.gz MFFRKPVGWHMOTM-OAHLLOKOSA-N 1 2 440.522 -0.288 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)o1 ZINC000482576117 1073419467 /nfs/dbraw/zinc/41/94/67/1073419467.db2.gz MFFRKPVGWHMOTM-OAHLLOKOSA-N 1 2 440.522 -0.288 20 0 IBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482576973 1073419596 /nfs/dbraw/zinc/41/95/96/1073419596.db2.gz LXRORFNYCCDUHV-HNNXBMFYSA-N 1 2 426.543 -0.140 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482576975 1073419504 /nfs/dbraw/zinc/41/95/04/1073419504.db2.gz LXRORFNYCCDUHV-OAHLLOKOSA-N 1 2 426.543 -0.140 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)cn1C ZINC000482586562 1073420371 /nfs/dbraw/zinc/42/03/71/1073420371.db2.gz YXZITGGJSHOLCY-UHFFFAOYSA-N 1 2 428.559 -0.145 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)cn1C ZINC000482586562 1073420367 /nfs/dbraw/zinc/42/03/67/1073420367.db2.gz YXZITGGJSHOLCY-UHFFFAOYSA-N 1 2 428.559 -0.145 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482590411 1073420826 /nfs/dbraw/zinc/42/08/26/1073420826.db2.gz WXKPRFVELKCKLC-HNNXBMFYSA-N 1 2 443.526 -0.741 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482590412 1073420953 /nfs/dbraw/zinc/42/09/53/1073420953.db2.gz WXKPRFVELKCKLC-OAHLLOKOSA-N 1 2 443.526 -0.741 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)cn1C ZINC000482595341 1073421612 /nfs/dbraw/zinc/42/16/12/1073421612.db2.gz ZIKZMNFVWMUQBC-UHFFFAOYSA-N 1 2 428.559 -0.145 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)cn1C ZINC000482595341 1073421608 /nfs/dbraw/zinc/42/16/08/1073421608.db2.gz ZIKZMNFVWMUQBC-UHFFFAOYSA-N 1 2 428.559 -0.145 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)cn1C ZINC000482595601 1073421067 /nfs/dbraw/zinc/42/10/67/1073421067.db2.gz VHUOKPFBLAELHW-HNNXBMFYSA-N 1 2 427.575 -0.620 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)cn1C ZINC000482595618 1073421088 /nfs/dbraw/zinc/42/10/88/1073421088.db2.gz VHUOKPFBLAELHW-OAHLLOKOSA-N 1 2 427.575 -0.620 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)CC2)cn1C ZINC000482614314 1073422521 /nfs/dbraw/zinc/42/25/21/1073422521.db2.gz NQPNFRCVEKOILW-CABCVRRESA-N 1 2 428.559 -0.146 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)CC2)cn1C ZINC000482614315 1073422463 /nfs/dbraw/zinc/42/24/63/1073422463.db2.gz NQPNFRCVEKOILW-GJZGRUSLSA-N 1 2 428.559 -0.146 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)cn1C ZINC000482614316 1073422513 /nfs/dbraw/zinc/42/25/13/1073422513.db2.gz NQPNFRCVEKOILW-HUUCEWRRSA-N 1 2 428.559 -0.146 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)cn1C ZINC000482614317 1073422488 /nfs/dbraw/zinc/42/24/88/1073422488.db2.gz NQPNFRCVEKOILW-LSDHHAIUSA-N 1 2 428.559 -0.146 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000482702913 1073425904 /nfs/dbraw/zinc/42/59/04/1073425904.db2.gz DKMMYXFBDQCASP-HNNXBMFYSA-N 1 2 426.539 -0.047 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000482702916 1073425802 /nfs/dbraw/zinc/42/58/02/1073425802.db2.gz DKMMYXFBDQCASP-OAHLLOKOSA-N 1 2 426.539 -0.047 20 0 IBADLO CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000482720255 1073426742 /nfs/dbraw/zinc/42/67/42/1073426742.db2.gz CUQWTUFTOXIFIK-UHFFFAOYSA-N 1 2 437.566 -0.087 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCc2n[nH]c(=O)cc2C1 ZINC000482761311 1073428137 /nfs/dbraw/zinc/42/81/37/1073428137.db2.gz PSTDNSKZAFUPDV-UHFFFAOYSA-N 1 2 447.521 -0.203 20 0 IBADLO Cn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000482784356 1073428854 /nfs/dbraw/zinc/42/88/54/1073428854.db2.gz AVRCASMRGAQQGW-INIZCTEOSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000482784356 1073428848 /nfs/dbraw/zinc/42/88/48/1073428848.db2.gz AVRCASMRGAQQGW-INIZCTEOSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000482784359 1073428812 /nfs/dbraw/zinc/42/88/12/1073428812.db2.gz AVRCASMRGAQQGW-MRXNPFEDSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000482784359 1073428803 /nfs/dbraw/zinc/42/88/03/1073428803.db2.gz AVRCASMRGAQQGW-MRXNPFEDSA-N 1 2 428.497 -0.552 20 0 IBADLO CCn1cc(CN(CCO)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000482888323 1073433444 /nfs/dbraw/zinc/43/34/44/1073433444.db2.gz JPIJXBUIGYWRHV-UHFFFAOYSA-N 1 2 427.513 -0.277 20 0 IBADLO CCn1nccc1CN(CCO)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000482919245 1073434727 /nfs/dbraw/zinc/43/47/27/1073434727.db2.gz VDNHSWHXSWZHRW-UHFFFAOYSA-N 1 2 427.513 -0.277 20 0 IBADLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000482923228 1073434739 /nfs/dbraw/zinc/43/47/39/1073434739.db2.gz AQDAVOGFSSJQIW-IBGZPJMESA-N 1 2 436.578 -0.159 20 0 IBADLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000482923232 1073434694 /nfs/dbraw/zinc/43/46/94/1073434694.db2.gz AQDAVOGFSSJQIW-LJQANCHMSA-N 1 2 436.578 -0.159 20 0 IBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(F)F ZINC000483073206 1073437983 /nfs/dbraw/zinc/43/79/83/1073437983.db2.gz UBBATBHHCQPVBD-UHFFFAOYSA-N 1 2 434.469 -0.786 20 0 IBADLO COC(=O)[C@]12C[N@@H+](CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082918 1072823571 /nfs/dbraw/zinc/82/35/71/1072823571.db2.gz AQZKWTUSJMHZMT-MIALQEHNSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@H+](CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082918 1072823556 /nfs/dbraw/zinc/82/35/56/1072823556.db2.gz AQZKWTUSJMHZMT-MIALQEHNSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@@H+](CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082926 1072823765 /nfs/dbraw/zinc/82/37/65/1072823765.db2.gz AQZKWTUSJMHZMT-OGNFBWPZSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@H+](CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082926 1072823754 /nfs/dbraw/zinc/82/37/54/1072823754.db2.gz AQZKWTUSJMHZMT-OGNFBWPZSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@@H+](CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082930 1072823498 /nfs/dbraw/zinc/82/34/98/1072823498.db2.gz AQZKWTUSJMHZMT-PFRQMTDMSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@H+](CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082930 1072823487 /nfs/dbraw/zinc/82/34/87/1072823487.db2.gz AQZKWTUSJMHZMT-PFRQMTDMSA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@@H+](CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082934 1072823603 /nfs/dbraw/zinc/82/36/03/1072823603.db2.gz AQZKWTUSJMHZMT-TVKQPGBESA-N 1 2 444.550 -0.307 20 0 IBADLO COC(=O)[C@]12C[N@H+](CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483082934 1072823593 /nfs/dbraw/zinc/82/35/93/1072823593.db2.gz AQZKWTUSJMHZMT-TVKQPGBESA-N 1 2 444.550 -0.307 20 0 IBADLO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000483144645 1072824480 /nfs/dbraw/zinc/82/44/80/1072824480.db2.gz CIFFETPPSJWSGT-HNNXBMFYSA-N 1 2 426.481 -0.262 20 0 IBADLO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000483144645 1072824468 /nfs/dbraw/zinc/82/44/68/1072824468.db2.gz CIFFETPPSJWSGT-HNNXBMFYSA-N 1 2 426.481 -0.262 20 0 IBADLO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000483144646 1072824374 /nfs/dbraw/zinc/82/43/74/1072824374.db2.gz CIFFETPPSJWSGT-OAHLLOKOSA-N 1 2 426.481 -0.262 20 0 IBADLO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000483144646 1072824365 /nfs/dbraw/zinc/82/43/65/1072824365.db2.gz CIFFETPPSJWSGT-OAHLLOKOSA-N 1 2 426.481 -0.262 20 0 IBADLO NC(=O)c1cc(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)on1 ZINC000483187236 1073440813 /nfs/dbraw/zinc/44/08/13/1073440813.db2.gz BPDDAAFIGHGCKE-UHFFFAOYSA-N 1 2 434.884 -0.019 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000483236287 1072824408 /nfs/dbraw/zinc/82/44/08/1072824408.db2.gz YITKZUKOQBYUAU-HNNXBMFYSA-N 1 2 447.521 -0.574 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000483236289 1072824179 /nfs/dbraw/zinc/82/41/79/1072824179.db2.gz YITKZUKOQBYUAU-OAHLLOKOSA-N 1 2 447.521 -0.574 20 0 IBADLO COCCN(C)c1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000483288247 1073444694 /nfs/dbraw/zinc/44/46/94/1073444694.db2.gz XDTNXTZIMBVHTQ-UHFFFAOYSA-N 1 2 426.587 -0.226 20 0 IBADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000483318305 1073446253 /nfs/dbraw/zinc/44/62/53/1073446253.db2.gz YDYORTWNDOBWPR-INIZCTEOSA-N 1 2 429.525 -0.800 20 0 IBADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000483318306 1073446234 /nfs/dbraw/zinc/44/62/34/1073446234.db2.gz YDYORTWNDOBWPR-MRXNPFEDSA-N 1 2 429.525 -0.800 20 0 IBADLO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000483330521 1073446169 /nfs/dbraw/zinc/44/61/69/1073446169.db2.gz ARIYZSUDJDFRLV-GOSISDBHSA-N 1 2 428.493 -0.559 20 0 IBADLO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000483330521 1073446163 /nfs/dbraw/zinc/44/61/63/1073446163.db2.gz ARIYZSUDJDFRLV-GOSISDBHSA-N 1 2 428.493 -0.559 20 0 IBADLO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000483330522 1073446293 /nfs/dbraw/zinc/44/62/93/1073446293.db2.gz ARIYZSUDJDFRLV-SFHVURJKSA-N 1 2 428.493 -0.559 20 0 IBADLO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000483330522 1073446283 /nfs/dbraw/zinc/44/62/83/1073446283.db2.gz ARIYZSUDJDFRLV-SFHVURJKSA-N 1 2 428.493 -0.559 20 0 IBADLO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000483453102 1073448536 /nfs/dbraw/zinc/44/85/36/1073448536.db2.gz GYJKSRPKJMFXGO-UHFFFAOYSA-N 1 2 449.537 -0.554 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cn1C ZINC000483518357 1073449990 /nfs/dbraw/zinc/44/99/90/1073449990.db2.gz HXVBWSJQOOLPDD-UHFFFAOYSA-N 1 2 442.586 -0.738 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)c1 ZINC000483523462 1073450702 /nfs/dbraw/zinc/45/07/02/1073450702.db2.gz KGOBXNBRLQTZPI-UHFFFAOYSA-N 1 2 447.580 -0.076 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)[NH+]1CCOCC1 ZINC000483547550 1073451474 /nfs/dbraw/zinc/45/14/74/1073451474.db2.gz VOSZQHOROXOKEI-KRWDZBQOSA-N 1 2 432.477 -0.012 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)[NH+]1CCOCC1 ZINC000483547551 1073451183 /nfs/dbraw/zinc/45/11/83/1073451183.db2.gz VOSZQHOROXOKEI-QGZVFWFLSA-N 1 2 432.477 -0.012 20 0 IBADLO CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000483675523 1073454244 /nfs/dbraw/zinc/45/42/44/1073454244.db2.gz AEPUAWWVYCNSFK-UHFFFAOYSA-N 1 2 441.558 -0.882 20 0 IBADLO CC(C)n1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000483675577 1074352606 /nfs/dbraw/zinc/35/26/06/1074352606.db2.gz AWNOOMYANLWYST-UHFFFAOYSA-N 1 2 427.531 -0.961 20 0 IBADLO CC(C)c1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000483685866 1073455403 /nfs/dbraw/zinc/45/54/03/1073455403.db2.gz UYMQPZGHDRBSBI-UHFFFAOYSA-N 1 2 439.542 -0.825 20 0 IBADLO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1C ZINC000483694898 1073455943 /nfs/dbraw/zinc/45/59/43/1073455943.db2.gz AACBXDIBRZCUKW-UHFFFAOYSA-N 1 2 434.497 -0.540 20 0 IBADLO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1C ZINC000483694898 1073455932 /nfs/dbraw/zinc/45/59/32/1073455932.db2.gz AACBXDIBRZCUKW-UHFFFAOYSA-N 1 2 434.497 -0.540 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)CC1 ZINC000483695649 1073455782 /nfs/dbraw/zinc/45/57/82/1073455782.db2.gz FZNLBBOPHIREGM-UHFFFAOYSA-N 1 2 436.513 -0.294 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)CC1 ZINC000483695649 1073455771 /nfs/dbraw/zinc/45/57/71/1073455771.db2.gz FZNLBBOPHIREGM-UHFFFAOYSA-N 1 2 436.513 -0.294 20 0 IBADLO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C ZINC000483703168 1073456847 /nfs/dbraw/zinc/45/68/47/1073456847.db2.gz SAAFUQHZDZETOK-UHFFFAOYSA-N 1 2 441.452 -0.671 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000483732723 1073457573 /nfs/dbraw/zinc/45/75/73/1073457573.db2.gz MQWAHSGHBJFPEZ-GOSISDBHSA-N 1 2 442.520 -0.095 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000483732731 1073457487 /nfs/dbraw/zinc/45/74/87/1073457487.db2.gz MQWAHSGHBJFPEZ-SFHVURJKSA-N 1 2 442.520 -0.095 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000483757694 1073458084 /nfs/dbraw/zinc/45/80/84/1073458084.db2.gz IEQHGZKGMDIVER-INIZCTEOSA-N 1 2 425.530 -0.034 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000483757700 1073458417 /nfs/dbraw/zinc/45/84/17/1073458417.db2.gz IEQHGZKGMDIVER-MRXNPFEDSA-N 1 2 425.530 -0.034 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000483929838 1073462887 /nfs/dbraw/zinc/46/28/87/1073462887.db2.gz RXMRHBWLKWGKGX-UHFFFAOYSA-N 1 2 426.477 -0.018 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000483930539 1073462727 /nfs/dbraw/zinc/46/27/27/1073462727.db2.gz TZLQSHSIYMYOMI-UHFFFAOYSA-N 1 2 426.477 -0.018 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000483993595 1073465747 /nfs/dbraw/zinc/46/57/47/1073465747.db2.gz NXDKGGCSUKTGKM-UHFFFAOYSA-N 1 2 439.538 -0.015 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000484022252 1073467011 /nfs/dbraw/zinc/46/70/11/1073467011.db2.gz WLILNSPYAKZSOZ-UHFFFAOYSA-N 1 2 425.511 -0.405 20 0 IBADLO Cc1cncc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000484031399 1073466398 /nfs/dbraw/zinc/46/63/98/1073466398.db2.gz IZHDOXRGRGTPHW-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1cncc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000484031399 1073466392 /nfs/dbraw/zinc/46/63/92/1073466392.db2.gz IZHDOXRGRGTPHW-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484037923 1073467659 /nfs/dbraw/zinc/46/76/59/1073467659.db2.gz FXYPRIBGHXXTTP-AWEZNQCLSA-N 1 2 446.460 -0.389 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484037925 1073467673 /nfs/dbraw/zinc/46/76/73/1073467673.db2.gz FXYPRIBGHXXTTP-CQSZACIVSA-N 1 2 446.460 -0.389 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CC2)cc[nH+]1 ZINC000484066304 1073469221 /nfs/dbraw/zinc/46/92/21/1073469221.db2.gz GHMNAEHVLPVWPN-UHFFFAOYSA-N 1 2 438.444 -0.038 20 0 IBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCO1 ZINC000484137355 1073471500 /nfs/dbraw/zinc/47/15/00/1073471500.db2.gz RNBAWANHEDPLLI-IBGZPJMESA-N 1 2 431.537 -0.336 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCO1 ZINC000484137355 1073471499 /nfs/dbraw/zinc/47/14/99/1073471499.db2.gz RNBAWANHEDPLLI-IBGZPJMESA-N 1 2 431.537 -0.336 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCO1 ZINC000484137361 1073471459 /nfs/dbraw/zinc/47/14/59/1073471459.db2.gz RNBAWANHEDPLLI-LJQANCHMSA-N 1 2 431.537 -0.336 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CCO1 ZINC000484137361 1073471455 /nfs/dbraw/zinc/47/14/55/1073471455.db2.gz RNBAWANHEDPLLI-LJQANCHMSA-N 1 2 431.537 -0.336 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000484216660 1073475578 /nfs/dbraw/zinc/47/55/78/1073475578.db2.gz DCWNQGNYZCUWMO-PBHICJAKSA-N 1 2 430.461 -0.306 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000484216661 1073475591 /nfs/dbraw/zinc/47/55/91/1073475591.db2.gz DCWNQGNYZCUWMO-RHSMWYFYSA-N 1 2 430.461 -0.306 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000484216662 1073475553 /nfs/dbraw/zinc/47/55/53/1073475553.db2.gz DCWNQGNYZCUWMO-WMLDXEAASA-N 1 2 430.461 -0.306 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000484216663 1073475454 /nfs/dbraw/zinc/47/54/54/1073475454.db2.gz DCWNQGNYZCUWMO-YOEHRIQHSA-N 1 2 430.461 -0.306 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1C ZINC000484217889 1073475614 /nfs/dbraw/zinc/47/56/14/1073475614.db2.gz GIDLAXXOECJRGY-CYBMUJFWSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1C ZINC000484217890 1073475602 /nfs/dbraw/zinc/47/56/02/1073475602.db2.gz GIDLAXXOECJRGY-ZDUSSCGKSA-N 1 2 440.522 -0.063 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC[N@H+]1CCO ZINC000484251377 1073477002 /nfs/dbraw/zinc/47/70/02/1073477002.db2.gz CQBGSTIDSZCSMY-AWEZNQCLSA-N 1 2 425.511 -0.670 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC[N@@H+]1CCO ZINC000484251377 1073476995 /nfs/dbraw/zinc/47/69/95/1073476995.db2.gz CQBGSTIDSZCSMY-AWEZNQCLSA-N 1 2 425.511 -0.670 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC[N@H+]1CCO ZINC000484251380 1073477152 /nfs/dbraw/zinc/47/71/52/1073477152.db2.gz CQBGSTIDSZCSMY-CQSZACIVSA-N 1 2 425.511 -0.670 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC[N@@H+]1CCO ZINC000484251380 1073477147 /nfs/dbraw/zinc/47/71/47/1073477147.db2.gz CQBGSTIDSZCSMY-CQSZACIVSA-N 1 2 425.511 -0.670 20 0 IBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000484255103 1073477088 /nfs/dbraw/zinc/47/70/88/1073477088.db2.gz BJKJXHBPLJCRNM-AWEZNQCLSA-N 1 2 425.511 -0.670 20 0 IBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000484271435 1073477515 /nfs/dbraw/zinc/47/75/15/1073477515.db2.gz BJKJXHBPLJCRNM-CQSZACIVSA-N 1 2 425.511 -0.670 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000484318683 1073478263 /nfs/dbraw/zinc/47/82/63/1073478263.db2.gz VNMBXUUVHLFTMO-UHFFFAOYSA-N 1 2 437.522 -0.070 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000484327088 1073479150 /nfs/dbraw/zinc/47/91/50/1073479150.db2.gz UPWIJTQMFBGFAX-UHFFFAOYSA-N 1 2 440.566 -0.205 20 0 IBADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000484339523 1073479331 /nfs/dbraw/zinc/47/93/31/1073479331.db2.gz KENGVCSTCGLLTA-JFIYKMOQSA-N 1 2 435.525 -0.215 20 0 IBADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000484339525 1073479212 /nfs/dbraw/zinc/47/92/12/1073479212.db2.gz KENGVCSTCGLLTA-JZXOWHBKSA-N 1 2 435.525 -0.215 20 0 IBADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000484339527 1073479081 /nfs/dbraw/zinc/47/90/81/1073479081.db2.gz KENGVCSTCGLLTA-NUJGCVRESA-N 1 2 435.525 -0.215 20 0 IBADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000484339528 1073479344 /nfs/dbraw/zinc/47/93/44/1073479344.db2.gz KENGVCSTCGLLTA-SOLBZPMBSA-N 1 2 435.525 -0.215 20 0 IBADLO Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000484339544 1073479108 /nfs/dbraw/zinc/47/91/08/1073479108.db2.gz KLCGORLLOBVUKK-HNNXBMFYSA-N 1 2 427.523 -0.203 20 0 IBADLO Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000484339545 1073479264 /nfs/dbraw/zinc/47/92/64/1073479264.db2.gz KLCGORLLOBVUKK-OAHLLOKOSA-N 1 2 427.523 -0.203 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000484375626 1073251090 /nfs/dbraw/zinc/25/10/90/1073251090.db2.gz IGBBUUOUZJTFBL-UHFFFAOYSA-N 1 2 428.555 -0.190 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000484375626 1073251085 /nfs/dbraw/zinc/25/10/85/1073251085.db2.gz IGBBUUOUZJTFBL-UHFFFAOYSA-N 1 2 428.555 -0.190 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)[C@@H](C)C1 ZINC000484383191 1073482248 /nfs/dbraw/zinc/48/22/48/1073482248.db2.gz BSOCZYZANCTQNN-AWEZNQCLSA-N 1 2 446.460 -0.389 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)[C@@H](C)C1 ZINC000484383191 1073482245 /nfs/dbraw/zinc/48/22/45/1073482245.db2.gz BSOCZYZANCTQNN-AWEZNQCLSA-N 1 2 446.460 -0.389 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)[C@H](C)C1 ZINC000484383192 1073482094 /nfs/dbraw/zinc/48/20/94/1073482094.db2.gz BSOCZYZANCTQNN-CQSZACIVSA-N 1 2 446.460 -0.389 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)[C@H](C)C1 ZINC000484383192 1073482087 /nfs/dbraw/zinc/48/20/87/1073482087.db2.gz BSOCZYZANCTQNN-CQSZACIVSA-N 1 2 446.460 -0.389 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000484407629 1073252110 /nfs/dbraw/zinc/25/21/10/1073252110.db2.gz OVQRHEIENWFSAQ-UHFFFAOYSA-N 1 2 444.554 -0.490 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000484407629 1073252106 /nfs/dbraw/zinc/25/21/06/1073252106.db2.gz OVQRHEIENWFSAQ-UHFFFAOYSA-N 1 2 444.554 -0.490 20 0 IBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000484410546 1073485138 /nfs/dbraw/zinc/48/51/38/1073485138.db2.gz DNLBAYNDQVMTIK-INIZCTEOSA-N 1 2 443.508 -0.105 20 0 IBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000484410554 1073485085 /nfs/dbraw/zinc/48/50/85/1073485085.db2.gz DNLBAYNDQVMTIK-MRXNPFEDSA-N 1 2 443.508 -0.105 20 0 IBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000484421260 1073486287 /nfs/dbraw/zinc/48/62/87/1073486287.db2.gz AAYCUOQJZHIGRN-INIZCTEOSA-N 1 2 443.508 -0.105 20 0 IBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000484421261 1073486193 /nfs/dbraw/zinc/48/61/93/1073486193.db2.gz AAYCUOQJZHIGRN-MRXNPFEDSA-N 1 2 443.508 -0.105 20 0 IBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000484428807 1073485157 /nfs/dbraw/zinc/48/51/57/1073485157.db2.gz YBQPAIKEZKSSTF-CYBMUJFWSA-N 1 2 439.476 -0.215 20 0 IBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000484428808 1073484877 /nfs/dbraw/zinc/48/48/77/1073484877.db2.gz YBQPAIKEZKSSTF-ZDUSSCGKSA-N 1 2 439.476 -0.215 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000484432563 1073487606 /nfs/dbraw/zinc/48/76/06/1073487606.db2.gz VXPWEZKUWJNIPO-HNNXBMFYSA-N 1 2 431.497 -0.201 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000484432564 1073487802 /nfs/dbraw/zinc/48/78/02/1073487802.db2.gz VXPWEZKUWJNIPO-OAHLLOKOSA-N 1 2 431.497 -0.201 20 0 IBADLO C[C@H]1CCC[C@@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000484539874 1073491551 /nfs/dbraw/zinc/49/15/51/1073491551.db2.gz ZUAAFSLTDXJJKL-DLBZAZTESA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000484539885 1073491487 /nfs/dbraw/zinc/49/14/87/1073491487.db2.gz ZUAAFSLTDXJJKL-IAGOWNOFSA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000484539887 1073491517 /nfs/dbraw/zinc/49/15/17/1073491517.db2.gz ZUAAFSLTDXJJKL-IRXDYDNUSA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000484539889 1073491589 /nfs/dbraw/zinc/49/15/89/1073491589.db2.gz ZUAAFSLTDXJJKL-SJORKVTESA-N 1 2 429.587 -0.435 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484587579 1073493641 /nfs/dbraw/zinc/49/36/41/1073493641.db2.gz XHDWEKSPJWNFTN-DLBZAZTESA-N 1 2 437.566 -0.256 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484587580 1073493607 /nfs/dbraw/zinc/49/36/07/1073493607.db2.gz XHDWEKSPJWNFTN-IAGOWNOFSA-N 1 2 437.566 -0.256 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484587581 1073493684 /nfs/dbraw/zinc/49/36/84/1073493684.db2.gz XHDWEKSPJWNFTN-IRXDYDNUSA-N 1 2 437.566 -0.256 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484587582 1073493647 /nfs/dbraw/zinc/49/36/47/1073493647.db2.gz XHDWEKSPJWNFTN-SJORKVTESA-N 1 2 437.566 -0.256 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)n(C)c1 ZINC000484597491 1073494324 /nfs/dbraw/zinc/49/43/24/1073494324.db2.gz FEMPUBCVQJROHQ-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)n(C)c1 ZINC000484597491 1073494319 /nfs/dbraw/zinc/49/43/19/1073494319.db2.gz FEMPUBCVQJROHQ-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1 ZINC000484603880 1073494920 /nfs/dbraw/zinc/49/49/20/1073494920.db2.gz PUCRXOCCLUXZRZ-UHFFFAOYSA-N 1 2 426.477 -0.118 20 0 IBADLO CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCO2)cn1 ZINC000484634807 1073495696 /nfs/dbraw/zinc/49/56/96/1073495696.db2.gz HERIOOUNMSLRKV-KRWDZBQOSA-N 1 2 431.497 -0.030 20 0 IBADLO CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCO2)cn1 ZINC000484634813 1073495748 /nfs/dbraw/zinc/49/57/48/1073495748.db2.gz HERIOOUNMSLRKV-QGZVFWFLSA-N 1 2 431.497 -0.030 20 0 IBADLO CNC(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000484669769 1073497252 /nfs/dbraw/zinc/49/72/52/1073497252.db2.gz OUVODNAYIHAABB-UHFFFAOYSA-N 1 2 432.506 -0.282 20 0 IBADLO NC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000484698535 1073497906 /nfs/dbraw/zinc/49/79/06/1073497906.db2.gz HCINDOOQDGQGLQ-UHFFFAOYSA-N 1 2 433.900 -0.101 20 0 IBADLO CC1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000484719172 1073497979 /nfs/dbraw/zinc/49/79/79/1073497979.db2.gz CVNMPIZDBBKWLQ-UHFFFAOYSA-N 1 2 429.587 -0.435 20 0 IBADLO CCc1nc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n[nH]1 ZINC000484727502 1073257234 /nfs/dbraw/zinc/25/72/34/1073257234.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 1 2 433.557 -0.451 20 0 IBADLO CCc1n[nH]c(C2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n1 ZINC000484727502 1073257230 /nfs/dbraw/zinc/25/72/30/1073257230.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 1 2 433.557 -0.451 20 0 IBADLO CCc1nnc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)[nH]1 ZINC000484727502 1073257225 /nfs/dbraw/zinc/25/72/25/1073257225.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 1 2 433.557 -0.451 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000484764382 1073499835 /nfs/dbraw/zinc/49/98/35/1073499835.db2.gz QIBMEVRAEUDWDF-CVEARBPZSA-N 1 2 425.559 -0.242 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000484764383 1073499874 /nfs/dbraw/zinc/49/98/74/1073499874.db2.gz QIBMEVRAEUDWDF-HOTGVXAUSA-N 1 2 425.559 -0.242 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000484764384 1073499755 /nfs/dbraw/zinc/49/97/55/1073499755.db2.gz QIBMEVRAEUDWDF-HZPDHXFCSA-N 1 2 425.559 -0.242 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000484764385 1073499867 /nfs/dbraw/zinc/49/98/67/1073499867.db2.gz QIBMEVRAEUDWDF-JKSUJKDBSA-N 1 2 425.559 -0.242 20 0 IBADLO CS(=O)(=O)NCC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000484766022 1073499789 /nfs/dbraw/zinc/49/97/89/1073499789.db2.gz TUVMHPLXAREKOW-UHFFFAOYSA-N 1 2 425.559 -0.431 20 0 IBADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n(C)c1 ZINC000484807094 1073501697 /nfs/dbraw/zinc/50/16/97/1073501697.db2.gz FFNKFHBNRJLLLV-UHFFFAOYSA-N 1 2 432.510 -0.086 20 0 IBADLO C[C@]1(C[C@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(=O)NC1=O ZINC000484827964 1073502818 /nfs/dbraw/zinc/50/28/18/1073502818.db2.gz XJJZUFYOTDUHNY-FOIQADDNSA-N 1 2 430.513 -0.239 20 0 IBADLO C[C@]1(C[C@@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(=O)NC1=O ZINC000484827969 1073502847 /nfs/dbraw/zinc/50/28/47/1073502847.db2.gz XJJZUFYOTDUHNY-MGPUTAFESA-N 1 2 430.513 -0.239 20 0 IBADLO C[C@@]1(C[C@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(=O)NC1=O ZINC000484827970 1073502745 /nfs/dbraw/zinc/50/27/45/1073502745.db2.gz XJJZUFYOTDUHNY-QRWLVFNGSA-N 1 2 430.513 -0.239 20 0 IBADLO C[C@@]1(C[C@@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(=O)NC1=O ZINC000484827971 1073502881 /nfs/dbraw/zinc/50/28/81/1073502881.db2.gz XJJZUFYOTDUHNY-YWZLYKJASA-N 1 2 430.513 -0.239 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)cn1C ZINC000484835651 1073503406 /nfs/dbraw/zinc/50/34/06/1073503406.db2.gz OHSAYEQZOBPBPG-UHFFFAOYSA-N 1 2 447.565 -0.221 20 0 IBADLO O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000484893299 1073505200 /nfs/dbraw/zinc/50/52/00/1073505200.db2.gz LRVBNGJGNLQKAV-HNNXBMFYSA-N 1 2 427.498 -0.104 20 0 IBADLO O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000484893301 1073505248 /nfs/dbraw/zinc/50/52/48/1073505248.db2.gz LRVBNGJGNLQKAV-OAHLLOKOSA-N 1 2 427.498 -0.104 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 ZINC000484917976 1073505878 /nfs/dbraw/zinc/50/58/78/1073505878.db2.gz PVUGIJQVOIJLOT-UHFFFAOYSA-N 1 2 440.566 -0.079 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC000484944452 1073506925 /nfs/dbraw/zinc/50/69/25/1073506925.db2.gz KCOOMQQVKQBVLJ-SFHVURJKSA-N 1 2 431.493 -0.514 20 0 IBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)on1 ZINC000484992785 1073508869 /nfs/dbraw/zinc/50/88/69/1073508869.db2.gz YZIXICYANPUUCH-YQQAZPJKSA-N 1 2 426.493 -0.277 20 0 IBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)on1 ZINC000484992785 1073508856 /nfs/dbraw/zinc/50/88/56/1073508856.db2.gz YZIXICYANPUUCH-YQQAZPJKSA-N 1 2 426.493 -0.277 20 0 IBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)on1 ZINC000484992786 1073508734 /nfs/dbraw/zinc/50/87/34/1073508734.db2.gz YZIXICYANPUUCH-ZOBUZTSGSA-N 1 2 426.493 -0.277 20 0 IBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)on1 ZINC000484992786 1073508719 /nfs/dbraw/zinc/50/87/19/1073508719.db2.gz YZIXICYANPUUCH-ZOBUZTSGSA-N 1 2 426.493 -0.277 20 0 IBADLO COC(=O)[C@]12CN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@H]1COCC2 ZINC000485014497 1072824966 /nfs/dbraw/zinc/82/49/66/1072824966.db2.gz KJWRRTUYIJAGPE-MGPUTAFESA-N 1 2 435.481 -0.808 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@]2(CCOC2)O1 ZINC000485095631 1073513111 /nfs/dbraw/zinc/51/31/11/1073513111.db2.gz NMRDGSABGDYXSC-BTYIYWSLSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@]2(CCOC2)O1 ZINC000485095633 1073513392 /nfs/dbraw/zinc/51/33/92/1073513392.db2.gz NMRDGSABGDYXSC-QVKFZJNVSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@]2(CCOC2)O1 ZINC000485095634 1073513131 /nfs/dbraw/zinc/51/31/31/1073513131.db2.gz NMRDGSABGDYXSC-VFNWGFHPSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@]2(CCOC2)O1 ZINC000485095635 1073513219 /nfs/dbraw/zinc/51/32/19/1073513219.db2.gz NMRDGSABGDYXSC-YCRPNKLZSA-N 1 2 431.493 -0.186 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)cc2)CC1 ZINC000485330407 1073523016 /nfs/dbraw/zinc/52/30/16/1073523016.db2.gz AUBAFNPYCBYTOG-UHFFFAOYSA-N 1 2 425.436 -0.213 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c2)CC1 ZINC000485338009 1073523518 /nfs/dbraw/zinc/52/35/18/1073523518.db2.gz MYIHIMUGVBHIBB-UHFFFAOYSA-N 1 2 425.436 -0.213 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)NCC(F)F)CC1 ZINC000485340618 1073523387 /nfs/dbraw/zinc/52/33/87/1073523387.db2.gz WZTWNOXEQYGONB-UHFFFAOYSA-N 1 2 425.436 -0.213 20 0 IBADLO C[C@H](CNC(=O)CC1(C(=O)NC[C@H](C)N2CCOCC2)CCOCC1)[NH+]1CCOCC1 ZINC000485368503 1073523367 /nfs/dbraw/zinc/52/33/67/1073523367.db2.gz QNAXRJGGRBWJNA-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H](CNC(=O)C1(CC(=O)NC[C@H](C)[NH+]2CCOCC2)CCOCC1)N1CCOCC1 ZINC000485368504 1073524174 /nfs/dbraw/zinc/52/41/74/1073524174.db2.gz QNAXRJGGRBWJNA-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H](CNC(=O)C1(CC(=O)NC[C@H](C)[NH+]2CCOCC2)CCOCC1)N1CCOCC1 ZINC000485368505 1073524104 /nfs/dbraw/zinc/52/41/04/1073524104.db2.gz QNAXRJGGRBWJNA-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H](CNC(=O)C1(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)CCOCC1)N1CCOCC1 ZINC000485368506 1073523896 /nfs/dbraw/zinc/52/38/96/1073523896.db2.gz QNAXRJGGRBWJNA-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C(=O)N[C@@H](C)CN2CCOCC2)CCOCC1 ZINC000485371533 1073523925 /nfs/dbraw/zinc/52/39/25/1073523925.db2.gz QIIIXLPQVDAAPI-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H](CN1CCOCC1)NC(=O)C1(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC000485371534 1073524243 /nfs/dbraw/zinc/52/42/43/1073524243.db2.gz QIIIXLPQVDAAPI-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H](CN1CCOCC1)NC(=O)C1(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC000485371535 1073523953 /nfs/dbraw/zinc/52/39/53/1073523953.db2.gz QIIIXLPQVDAAPI-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H](CN1CCOCC1)NC(=O)C1(CC(=O)N[C@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC000485371536 1073524029 /nfs/dbraw/zinc/52/40/29/1073524029.db2.gz QIIIXLPQVDAAPI-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO CNC(=O)[C@]1(C)CCN(c2nc(N3CC[C@@](C)(C(=O)NC)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000485402739 1073524137 /nfs/dbraw/zinc/52/41/37/1073524137.db2.gz BUZHAZZCMZHWLY-NHCUHLMSSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@]1(C)CCN(c2nc(N3CCOCC3)nc(N3CC[C@@](C)(C(=O)NC)C3)[nH+]2)C1 ZINC000485402739 1073524126 /nfs/dbraw/zinc/52/41/26/1073524126.db2.gz BUZHAZZCMZHWLY-NHCUHLMSSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(c2nc(N3CC[C@](C)(C(=O)NC)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000485402745 1073524064 /nfs/dbraw/zinc/52/40/64/1073524064.db2.gz BUZHAZZCMZHWLY-SFTDATJTSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(c2nc(N3CCOCC3)nc(N3CC[C@](C)(C(=O)NC)C3)[nH+]2)C1 ZINC000485402745 1073524053 /nfs/dbraw/zinc/52/40/53/1073524053.db2.gz BUZHAZZCMZHWLY-SFTDATJTSA-N 1 2 446.556 -0.367 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(c2nc(NCCOC)nc(N3CC[C@](C)(C(=O)NC)C3)[nH+]2)C1 ZINC000485436500 1073526324 /nfs/dbraw/zinc/52/63/24/1073526324.db2.gz XFZRQGWJOXAVRB-PMACEKPBSA-N 1 2 434.545 -0.723 20 0 IBADLO CNC(=O)[C@]1(C)CCN(c2nc(NCCOC)nc(N3CC[C@@](C)(C(=O)NC)C3)[nH+]2)C1 ZINC000485436501 1073526583 /nfs/dbraw/zinc/52/65/83/1073526583.db2.gz XFZRQGWJOXAVRB-WOJBJXKFSA-N 1 2 434.545 -0.723 20 0 IBADLO C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000485537183 1073528473 /nfs/dbraw/zinc/52/84/73/1073528473.db2.gz OSHRPYAFITWHLZ-DLBZAZTESA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000485537184 1073528545 /nfs/dbraw/zinc/52/85/45/1073528545.db2.gz OSHRPYAFITWHLZ-IAGOWNOFSA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000485537185 1073528353 /nfs/dbraw/zinc/52/83/53/1073528353.db2.gz OSHRPYAFITWHLZ-IRXDYDNUSA-N 1 2 429.587 -0.435 20 0 IBADLO C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000485537186 1073528182 /nfs/dbraw/zinc/52/81/82/1073528182.db2.gz OSHRPYAFITWHLZ-SJORKVTESA-N 1 2 429.587 -0.435 20 0 IBADLO CC(C)Cc1nnc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000485690212 1073532598 /nfs/dbraw/zinc/53/25/98/1073532598.db2.gz AYPKNZNLDATYRD-UHFFFAOYSA-N 1 2 445.615 -0.215 20 0 IBADLO CCCCc1nnc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000485693295 1073532549 /nfs/dbraw/zinc/53/25/49/1073532549.db2.gz HOWAFXWXHSVWNU-UHFFFAOYSA-N 1 2 445.615 -0.071 20 0 IBADLO CC(C)c1nnc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000485694567 1073533689 /nfs/dbraw/zinc/53/36/89/1073533689.db2.gz KNGAVUQMQBTIAE-UHFFFAOYSA-N 1 2 431.588 -0.290 20 0 IBADLO Cc1cc(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000485865054 1073537088 /nfs/dbraw/zinc/53/70/88/1073537088.db2.gz TWQVFEMRYXLORX-UHFFFAOYSA-N 1 2 429.524 -0.051 20 0 IBADLO CSCC[C@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000485889564 1073537577 /nfs/dbraw/zinc/53/75/77/1073537577.db2.gz CXNCQGZENCSHGK-AWEZNQCLSA-N 1 2 444.583 -0.560 20 0 IBADLO CSCC[C@@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000485889565 1073537486 /nfs/dbraw/zinc/53/74/86/1073537486.db2.gz CXNCQGZENCSHGK-CQSZACIVSA-N 1 2 444.583 -0.560 20 0 IBADLO COCCN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000485942223 1073538676 /nfs/dbraw/zinc/53/86/76/1073538676.db2.gz CSHAEBHCFSZTTA-INIZCTEOSA-N 1 2 439.538 -0.856 20 0 IBADLO COCCN1C[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000485942228 1073538509 /nfs/dbraw/zinc/53/85/09/1073538509.db2.gz CSHAEBHCFSZTTA-MRXNPFEDSA-N 1 2 439.538 -0.856 20 0 IBADLO COCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000486023705 1073539775 /nfs/dbraw/zinc/53/97/75/1073539775.db2.gz CZBDGSNYOUILOA-UHFFFAOYSA-N 1 2 432.568 -0.369 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486059643 1073540680 /nfs/dbraw/zinc/54/06/80/1073540680.db2.gz OHWQMIROBDOJBN-UHFFFAOYSA-N 1 2 434.522 -0.535 20 0 IBADLO COC(=O)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000486154802 1073541814 /nfs/dbraw/zinc/54/18/14/1073541814.db2.gz HSMWPROFUJISSK-UHFFFAOYSA-N 1 2 425.511 -0.214 20 0 IBADLO COc1cccc(OCC[NH+]2CCN([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1 ZINC000486231685 1073543810 /nfs/dbraw/zinc/54/38/10/1073543810.db2.gz LAHKNNHEFXDMRS-HNNXBMFYSA-N 1 2 445.520 -0.057 20 0 IBADLO COc1cccc(OCC[NH+]2CCN([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1 ZINC000486231686 1073543453 /nfs/dbraw/zinc/54/34/53/1073543453.db2.gz LAHKNNHEFXDMRS-OAHLLOKOSA-N 1 2 445.520 -0.057 20 0 IBADLO CSCC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486246260 1073544203 /nfs/dbraw/zinc/54/42/03/1073544203.db2.gz UNNBSHPJTLGEQY-HNNXBMFYSA-N 1 2 431.584 -0.053 20 0 IBADLO CSCC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486246261 1073544147 /nfs/dbraw/zinc/54/41/47/1073544147.db2.gz UNNBSHPJTLGEQY-OAHLLOKOSA-N 1 2 431.584 -0.053 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1 ZINC000486248071 1073544381 /nfs/dbraw/zinc/54/43/81/1073544381.db2.gz BZYQPMQMUGJYSD-UHFFFAOYSA-N 1 2 431.493 -0.446 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000486394244 1073547597 /nfs/dbraw/zinc/54/75/97/1073547597.db2.gz BBZYMPSJNZIPNW-KRWDZBQOSA-N 1 2 436.534 -0.201 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000486394245 1073547424 /nfs/dbraw/zinc/54/74/24/1073547424.db2.gz BBZYMPSJNZIPNW-QGZVFWFLSA-N 1 2 436.534 -0.201 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486425613 1073547568 /nfs/dbraw/zinc/54/75/68/1073547568.db2.gz BRUWIUVYFWSIMP-UHFFFAOYSA-N 1 2 449.537 -0.810 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486425613 1073547554 /nfs/dbraw/zinc/54/75/54/1073547554.db2.gz BRUWIUVYFWSIMP-UHFFFAOYSA-N 1 2 449.537 -0.810 20 0 IBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486558439 1073549681 /nfs/dbraw/zinc/54/96/81/1073549681.db2.gz UVRKNBGNTRRYGB-UHFFFAOYSA-N 1 2 449.515 -0.213 20 0 IBADLO COc1cc(OC)cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000486669494 1073552291 /nfs/dbraw/zinc/55/22/91/1073552291.db2.gz FFYKNVFZZGXXPX-UHFFFAOYSA-N 1 2 448.567 -0.498 20 0 IBADLO CO[C@@H](C)c1noc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000486802921 1073556130 /nfs/dbraw/zinc/55/61/30/1073556130.db2.gz XUXGRSPIEHWPLB-AWEZNQCLSA-N 1 2 430.531 -0.654 20 0 IBADLO CO[C@H](C)c1noc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000486802927 1073556086 /nfs/dbraw/zinc/55/60/86/1073556086.db2.gz XUXGRSPIEHWPLB-CQSZACIVSA-N 1 2 430.531 -0.654 20 0 IBADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000486914708 1073558421 /nfs/dbraw/zinc/55/84/21/1073558421.db2.gz YWMCNUPNXXBTFI-UHFFFAOYSA-N 1 2 425.555 -0.184 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000486992659 1073560165 /nfs/dbraw/zinc/56/01/65/1073560165.db2.gz BBOSRTJLZVPXLQ-HNNXBMFYSA-N 1 2 442.542 -0.389 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000486992659 1073560152 /nfs/dbraw/zinc/56/01/52/1073560152.db2.gz BBOSRTJLZVPXLQ-HNNXBMFYSA-N 1 2 442.542 -0.389 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000486992663 1073560706 /nfs/dbraw/zinc/56/07/06/1073560706.db2.gz BBOSRTJLZVPXLQ-OAHLLOKOSA-N 1 2 442.542 -0.389 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000486992663 1073560693 /nfs/dbraw/zinc/56/06/93/1073560693.db2.gz BBOSRTJLZVPXLQ-OAHLLOKOSA-N 1 2 442.542 -0.389 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000487011198 1073560529 /nfs/dbraw/zinc/56/05/29/1073560529.db2.gz NXQYDLUQVDGTGV-UHFFFAOYSA-N 1 2 428.515 -0.825 20 0 IBADLO COC(=O)CCN(C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000487011198 1073560516 /nfs/dbraw/zinc/56/05/16/1073560516.db2.gz NXQYDLUQVDGTGV-UHFFFAOYSA-N 1 2 428.515 -0.825 20 0 IBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000487114527 1073565838 /nfs/dbraw/zinc/56/58/38/1073565838.db2.gz PUEXIFNAWQKPQQ-HNNXBMFYSA-N 1 2 438.506 -0.691 20 0 IBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000487114530 1073565820 /nfs/dbraw/zinc/56/58/20/1073565820.db2.gz PUEXIFNAWQKPQQ-OAHLLOKOSA-N 1 2 438.506 -0.691 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487165656 1073568042 /nfs/dbraw/zinc/56/80/42/1073568042.db2.gz XAYBXVWACAPFEL-KRWDZBQOSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487165656 1073568029 /nfs/dbraw/zinc/56/80/29/1073568029.db2.gz XAYBXVWACAPFEL-KRWDZBQOSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487165674 1073568196 /nfs/dbraw/zinc/56/81/96/1073568196.db2.gz XAYBXVWACAPFEL-QGZVFWFLSA-N 1 2 443.614 -0.455 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487165674 1073568189 /nfs/dbraw/zinc/56/81/89/1073568189.db2.gz XAYBXVWACAPFEL-QGZVFWFLSA-N 1 2 443.614 -0.455 20 0 IBADLO CCOc1ccnc(N2CCC[N@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000487174638 1073567670 /nfs/dbraw/zinc/56/76/70/1073567670.db2.gz STLNPFOJVIBKRS-CYBMUJFWSA-N 1 2 431.497 -0.362 20 0 IBADLO CCOc1ccnc(N2CCC[N@@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000487174638 1073567664 /nfs/dbraw/zinc/56/76/64/1073567664.db2.gz STLNPFOJVIBKRS-CYBMUJFWSA-N 1 2 431.497 -0.362 20 0 IBADLO CCOc1ccnc(N2CCC[N@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000487174639 1073567485 /nfs/dbraw/zinc/56/74/85/1073567485.db2.gz STLNPFOJVIBKRS-ZDUSSCGKSA-N 1 2 431.497 -0.362 20 0 IBADLO CCOc1ccnc(N2CCC[N@@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)n1 ZINC000487174639 1073567474 /nfs/dbraw/zinc/56/74/74/1073567474.db2.gz STLNPFOJVIBKRS-ZDUSSCGKSA-N 1 2 431.497 -0.362 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1C ZINC000487207088 1073569240 /nfs/dbraw/zinc/56/92/40/1073569240.db2.gz KARJILLGNMDYIA-UHFFFAOYSA-N 1 2 425.515 -0.436 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000487237006 1073569601 /nfs/dbraw/zinc/56/96/01/1073569601.db2.gz RXHISDYCNZDYAJ-UHFFFAOYSA-N 1 2 438.510 -0.183 20 0 IBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000487261355 1073570263 /nfs/dbraw/zinc/57/02/63/1073570263.db2.gz RQGHSQUAPPQVQW-UHFFFAOYSA-N 1 2 427.259 -0.121 20 0 IBADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000487317374 1073570738 /nfs/dbraw/zinc/57/07/38/1073570738.db2.gz WMJBVWFMZFNWOB-RBUKOAKNSA-N 1 2 432.521 -0.673 20 0 IBADLO C[N@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000487317374 1073570725 /nfs/dbraw/zinc/57/07/25/1073570725.db2.gz WMJBVWFMZFNWOB-RBUKOAKNSA-N 1 2 432.521 -0.673 20 0 IBADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000487317375 1073571325 /nfs/dbraw/zinc/57/13/25/1073571325.db2.gz WMJBVWFMZFNWOB-RTBURBONSA-N 1 2 432.521 -0.673 20 0 IBADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000487317375 1073571314 /nfs/dbraw/zinc/57/13/14/1073571314.db2.gz WMJBVWFMZFNWOB-RTBURBONSA-N 1 2 432.521 -0.673 20 0 IBADLO CO[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1OC ZINC000487366223 1071431030 /nfs/dbraw/zinc/43/10/30/1071431030.db2.gz WSEGTNVBOBKGNR-HOTGVXAUSA-N 1 2 427.527 -0.411 20 0 IBADLO CO[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1OC ZINC000487366227 1071430926 /nfs/dbraw/zinc/43/09/26/1071430926.db2.gz WSEGTNVBOBKGNR-HZPDHXFCSA-N 1 2 427.527 -0.411 20 0 IBADLO CO[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1OC ZINC000487366228 1071431092 /nfs/dbraw/zinc/43/10/92/1071431092.db2.gz WSEGTNVBOBKGNR-IYBDPMFKSA-N 1 2 427.527 -0.411 20 0 IBADLO CCNC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000487503900 1072634684 /nfs/dbraw/zinc/63/46/84/1072634684.db2.gz OFEBKSLBTPAJER-UHFFFAOYSA-N 1 2 430.575 -0.888 20 0 IBADLO NC(=O)CC[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000487589080 1073571953 /nfs/dbraw/zinc/57/19/53/1073571953.db2.gz IWNWMKNMDYDNEW-KRWDZBQOSA-N 1 2 439.476 -0.647 20 0 IBADLO NC(=O)CC[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000487589085 1073571895 /nfs/dbraw/zinc/57/18/95/1073571895.db2.gz IWNWMKNMDYDNEW-QGZVFWFLSA-N 1 2 439.476 -0.647 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)c1 ZINC000487605553 1073572260 /nfs/dbraw/zinc/57/22/60/1073572260.db2.gz IHMFFKMXLHDDCX-HNNXBMFYSA-N 1 2 447.521 -0.877 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)c1 ZINC000487605555 1073572323 /nfs/dbraw/zinc/57/23/23/1073572323.db2.gz IHMFFKMXLHDDCX-OAHLLOKOSA-N 1 2 447.521 -0.877 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000487654721 1073573705 /nfs/dbraw/zinc/57/37/05/1073573705.db2.gz ROXHFVCKAYXGST-HNNXBMFYSA-N 1 2 426.543 -0.320 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000487654721 1073573693 /nfs/dbraw/zinc/57/36/93/1073573693.db2.gz ROXHFVCKAYXGST-HNNXBMFYSA-N 1 2 426.543 -0.320 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000487654726 1073573775 /nfs/dbraw/zinc/57/37/75/1073573775.db2.gz ROXHFVCKAYXGST-OAHLLOKOSA-N 1 2 426.543 -0.320 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000487654726 1073573769 /nfs/dbraw/zinc/57/37/69/1073573769.db2.gz ROXHFVCKAYXGST-OAHLLOKOSA-N 1 2 426.543 -0.320 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487684635 1073575278 /nfs/dbraw/zinc/57/52/78/1073575278.db2.gz CRAFTAJFFNLQOU-KRWDZBQOSA-N 1 2 437.570 -0.192 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487684640 1073575187 /nfs/dbraw/zinc/57/51/87/1073575187.db2.gz CRAFTAJFFNLQOU-QGZVFWFLSA-N 1 2 437.570 -0.192 20 0 IBADLO CCN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000487922278 1073579244 /nfs/dbraw/zinc/57/92/44/1073579244.db2.gz TWYOFJUYWUGCTQ-INIZCTEOSA-N 1 2 438.554 -0.204 20 0 IBADLO CCN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000487922279 1073579410 /nfs/dbraw/zinc/57/94/10/1073579410.db2.gz TWYOFJUYWUGCTQ-MRXNPFEDSA-N 1 2 438.554 -0.204 20 0 IBADLO O=C(CCNC(=O)N(CCO)CCN1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000487942615 1073364976 /nfs/dbraw/zinc/36/49/76/1073364976.db2.gz GWOXUXJCPSUYMG-UHFFFAOYSA-N 1 2 434.541 -0.544 20 0 IBADLO O=C(C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000487945558 1073579678 /nfs/dbraw/zinc/57/96/78/1073579678.db2.gz LGVCRXINWSLVTR-BHIYHBOVSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000487945558 1073579667 /nfs/dbraw/zinc/57/96/67/1073579667.db2.gz LGVCRXINWSLVTR-BHIYHBOVSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000487945569 1073579820 /nfs/dbraw/zinc/57/98/20/1073579820.db2.gz LGVCRXINWSLVTR-NZSAHSFTSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000487945569 1073579808 /nfs/dbraw/zinc/57/98/08/1073579808.db2.gz LGVCRXINWSLVTR-NZSAHSFTSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000487945580 1073580010 /nfs/dbraw/zinc/58/00/10/1073580010.db2.gz LGVCRXINWSLVTR-QXAKKESOSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000487945580 1073579998 /nfs/dbraw/zinc/57/99/98/1073579998.db2.gz LGVCRXINWSLVTR-QXAKKESOSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000487945588 1073579645 /nfs/dbraw/zinc/57/96/45/1073579645.db2.gz LGVCRXINWSLVTR-YTQUADARSA-N 1 2 438.594 -0.207 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000487945588 1073579634 /nfs/dbraw/zinc/57/96/34/1073579634.db2.gz LGVCRXINWSLVTR-YTQUADARSA-N 1 2 438.594 -0.207 20 0 IBADLO COCCN(C(=O)C[NH+]1C[C@H](OC)[C@@H](OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000487991305 1073580304 /nfs/dbraw/zinc/58/03/04/1073580304.db2.gz SQVZDJODLWCPAI-KBPBESRZSA-N 1 2 427.502 -0.488 20 0 IBADLO COCCN(C(=O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000487991313 1073580535 /nfs/dbraw/zinc/58/05/35/1073580535.db2.gz SQVZDJODLWCPAI-OKILXGFUSA-N 1 2 427.502 -0.488 20 0 IBADLO COCCN(C(=O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000487991313 1073580525 /nfs/dbraw/zinc/58/05/25/1073580525.db2.gz SQVZDJODLWCPAI-OKILXGFUSA-N 1 2 427.502 -0.488 20 0 IBADLO COCCN(C(=O)C[NH+]1C[C@@H](OC)[C@H](OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000487991318 1073580349 /nfs/dbraw/zinc/58/03/49/1073580349.db2.gz SQVZDJODLWCPAI-ZIAGYGMSSA-N 1 2 427.502 -0.488 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000487991811 1073580241 /nfs/dbraw/zinc/58/02/41/1073580241.db2.gz TYBUWHCFECILTC-KRWDZBQOSA-N 1 2 430.571 -0.560 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000487991811 1073580233 /nfs/dbraw/zinc/58/02/33/1073580233.db2.gz TYBUWHCFECILTC-KRWDZBQOSA-N 1 2 430.571 -0.560 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000487991812 1073580572 /nfs/dbraw/zinc/58/05/72/1073580572.db2.gz TYBUWHCFECILTC-QGZVFWFLSA-N 1 2 430.571 -0.560 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000487991812 1073580559 /nfs/dbraw/zinc/58/05/59/1073580559.db2.gz TYBUWHCFECILTC-QGZVFWFLSA-N 1 2 430.571 -0.560 20 0 IBADLO CO[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1OC ZINC000488000272 1073580404 /nfs/dbraw/zinc/58/04/04/1073580404.db2.gz PCFKIWVGLQCDOK-CALCHBBNSA-N 1 2 427.523 -0.331 20 0 IBADLO CO[C@@H]1C[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1OC ZINC000488000272 1073580397 /nfs/dbraw/zinc/58/03/97/1073580397.db2.gz PCFKIWVGLQCDOK-CALCHBBNSA-N 1 2 427.523 -0.331 20 0 IBADLO CO[C@@H]1C[NH+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1OC ZINC000488017929 1073581119 /nfs/dbraw/zinc/58/11/19/1073581119.db2.gz PCFKIWVGLQCDOK-IAGOWNOFSA-N 1 2 427.523 -0.331 20 0 IBADLO CO[C@H]1C[NH+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@@H]1OC ZINC000488017930 1073581087 /nfs/dbraw/zinc/58/10/87/1073581087.db2.gz PCFKIWVGLQCDOK-IRXDYDNUSA-N 1 2 427.523 -0.331 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000488024923 1073581178 /nfs/dbraw/zinc/58/11/78/1073581178.db2.gz LBGKGINNEOXXHP-KRWDZBQOSA-N 1 2 434.603 -0.414 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000488024928 1073581555 /nfs/dbraw/zinc/58/15/55/1073581555.db2.gz LBGKGINNEOXXHP-QGZVFWFLSA-N 1 2 434.603 -0.414 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000488167541 1073583010 /nfs/dbraw/zinc/58/30/10/1073583010.db2.gz VXXDASVAMBQGOV-UHFFFAOYSA-N 1 2 426.403 -0.324 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000488243786 1073584129 /nfs/dbraw/zinc/58/41/29/1073584129.db2.gz AVTQWWJKJARLRZ-KRWDZBQOSA-N 1 2 438.554 -0.748 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000488243786 1073584117 /nfs/dbraw/zinc/58/41/17/1073584117.db2.gz AVTQWWJKJARLRZ-KRWDZBQOSA-N 1 2 438.554 -0.748 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000488243787 1073583960 /nfs/dbraw/zinc/58/39/60/1073583960.db2.gz AVTQWWJKJARLRZ-QGZVFWFLSA-N 1 2 438.554 -0.748 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000488243787 1073583946 /nfs/dbraw/zinc/58/39/46/1073583946.db2.gz AVTQWWJKJARLRZ-QGZVFWFLSA-N 1 2 438.554 -0.748 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)c1 ZINC000488269334 1073584504 /nfs/dbraw/zinc/58/45/04/1073584504.db2.gz QHGXYXCCBCOIGH-UHFFFAOYSA-N 1 2 440.522 -0.641 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)c1 ZINC000488269334 1073584490 /nfs/dbraw/zinc/58/44/90/1073584490.db2.gz QHGXYXCCBCOIGH-UHFFFAOYSA-N 1 2 440.522 -0.641 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)cc1OC ZINC000488279288 1073584978 /nfs/dbraw/zinc/58/49/78/1073584978.db2.gz JJVPHUBYMIKMKW-UHFFFAOYSA-N 1 2 440.522 -0.641 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)cc1OC ZINC000488279288 1073584962 /nfs/dbraw/zinc/58/49/62/1073584962.db2.gz JJVPHUBYMIKMKW-UHFFFAOYSA-N 1 2 440.522 -0.641 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)o1 ZINC000488387735 1073586396 /nfs/dbraw/zinc/58/63/96/1073586396.db2.gz OIWFOGSRNPRHSS-AWEZNQCLSA-N 1 2 441.510 -0.742 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)o1 ZINC000488387735 1073586386 /nfs/dbraw/zinc/58/63/86/1073586386.db2.gz OIWFOGSRNPRHSS-AWEZNQCLSA-N 1 2 441.510 -0.742 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)o1 ZINC000488387736 1073586363 /nfs/dbraw/zinc/58/63/63/1073586363.db2.gz OIWFOGSRNPRHSS-CQSZACIVSA-N 1 2 441.510 -0.742 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)o1 ZINC000488387736 1073586350 /nfs/dbraw/zinc/58/63/50/1073586350.db2.gz OIWFOGSRNPRHSS-CQSZACIVSA-N 1 2 441.510 -0.742 20 0 IBADLO O=C(NCCO)c1ccc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000488402452 1074353172 /nfs/dbraw/zinc/35/31/72/1074353172.db2.gz YZWCBOLYIFOTHT-UHFFFAOYSA-N 1 2 435.510 -0.842 20 0 IBADLO O=C(NCCO)c1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000488424451 1073586992 /nfs/dbraw/zinc/58/69/92/1073586992.db2.gz OKVZESLZNIBRNY-HNNXBMFYSA-N 1 2 428.497 -0.094 20 0 IBADLO O=C(NCCO)c1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000488424451 1073586980 /nfs/dbraw/zinc/58/69/80/1073586980.db2.gz OKVZESLZNIBRNY-HNNXBMFYSA-N 1 2 428.497 -0.094 20 0 IBADLO O=C(NCCO)c1ccc(N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000488424453 1073586857 /nfs/dbraw/zinc/58/68/57/1073586857.db2.gz OKVZESLZNIBRNY-OAHLLOKOSA-N 1 2 428.497 -0.094 20 0 IBADLO O=C(NCCO)c1ccc(N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000488424453 1073586847 /nfs/dbraw/zinc/58/68/47/1073586847.db2.gz OKVZESLZNIBRNY-OAHLLOKOSA-N 1 2 428.497 -0.094 20 0 IBADLO NC(=O)c1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000488477958 1073586897 /nfs/dbraw/zinc/58/68/97/1073586897.db2.gz MENSLXOQSPNKBC-UHFFFAOYSA-N 1 2 431.518 -0.009 20 0 IBADLO NC(=O)c1ccccc1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488495285 1073587148 /nfs/dbraw/zinc/58/71/48/1073587148.db2.gz ZVQXLBJKALVJEK-UHFFFAOYSA-N 1 2 431.518 -0.009 20 0 IBADLO O=C([C@H]1CCCO1)N1CC[NH+](CCOCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000488510507 1073587031 /nfs/dbraw/zinc/58/70/31/1073587031.db2.gz CLHZYPCWBOOIRN-BGYRXZFFSA-N 1 2 438.569 -0.351 20 0 IBADLO O=C([C@H]1CCCO1)N1CCN(CCOCC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000488510507 1073587019 /nfs/dbraw/zinc/58/70/19/1073587019.db2.gz CLHZYPCWBOOIRN-BGYRXZFFSA-N 1 2 438.569 -0.351 20 0 IBADLO O=C([C@@H]1CCCO1)N1CCN(CCOCC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000488510508 1073587177 /nfs/dbraw/zinc/58/71/77/1073587177.db2.gz CLHZYPCWBOOIRN-PMACEKPBSA-N 1 2 438.569 -0.351 20 0 IBADLO O=C([C@H]1CCCO1)N1CCN(CCOCC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000488510509 1073587560 /nfs/dbraw/zinc/58/75/60/1073587560.db2.gz CLHZYPCWBOOIRN-WOJBJXKFSA-N 1 2 438.569 -0.351 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)C[C@@H](C)O1 ZINC000488559143 1073587585 /nfs/dbraw/zinc/58/75/85/1073587585.db2.gz ATWDOHZGNFHFIF-BZUAXINKSA-N 1 2 426.543 -0.121 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)C[C@@H](C)O1 ZINC000488559145 1073587855 /nfs/dbraw/zinc/58/78/55/1073587855.db2.gz ATWDOHZGNFHFIF-OAGGEKHMSA-N 1 2 426.543 -0.121 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)C[C@H](C)O1 ZINC000488559147 1073587513 /nfs/dbraw/zinc/58/75/13/1073587513.db2.gz ATWDOHZGNFHFIF-OWCLPIDISA-N 1 2 426.543 -0.121 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)C[C@H](C)O1 ZINC000488559149 1073587689 /nfs/dbraw/zinc/58/76/89/1073587689.db2.gz ATWDOHZGNFHFIF-XHSDSOJGSA-N 1 2 426.543 -0.121 20 0 IBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000488643031 1073590435 /nfs/dbraw/zinc/59/04/35/1073590435.db2.gz LXXBVCYLDCDTRS-INIZCTEOSA-N 1 2 438.554 -0.204 20 0 IBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000488643034 1073590445 /nfs/dbraw/zinc/59/04/45/1073590445.db2.gz LXXBVCYLDCDTRS-MRXNPFEDSA-N 1 2 438.554 -0.204 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)ccn2)CC1 ZINC000488656395 1073591340 /nfs/dbraw/zinc/59/13/40/1073591340.db2.gz FCMGETPHPJDPIJ-UHFFFAOYSA-N 1 2 442.398 -0.402 20 0 IBADLO NS(=O)(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000488773021 1073593011 /nfs/dbraw/zinc/59/30/11/1073593011.db2.gz PFFBPFHLPWMDPR-UHFFFAOYSA-N 1 2 445.549 -0.405 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cs1 ZINC000488895667 1073596303 /nfs/dbraw/zinc/59/63/03/1073596303.db2.gz ZJOVCSOYYBKKQC-UHFFFAOYSA-N 1 2 445.611 -0.015 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cn3ncn(C)c3=O)cc2)CC1 ZINC000488940578 1073596914 /nfs/dbraw/zinc/59/69/14/1073596914.db2.gz WXNDPTNAYZGMOL-UHFFFAOYSA-N 1 2 430.509 -0.516 20 0 IBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000488950392 1073597529 /nfs/dbraw/zinc/59/75/29/1073597529.db2.gz WLFYPKRSTWNBDN-UHFFFAOYSA-N 1 2 438.510 -0.697 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000488980247 1073598178 /nfs/dbraw/zinc/59/81/78/1073598178.db2.gz NNDCAEZCUADRJY-KRWDZBQOSA-N 1 2 426.539 -0.038 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000488980247 1073598167 /nfs/dbraw/zinc/59/81/67/1073598167.db2.gz NNDCAEZCUADRJY-KRWDZBQOSA-N 1 2 426.539 -0.038 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000488980250 1073598079 /nfs/dbraw/zinc/59/80/79/1073598079.db2.gz NNDCAEZCUADRJY-QGZVFWFLSA-N 1 2 426.539 -0.038 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000488980250 1073598072 /nfs/dbraw/zinc/59/80/72/1073598072.db2.gz NNDCAEZCUADRJY-QGZVFWFLSA-N 1 2 426.539 -0.038 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000488986218 1073598141 /nfs/dbraw/zinc/59/81/41/1073598141.db2.gz RTMCCWZLPARVBZ-KRWDZBQOSA-N 1 2 440.570 -0.502 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000488986218 1073598133 /nfs/dbraw/zinc/59/81/33/1073598133.db2.gz RTMCCWZLPARVBZ-KRWDZBQOSA-N 1 2 440.570 -0.502 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000488986227 1073598266 /nfs/dbraw/zinc/59/82/66/1073598266.db2.gz RTMCCWZLPARVBZ-QGZVFWFLSA-N 1 2 440.570 -0.502 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000488986227 1073598254 /nfs/dbraw/zinc/59/82/54/1073598254.db2.gz RTMCCWZLPARVBZ-QGZVFWFLSA-N 1 2 440.570 -0.502 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000489008071 1073598662 /nfs/dbraw/zinc/59/86/62/1073598662.db2.gz GFCJHDYVCOCQDE-UHFFFAOYSA-N 1 2 449.537 -0.251 20 0 IBADLO CN(C(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1)C1CCCCC1 ZINC000489098245 1073601168 /nfs/dbraw/zinc/60/11/68/1073601168.db2.gz RSAZELSADBQDOU-UHFFFAOYSA-N 1 2 445.568 -0.158 20 0 IBADLO COC(=O)c1cn(CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000489098935 1073601293 /nfs/dbraw/zinc/60/12/93/1073601293.db2.gz BNOBJQXHIJQBAO-UHFFFAOYSA-N 1 2 430.469 -0.502 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCC2(CC1)NC(=O)NC2=O ZINC000489100502 1073601353 /nfs/dbraw/zinc/60/13/53/1073601353.db2.gz FCXJOLIWPMJUNC-UHFFFAOYSA-N 1 2 443.508 -0.060 20 0 IBADLO Cc1c(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000489125590 1073602006 /nfs/dbraw/zinc/60/20/06/1073602006.db2.gz FZLZMOAAGDVLND-UHFFFAOYSA-N 1 2 428.540 -0.446 20 0 IBADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000489152329 1073602728 /nfs/dbraw/zinc/60/27/28/1073602728.db2.gz XUQVZWKEGXXJKY-KRWDZBQOSA-N 1 2 431.559 -0.810 20 0 IBADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000489152329 1073602724 /nfs/dbraw/zinc/60/27/24/1073602724.db2.gz XUQVZWKEGXXJKY-KRWDZBQOSA-N 1 2 431.559 -0.810 20 0 IBADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000489152330 1073603168 /nfs/dbraw/zinc/60/31/68/1073603168.db2.gz XUQVZWKEGXXJKY-QGZVFWFLSA-N 1 2 431.559 -0.810 20 0 IBADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000489152330 1073603159 /nfs/dbraw/zinc/60/31/59/1073603159.db2.gz XUQVZWKEGXXJKY-QGZVFWFLSA-N 1 2 431.559 -0.810 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489192481 1073604801 /nfs/dbraw/zinc/60/48/01/1073604801.db2.gz AADFIGZQRDJXRS-AWEZNQCLSA-N 1 2 430.465 -0.431 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489192483 1073604496 /nfs/dbraw/zinc/60/44/96/1073604496.db2.gz AADFIGZQRDJXRS-CQSZACIVSA-N 1 2 430.465 -0.431 20 0 IBADLO COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489197503 1073604703 /nfs/dbraw/zinc/60/47/03/1073604703.db2.gz RWAHMWSTQHZVGH-AWEZNQCLSA-N 1 2 425.507 -0.238 20 0 IBADLO COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489197505 1073604723 /nfs/dbraw/zinc/60/47/23/1073604723.db2.gz RWAHMWSTQHZVGH-CQSZACIVSA-N 1 2 425.507 -0.238 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000489261969 1073606637 /nfs/dbraw/zinc/60/66/37/1073606637.db2.gz WPRHNHYUNUFRKZ-DLBZAZTESA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000489261970 1073606777 /nfs/dbraw/zinc/60/67/77/1073606777.db2.gz WPRHNHYUNUFRKZ-IAGOWNOFSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000489261971 1073606592 /nfs/dbraw/zinc/60/65/92/1073606592.db2.gz WPRHNHYUNUFRKZ-IRXDYDNUSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000489261972 1073606576 /nfs/dbraw/zinc/60/65/76/1073606576.db2.gz WPRHNHYUNUFRKZ-SJORKVTESA-N 1 2 428.555 -0.806 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608291 /nfs/dbraw/zinc/60/82/91/1073608291.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608288 /nfs/dbraw/zinc/60/82/88/1073608288.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608283 /nfs/dbraw/zinc/60/82/83/1073608283.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608280 /nfs/dbraw/zinc/60/82/80/1073608280.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608336 /nfs/dbraw/zinc/60/83/36/1073608336.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608332 /nfs/dbraw/zinc/60/83/32/1073608332.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608328 /nfs/dbraw/zinc/60/83/28/1073608328.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608327 /nfs/dbraw/zinc/60/83/27/1073608327.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000489317247 1073609019 /nfs/dbraw/zinc/60/90/19/1073609019.db2.gz DEWKGCORXLJUQY-PAGHIRBPSA-N 1 2 437.566 -0.284 20 0 IBADLO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000489317248 1073608818 /nfs/dbraw/zinc/60/88/18/1073608818.db2.gz DEWKGCORXLJUQY-WWYQSKBDSA-N 1 2 437.566 -0.284 20 0 IBADLO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000489317249 1073608733 /nfs/dbraw/zinc/60/87/33/1073608733.db2.gz DEWKGCORXLJUQY-YIKLWRCUSA-N 1 2 437.566 -0.284 20 0 IBADLO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000489317250 1073609033 /nfs/dbraw/zinc/60/90/33/1073609033.db2.gz DEWKGCORXLJUQY-ZVTLBMPISA-N 1 2 437.566 -0.284 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489388568 1073610459 /nfs/dbraw/zinc/61/04/59/1073610459.db2.gz GNDNOUWOPMYGGP-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)cn1 ZINC000489412070 1073611119 /nfs/dbraw/zinc/61/11/19/1073611119.db2.gz KDKQETJHUGRJOG-INIZCTEOSA-N 1 2 426.543 -0.264 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)cn1 ZINC000489412070 1073611114 /nfs/dbraw/zinc/61/11/14/1073611114.db2.gz KDKQETJHUGRJOG-INIZCTEOSA-N 1 2 426.543 -0.264 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)cn1 ZINC000489412071 1073611717 /nfs/dbraw/zinc/61/17/17/1073611717.db2.gz KDKQETJHUGRJOG-MRXNPFEDSA-N 1 2 426.543 -0.264 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)cn1 ZINC000489412071 1073611710 /nfs/dbraw/zinc/61/17/10/1073611710.db2.gz KDKQETJHUGRJOG-MRXNPFEDSA-N 1 2 426.543 -0.264 20 0 IBADLO CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000489535208 1073615886 /nfs/dbraw/zinc/61/58/86/1073615886.db2.gz QFSOUGVWSKNMLL-UHFFFAOYSA-N 1 2 439.542 -0.964 20 0 IBADLO CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000489535208 1073615877 /nfs/dbraw/zinc/61/58/77/1073615877.db2.gz QFSOUGVWSKNMLL-UHFFFAOYSA-N 1 2 439.542 -0.964 20 0 IBADLO COCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)Cc1ccnn1C ZINC000489893193 1073623046 /nfs/dbraw/zinc/62/30/46/1073623046.db2.gz WBINTCXFAUDRKU-UHFFFAOYSA-N 1 2 427.513 -0.106 20 0 IBADLO Cc1nc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)o1 ZINC000489953644 1073623745 /nfs/dbraw/zinc/62/37/45/1073623745.db2.gz DDWUQTAGCMCGHM-UHFFFAOYSA-N 1 2 443.508 -0.074 20 0 IBADLO Cc1nc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)o1 ZINC000489953644 1073623735 /nfs/dbraw/zinc/62/37/35/1073623735.db2.gz DDWUQTAGCMCGHM-UHFFFAOYSA-N 1 2 443.508 -0.074 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)NC1CCCCC1 ZINC000490368173 1073641238 /nfs/dbraw/zinc/64/12/38/1073641238.db2.gz NDYOERRCMXEBRO-IBGZPJMESA-N 1 2 449.596 -0.240 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)NC1CCCCC1 ZINC000490368182 1073641292 /nfs/dbraw/zinc/64/12/92/1073641292.db2.gz NDYOERRCMXEBRO-LJQANCHMSA-N 1 2 449.596 -0.240 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1)NC1CC1 ZINC000490379867 1073644396 /nfs/dbraw/zinc/64/43/96/1073644396.db2.gz URZMRTIKHDWPPF-UHFFFAOYSA-N 1 2 445.524 -0.743 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1)NC1CC1 ZINC000490379867 1073644390 /nfs/dbraw/zinc/64/43/90/1073644390.db2.gz URZMRTIKHDWPPF-UHFFFAOYSA-N 1 2 445.524 -0.743 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490382439 1073644522 /nfs/dbraw/zinc/64/45/22/1073644522.db2.gz XEMCHBMCNKGJIG-UHFFFAOYSA-N 1 2 447.540 -0.497 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490382439 1073644520 /nfs/dbraw/zinc/64/45/20/1073644520.db2.gz XEMCHBMCNKGJIG-UHFFFAOYSA-N 1 2 447.540 -0.497 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000490432995 1073648706 /nfs/dbraw/zinc/64/87/06/1073648706.db2.gz MXZAHCFKUMZHGD-HNNXBMFYSA-N 1 2 430.465 -0.149 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000490433004 1073648565 /nfs/dbraw/zinc/64/85/65/1073648565.db2.gz MXZAHCFKUMZHGD-OAHLLOKOSA-N 1 2 430.465 -0.149 20 0 IBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000490466726 1073650065 /nfs/dbraw/zinc/65/00/65/1073650065.db2.gz ZDQJUMDTFQWUCY-UHFFFAOYSA-N 1 2 432.568 -0.184 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000490499128 1073651972 /nfs/dbraw/zinc/65/19/72/1073651972.db2.gz INWOCAQYGNIGJZ-MDYRTPRTSA-N 1 2 432.525 -0.480 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000490499129 1073651935 /nfs/dbraw/zinc/65/19/35/1073651935.db2.gz INWOCAQYGNIGJZ-VPWXQRGCSA-N 1 2 432.525 -0.480 20 0 IBADLO Cn1c2ncn(CC[N@H+]3CCN(S(C)(=O)=O)c4ccccc4C3)c2c(=O)n(C)c1=O ZINC000490609479 1073655461 /nfs/dbraw/zinc/65/54/61/1073655461.db2.gz VCISFWDRXINDJS-UHFFFAOYSA-N 1 2 432.506 -0.285 20 0 IBADLO Cn1c2ncn(CC[N@@H+]3CCN(S(C)(=O)=O)c4ccccc4C3)c2c(=O)n(C)c1=O ZINC000490609479 1073655456 /nfs/dbraw/zinc/65/54/56/1073655456.db2.gz VCISFWDRXINDJS-UHFFFAOYSA-N 1 2 432.506 -0.285 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000491041251 1073669848 /nfs/dbraw/zinc/66/98/48/1073669848.db2.gz XBKFPBAXOGEWLK-AWEZNQCLSA-N 1 2 440.522 -0.063 20 0 IBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000491041254 1073669869 /nfs/dbraw/zinc/66/98/69/1073669869.db2.gz XBKFPBAXOGEWLK-CQSZACIVSA-N 1 2 440.522 -0.063 20 0 IBADLO COc1ccccc1C[N@@H+](CCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000491045805 1073669888 /nfs/dbraw/zinc/66/98/88/1073669888.db2.gz CGUFIMBIMVEFIA-UHFFFAOYSA-N 1 2 434.537 -0.508 20 0 IBADLO COc1ccccc1C[N@H+](CCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000491045805 1073669883 /nfs/dbraw/zinc/66/98/83/1073669883.db2.gz CGUFIMBIMVEFIA-UHFFFAOYSA-N 1 2 434.537 -0.508 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000491081786 1073669911 /nfs/dbraw/zinc/66/99/11/1073669911.db2.gz MSCYUVIHUWDPKI-UHFFFAOYSA-N 1 2 440.522 -0.563 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 ZINC000491097482 1073671949 /nfs/dbraw/zinc/67/19/49/1073671949.db2.gz APPGQQSQGRJVGH-UHFFFAOYSA-N 1 2 441.554 -0.268 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000491099127 1073671987 /nfs/dbraw/zinc/67/19/87/1073671987.db2.gz FCVZQBFTAFLJQT-UHFFFAOYSA-N 1 2 447.536 -0.522 20 0 IBADLO COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)CC1 ZINC000491156551 1073673954 /nfs/dbraw/zinc/67/39/54/1073673954.db2.gz OFSNESQPZGWXCU-UHFFFAOYSA-N 1 2 447.536 -0.188 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000491171467 1073674528 /nfs/dbraw/zinc/67/45/28/1073674528.db2.gz KJGOHHXWLWETTJ-UHFFFAOYSA-N 1 2 428.486 -0.005 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000491200730 1072250494 /nfs/dbraw/zinc/25/04/94/1072250494.db2.gz MFBYYABTUBEPAT-UHFFFAOYSA-N 1 2 434.493 -0.347 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000491204508 1072267955 /nfs/dbraw/zinc/26/79/55/1072267955.db2.gz ZWLLIUWCEKJUJQ-UHFFFAOYSA-N 1 2 440.522 -0.563 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 ZINC000491213067 1072394581 /nfs/dbraw/zinc/39/45/81/1072394581.db2.gz KYDWOYWXZHMYOE-UHFFFAOYSA-N 1 2 434.493 -0.103 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000491213276 1072393173 /nfs/dbraw/zinc/39/31/73/1072393173.db2.gz MHKXTOWWSGTDQJ-UHFFFAOYSA-N 1 2 433.509 -0.314 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000491214026 1072396170 /nfs/dbraw/zinc/39/61/70/1072396170.db2.gz RTRSYCQIEQSZSJ-UHFFFAOYSA-N 1 2 440.522 -0.135 20 0 IBADLO CCN1CCN(c2nc(N3CCOCC3)nc(N3CCN(CC)C(=O)[C@@H]3C)[nH+]2)[C@@H](C)C1=O ZINC000491227145 1072418612 /nfs/dbraw/zinc/41/86/12/1072418612.db2.gz ZHBLSXAKCAPGDZ-HOTGVXAUSA-N 1 2 446.556 -0.178 20 0 IBADLO CCN1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCN(CC)C(=O)[C@@H]3C)n2)[C@@H](C)C1=O ZINC000491227145 1072418605 /nfs/dbraw/zinc/41/86/05/1072418605.db2.gz ZHBLSXAKCAPGDZ-HOTGVXAUSA-N 1 2 446.556 -0.178 20 0 IBADLO CCN1CCN(c2nc(N3CCOCC3)nc(N3CCN(CC)C(=O)[C@H]3C)[nH+]2)[C@H](C)C1=O ZINC000491227146 1072418633 /nfs/dbraw/zinc/41/86/33/1072418633.db2.gz ZHBLSXAKCAPGDZ-HZPDHXFCSA-N 1 2 446.556 -0.178 20 0 IBADLO CCN1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCN(CC)C(=O)[C@H]3C)n2)[C@H](C)C1=O ZINC000491227146 1072418628 /nfs/dbraw/zinc/41/86/28/1072418628.db2.gz ZHBLSXAKCAPGDZ-HZPDHXFCSA-N 1 2 446.556 -0.178 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000491236006 1072434609 /nfs/dbraw/zinc/43/46/09/1072434609.db2.gz LWGAFDFCJCJTCI-UHFFFAOYSA-N 1 2 437.522 -0.114 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 ZINC000491236627 1072433315 /nfs/dbraw/zinc/43/33/15/1072433315.db2.gz NYYAKUAILXHGIX-UHFFFAOYSA-N 1 2 440.522 -0.135 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)CC1 ZINC000491236948 1072435158 /nfs/dbraw/zinc/43/51/58/1072435158.db2.gz PPPUIQFGWHGKOF-HNNXBMFYSA-N 1 2 442.538 -0.271 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)CC1 ZINC000491236953 1072435731 /nfs/dbraw/zinc/43/57/31/1072435731.db2.gz PPPUIQFGWHGKOF-OAHLLOKOSA-N 1 2 442.538 -0.271 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 ZINC000491238412 1072438257 /nfs/dbraw/zinc/43/82/57/1072438257.db2.gz VZRYOEXZRKJLSJ-UHFFFAOYSA-N 1 2 428.511 -0.325 20 0 IBADLO CCN1CCN(c2nc(NCCOC)nc(N3CCN(CC)C(=O)[C@@H]3C)[nH+]2)[C@@H](C)C1=O ZINC000491257778 1072450925 /nfs/dbraw/zinc/45/09/25/1072450925.db2.gz FVVYXCMIBBLJTM-GJZGRUSLSA-N 1 2 434.545 -0.534 20 0 IBADLO CCN1CCN(c2nc(NCCOC)[nH+]c(N3CCN(CC)C(=O)[C@@H]3C)n2)[C@@H](C)C1=O ZINC000491257778 1072450916 /nfs/dbraw/zinc/45/09/16/1072450916.db2.gz FVVYXCMIBBLJTM-GJZGRUSLSA-N 1 2 434.545 -0.534 20 0 IBADLO CCN1CCN(c2nc(NCCOC)nc(N3CCN(CC)C(=O)[C@H]3C)[nH+]2)[C@H](C)C1=O ZINC000491257779 1072451010 /nfs/dbraw/zinc/45/10/10/1072451010.db2.gz FVVYXCMIBBLJTM-HUUCEWRRSA-N 1 2 434.545 -0.534 20 0 IBADLO CCN1CCN(c2nc(NCCOC)[nH+]c(N3CCN(CC)C(=O)[C@H]3C)n2)[C@H](C)C1=O ZINC000491257779 1072451001 /nfs/dbraw/zinc/45/10/01/1072451001.db2.gz FVVYXCMIBBLJTM-HUUCEWRRSA-N 1 2 434.545 -0.534 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 ZINC000491261188 1072454417 /nfs/dbraw/zinc/45/44/17/1072454417.db2.gz XWPVXOYECKFWOL-UHFFFAOYSA-N 1 2 444.536 -0.131 20 0 IBADLO COCC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000491362447 1072581220 /nfs/dbraw/zinc/58/12/20/1072581220.db2.gz SEZZZTPZVGSZOI-UHFFFAOYSA-N 1 2 433.575 -0.751 20 0 IBADLO CC(C)CC1(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000491399612 1072582355 /nfs/dbraw/zinc/58/23/55/1072582355.db2.gz XLHCORWOLCDIOH-UHFFFAOYSA-N 1 2 443.614 -0.045 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000491572591 1072586924 /nfs/dbraw/zinc/58/69/24/1072586924.db2.gz NUZPPLCHRYXFBZ-HNNXBMFYSA-N 1 2 448.524 -0.024 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000491572592 1072587093 /nfs/dbraw/zinc/58/70/93/1072587093.db2.gz NUZPPLCHRYXFBZ-OAHLLOKOSA-N 1 2 448.524 -0.024 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000491575930 1072586984 /nfs/dbraw/zinc/58/69/84/1072586984.db2.gz SYSUVEHAQBPKBD-UHFFFAOYSA-N 1 2 426.466 -0.150 20 0 IBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491588002 1072588063 /nfs/dbraw/zinc/58/80/63/1072588063.db2.gz DKWLCUYVCXFGRQ-UHFFFAOYSA-N 1 2 432.568 -0.231 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000491650405 1072587948 /nfs/dbraw/zinc/58/79/48/1072587948.db2.gz XEKMSLKZZMFCGP-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000491650405 1072587940 /nfs/dbraw/zinc/58/79/40/1072587940.db2.gz XEKMSLKZZMFCGP-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000491716654 1072588609 /nfs/dbraw/zinc/58/86/09/1072588609.db2.gz DVNGZBQXQLSBMC-UHFFFAOYSA-N 1 2 448.505 -0.509 20 0 IBADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000491830431 1072589247 /nfs/dbraw/zinc/58/92/47/1072589247.db2.gz OZGSLVIYEMJGIY-UHFFFAOYSA-N 1 2 429.510 -0.057 20 0 IBADLO O=C(NCc1ccc(F)cn1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000492100214 1072591474 /nfs/dbraw/zinc/59/14/74/1072591474.db2.gz IOCDFRGUKWUWIO-UHFFFAOYSA-N 1 2 429.456 -0.188 20 0 IBADLO O=C(NCc1ccc(F)cn1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000492100214 1072591469 /nfs/dbraw/zinc/59/14/69/1072591469.db2.gz IOCDFRGUKWUWIO-UHFFFAOYSA-N 1 2 429.456 -0.188 20 0 IBADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000492253449 1072592662 /nfs/dbraw/zinc/59/26/62/1072592662.db2.gz POGWMYLUPLFDBH-UHFFFAOYSA-N 1 2 427.465 -0.139 20 0 IBADLO CCN1CCN(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(=O)C1=O ZINC000492601618 1072596801 /nfs/dbraw/zinc/59/68/01/1072596801.db2.gz LVTIWRICHDQRLE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C(=O)C1=O ZINC000492601618 1072596793 /nfs/dbraw/zinc/59/67/93/1072596793.db2.gz LVTIWRICHDQRLE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(=O)C1=O ZINC000492601619 1072596727 /nfs/dbraw/zinc/59/67/27/1072596727.db2.gz LVTIWRICHDQRLE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C(=O)C1=O ZINC000492601619 1072596717 /nfs/dbraw/zinc/59/67/17/1072596717.db2.gz LVTIWRICHDQRLE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)cc1OC ZINC000492630481 1072597359 /nfs/dbraw/zinc/59/73/59/1072597359.db2.gz QOAZQEARBKRCFJ-KRWDZBQOSA-N 1 2 445.520 -0.108 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)NC(=O)[C@H]4C3)CC2)cc1OC ZINC000492630482 1072597447 /nfs/dbraw/zinc/59/74/47/1072597447.db2.gz QOAZQEARBKRCFJ-QGZVFWFLSA-N 1 2 445.520 -0.108 20 0 IBADLO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492634268 1072597332 /nfs/dbraw/zinc/59/73/32/1072597332.db2.gz XVSZTWLNRJUXFK-INIZCTEOSA-N 1 2 438.492 -0.092 20 0 IBADLO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492634268 1072597321 /nfs/dbraw/zinc/59/73/21/1072597321.db2.gz XVSZTWLNRJUXFK-INIZCTEOSA-N 1 2 438.492 -0.092 20 0 IBADLO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492634269 1072597497 /nfs/dbraw/zinc/59/74/97/1072597497.db2.gz XVSZTWLNRJUXFK-MRXNPFEDSA-N 1 2 438.492 -0.092 20 0 IBADLO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492634269 1072597487 /nfs/dbraw/zinc/59/74/87/1072597487.db2.gz XVSZTWLNRJUXFK-MRXNPFEDSA-N 1 2 438.492 -0.092 20 0 IBADLO O=C(CCN1CCCS1(=O)=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492675857 1072598357 /nfs/dbraw/zinc/59/83/57/1072598357.db2.gz BBGRFZTYOHUHEK-INIZCTEOSA-N 1 2 438.554 -0.176 20 0 IBADLO O=C(CCN1CCCS1(=O)=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492675857 1072598354 /nfs/dbraw/zinc/59/83/54/1072598354.db2.gz BBGRFZTYOHUHEK-INIZCTEOSA-N 1 2 438.554 -0.176 20 0 IBADLO O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492675879 1072598471 /nfs/dbraw/zinc/59/84/71/1072598471.db2.gz BBGRFZTYOHUHEK-MRXNPFEDSA-N 1 2 438.554 -0.176 20 0 IBADLO O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492675879 1072598461 /nfs/dbraw/zinc/59/84/61/1072598461.db2.gz BBGRFZTYOHUHEK-MRXNPFEDSA-N 1 2 438.554 -0.176 20 0 IBADLO COCCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492700519 1072599020 /nfs/dbraw/zinc/59/90/20/1072599020.db2.gz GUOFGFNXKYYLPI-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492700519 1072599013 /nfs/dbraw/zinc/59/90/13/1072599013.db2.gz GUOFGFNXKYYLPI-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492700520 1072598961 /nfs/dbraw/zinc/59/89/61/1072598961.db2.gz GUOFGFNXKYYLPI-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492700520 1072598952 /nfs/dbraw/zinc/59/89/52/1072598952.db2.gz GUOFGFNXKYYLPI-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492700521 1072598824 /nfs/dbraw/zinc/59/88/24/1072598824.db2.gz GUOFGFNXKYYLPI-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492700521 1072598815 /nfs/dbraw/zinc/59/88/15/1072598815.db2.gz GUOFGFNXKYYLPI-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492700522 1072599112 /nfs/dbraw/zinc/59/91/12/1072599112.db2.gz GUOFGFNXKYYLPI-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO COCCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492700522 1072599105 /nfs/dbraw/zinc/59/91/05/1072599105.db2.gz GUOFGFNXKYYLPI-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000492756639 1072599501 /nfs/dbraw/zinc/59/95/01/1072599501.db2.gz KIEBJVDHGMTXHQ-AWEZNQCLSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000492756639 1072599496 /nfs/dbraw/zinc/59/94/96/1072599496.db2.gz KIEBJVDHGMTXHQ-AWEZNQCLSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000492756640 1072599433 /nfs/dbraw/zinc/59/94/33/1072599433.db2.gz KIEBJVDHGMTXHQ-CQSZACIVSA-N 1 2 431.497 -0.271 20 0 IBADLO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000492756640 1072599425 /nfs/dbraw/zinc/59/94/25/1072599425.db2.gz KIEBJVDHGMTXHQ-CQSZACIVSA-N 1 2 431.497 -0.271 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492785802 1072600448 /nfs/dbraw/zinc/60/04/48/1072600448.db2.gz VQTWKYOUCPAHFN-INIZCTEOSA-N 1 2 438.554 -0.871 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492785802 1072600441 /nfs/dbraw/zinc/60/04/41/1072600441.db2.gz VQTWKYOUCPAHFN-INIZCTEOSA-N 1 2 438.554 -0.871 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492785803 1072600471 /nfs/dbraw/zinc/60/04/71/1072600471.db2.gz VQTWKYOUCPAHFN-MRXNPFEDSA-N 1 2 438.554 -0.871 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492785803 1072600464 /nfs/dbraw/zinc/60/04/64/1072600464.db2.gz VQTWKYOUCPAHFN-MRXNPFEDSA-N 1 2 438.554 -0.871 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000492785992 1072600688 /nfs/dbraw/zinc/60/06/88/1072600688.db2.gz WLZACAWJUCIYFA-HNNXBMFYSA-N 1 2 443.512 -0.608 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000492785992 1072600685 /nfs/dbraw/zinc/60/06/85/1072600685.db2.gz WLZACAWJUCIYFA-HNNXBMFYSA-N 1 2 443.512 -0.608 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000492785993 1072600671 /nfs/dbraw/zinc/60/06/71/1072600671.db2.gz WLZACAWJUCIYFA-OAHLLOKOSA-N 1 2 443.512 -0.608 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000492785993 1072600665 /nfs/dbraw/zinc/60/06/65/1072600665.db2.gz WLZACAWJUCIYFA-OAHLLOKOSA-N 1 2 443.512 -0.608 20 0 IBADLO O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492809641 1072600528 /nfs/dbraw/zinc/60/05/28/1072600528.db2.gz QDTYODVXMAEQCS-HNNXBMFYSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492809641 1072600523 /nfs/dbraw/zinc/60/05/23/1072600523.db2.gz QDTYODVXMAEQCS-HNNXBMFYSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492809643 1072600703 /nfs/dbraw/zinc/60/07/03/1072600703.db2.gz QDTYODVXMAEQCS-OAHLLOKOSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492809643 1072600700 /nfs/dbraw/zinc/60/07/00/1072600700.db2.gz QDTYODVXMAEQCS-OAHLLOKOSA-N 1 2 431.497 -0.270 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492852330 1072601495 /nfs/dbraw/zinc/60/14/95/1072601495.db2.gz NOOWTGCTSQIINA-KRWDZBQOSA-N 1 2 433.557 -0.145 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492852330 1072601492 /nfs/dbraw/zinc/60/14/92/1072601492.db2.gz NOOWTGCTSQIINA-KRWDZBQOSA-N 1 2 433.557 -0.145 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492852331 1072601352 /nfs/dbraw/zinc/60/13/52/1072601352.db2.gz NOOWTGCTSQIINA-QGZVFWFLSA-N 1 2 433.557 -0.145 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492852331 1072601345 /nfs/dbraw/zinc/60/13/45/1072601345.db2.gz NOOWTGCTSQIINA-QGZVFWFLSA-N 1 2 433.557 -0.145 20 0 IBADLO COCCNC(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000493102837 1072602614 /nfs/dbraw/zinc/60/26/14/1072602614.db2.gz GHVLOJCHXUGIMQ-UHFFFAOYSA-N 1 2 426.543 -0.928 20 0 IBADLO O=C(CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1CCN(c2cccc[nH+]2)CC1 ZINC000493251601 1072604676 /nfs/dbraw/zinc/60/46/76/1072604676.db2.gz VCRXGEPMEXBVLO-ZWKOTPCHSA-N 1 2 445.520 -0.357 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000493766604 1072611438 /nfs/dbraw/zinc/61/14/38/1072611438.db2.gz KDGGEWZWQBSQRA-UHFFFAOYSA-N 1 2 432.481 -0.860 20 0 IBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000493899515 1072613606 /nfs/dbraw/zinc/61/36/06/1072613606.db2.gz FFSZEXXJSPLWJG-UHFFFAOYSA-N 1 2 447.579 -0.167 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000493942732 1072614206 /nfs/dbraw/zinc/61/42/06/1072614206.db2.gz BFUSCNHOXNGEDI-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000493942733 1072614304 /nfs/dbraw/zinc/61/43/04/1072614304.db2.gz BFUSCNHOXNGEDI-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C[C@@H](C)O1 ZINC000493969839 1072615671 /nfs/dbraw/zinc/61/56/71/1072615671.db2.gz PJQJJCKRKZPTKN-JFIYKMOQSA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C[C@@H](C)O1 ZINC000493969839 1072615668 /nfs/dbraw/zinc/61/56/68/1072615668.db2.gz PJQJJCKRKZPTKN-JFIYKMOQSA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C[C@H](C)O1 ZINC000493969840 1072615641 /nfs/dbraw/zinc/61/56/41/1072615641.db2.gz PJQJJCKRKZPTKN-JZXOWHBKSA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C[C@H](C)O1 ZINC000493969840 1072615636 /nfs/dbraw/zinc/61/56/36/1072615636.db2.gz PJQJJCKRKZPTKN-JZXOWHBKSA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C[C@@H](C)O1 ZINC000493969841 1072615518 /nfs/dbraw/zinc/61/55/18/1072615518.db2.gz PJQJJCKRKZPTKN-NUJGCVRESA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C[C@@H](C)O1 ZINC000493969841 1072615510 /nfs/dbraw/zinc/61/55/10/1072615510.db2.gz PJQJJCKRKZPTKN-NUJGCVRESA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C[C@H](C)O1 ZINC000493969842 1072615628 /nfs/dbraw/zinc/61/56/28/1072615628.db2.gz PJQJJCKRKZPTKN-SOLBZPMBSA-N 1 2 445.586 -0.469 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C[C@H](C)O1 ZINC000493969842 1072615624 /nfs/dbraw/zinc/61/56/24/1072615624.db2.gz PJQJJCKRKZPTKN-SOLBZPMBSA-N 1 2 445.586 -0.469 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1n1cccn1 ZINC000494070464 1072619233 /nfs/dbraw/zinc/61/92/33/1072619233.db2.gz AHPLTIWATQFNSG-KSZLIROESA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1n1cccn1 ZINC000494070465 1072619273 /nfs/dbraw/zinc/61/92/73/1072619273.db2.gz AHPLTIWATQFNSG-KURKYZTESA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H]1n1cccn1 ZINC000494070466 1072619089 /nfs/dbraw/zinc/61/90/89/1072619089.db2.gz AHPLTIWATQFNSG-KZNAEPCWSA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H]1n1cccn1 ZINC000494070467 1072619186 /nfs/dbraw/zinc/61/91/86/1072619186.db2.gz AHPLTIWATQFNSG-RCCFBDPRSA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1n1cccn1 ZINC000494074126 1072619262 /nfs/dbraw/zinc/61/92/62/1072619262.db2.gz VGKUCJUGACUXPR-JFIYKMOQSA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1n1cccn1 ZINC000494074127 1073343522 /nfs/dbraw/zinc/34/35/22/1073343522.db2.gz VGKUCJUGACUXPR-JZXOWHBKSA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1n1cccn1 ZINC000494074128 1072619249 /nfs/dbraw/zinc/61/92/49/1072619249.db2.gz VGKUCJUGACUXPR-LZLYRXPVSA-N 1 2 431.497 -0.115 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1n1cccn1 ZINC000494074129 1073342893 /nfs/dbraw/zinc/34/28/93/1073342893.db2.gz VGKUCJUGACUXPR-NUJGCVRESA-N 1 2 431.497 -0.115 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)cn1C ZINC000494229336 1072624575 /nfs/dbraw/zinc/62/45/75/1072624575.db2.gz BUWRPXPYHNDGQJ-INIZCTEOSA-N 1 2 426.543 -0.392 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)cn1C ZINC000494229336 1072624571 /nfs/dbraw/zinc/62/45/71/1072624571.db2.gz BUWRPXPYHNDGQJ-INIZCTEOSA-N 1 2 426.543 -0.392 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)cn1C ZINC000494229337 1072624466 /nfs/dbraw/zinc/62/44/66/1072624466.db2.gz BUWRPXPYHNDGQJ-MRXNPFEDSA-N 1 2 426.543 -0.392 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)cn1C ZINC000494229337 1072624460 /nfs/dbraw/zinc/62/44/60/1072624460.db2.gz BUWRPXPYHNDGQJ-MRXNPFEDSA-N 1 2 426.543 -0.392 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494693083 1072641023 /nfs/dbraw/zinc/64/10/23/1072641023.db2.gz ZKYYHPQHSBFKRW-INIZCTEOSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494693083 1072641017 /nfs/dbraw/zinc/64/10/17/1072641017.db2.gz ZKYYHPQHSBFKRW-INIZCTEOSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494693084 1072641005 /nfs/dbraw/zinc/64/10/05/1072641005.db2.gz ZKYYHPQHSBFKRW-MRXNPFEDSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494693084 1072641002 /nfs/dbraw/zinc/64/10/02/1072641002.db2.gz ZKYYHPQHSBFKRW-MRXNPFEDSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723500 1072642248 /nfs/dbraw/zinc/64/22/48/1072642248.db2.gz WKLGOUILSDXPGX-GUTXKFCHSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723500 1072642242 /nfs/dbraw/zinc/64/22/42/1072642242.db2.gz WKLGOUILSDXPGX-GUTXKFCHSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723501 1072642197 /nfs/dbraw/zinc/64/21/97/1072642197.db2.gz WKLGOUILSDXPGX-IPYPFGDCSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723501 1072642192 /nfs/dbraw/zinc/64/21/92/1072642192.db2.gz WKLGOUILSDXPGX-IPYPFGDCSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723502 1072642323 /nfs/dbraw/zinc/64/23/23/1072642323.db2.gz WKLGOUILSDXPGX-NFAWXSAZSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723502 1072642319 /nfs/dbraw/zinc/64/23/19/1072642319.db2.gz WKLGOUILSDXPGX-NFAWXSAZSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723503 1072642266 /nfs/dbraw/zinc/64/22/66/1072642266.db2.gz WKLGOUILSDXPGX-YDHLFZDLSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000494723503 1072642258 /nfs/dbraw/zinc/64/22/58/1072642258.db2.gz WKLGOUILSDXPGX-YDHLFZDLSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494730218 1072642218 /nfs/dbraw/zinc/64/22/18/1072642218.db2.gz PXYNSQPQRXPVER-AWEZNQCLSA-N 1 2 436.542 -0.975 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494730218 1072642215 /nfs/dbraw/zinc/64/22/15/1072642215.db2.gz PXYNSQPQRXPVER-AWEZNQCLSA-N 1 2 436.542 -0.975 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494730219 1072642351 /nfs/dbraw/zinc/64/23/51/1072642351.db2.gz PXYNSQPQRXPVER-CQSZACIVSA-N 1 2 436.542 -0.975 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000494730219 1072642344 /nfs/dbraw/zinc/64/23/44/1072642344.db2.gz PXYNSQPQRXPVER-CQSZACIVSA-N 1 2 436.542 -0.975 20 0 IBADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000494730653 1072642230 /nfs/dbraw/zinc/64/22/30/1072642230.db2.gz VSSLFHHJGMOEFL-KRWDZBQOSA-N 1 2 441.554 -0.020 20 0 IBADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000494730654 1072642296 /nfs/dbraw/zinc/64/22/96/1072642296.db2.gz VSSLFHHJGMOEFL-QGZVFWFLSA-N 1 2 441.554 -0.020 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)c(=O)[nH]c1=O ZINC000494732696 1072643002 /nfs/dbraw/zinc/64/30/02/1072643002.db2.gz BHMYLUOWFMYCCO-CYBMUJFWSA-N 1 2 444.558 -0.302 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)c(=O)[nH]c1=O ZINC000494732696 1072642995 /nfs/dbraw/zinc/64/29/95/1072642995.db2.gz BHMYLUOWFMYCCO-CYBMUJFWSA-N 1 2 444.558 -0.302 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)c(=O)[nH]c1=O ZINC000494732697 1072643117 /nfs/dbraw/zinc/64/31/17/1072643117.db2.gz BHMYLUOWFMYCCO-ZDUSSCGKSA-N 1 2 444.558 -0.302 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)c(=O)[nH]c1=O ZINC000494732697 1072643112 /nfs/dbraw/zinc/64/31/12/1072643112.db2.gz BHMYLUOWFMYCCO-ZDUSSCGKSA-N 1 2 444.558 -0.302 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494733163 1072642954 /nfs/dbraw/zinc/64/29/54/1072642954.db2.gz CZLMENWKYSCTDF-GOSISDBHSA-N 1 2 438.550 -0.211 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494733163 1072642950 /nfs/dbraw/zinc/64/29/50/1072642950.db2.gz CZLMENWKYSCTDF-GOSISDBHSA-N 1 2 438.550 -0.211 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494733164 1072643274 /nfs/dbraw/zinc/64/32/74/1072643274.db2.gz CZLMENWKYSCTDF-SFHVURJKSA-N 1 2 438.550 -0.211 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494733164 1072643270 /nfs/dbraw/zinc/64/32/70/1072643270.db2.gz CZLMENWKYSCTDF-SFHVURJKSA-N 1 2 438.550 -0.211 20 0 IBADLO CN(C)CCn1ccc(=NC(=O)[C@@H]2CC[C@@H](C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)O2)[nH]1 ZINC000494837232 1072648575 /nfs/dbraw/zinc/64/85/75/1072648575.db2.gz OCBBSXMUQXQMBI-HOTGVXAUSA-N 1 2 432.529 -0.829 20 0 IBADLO CN(C)CCn1ccc(=NC(=O)[C@H]2CC[C@H](C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)O2)[nH]1 ZINC000494837234 1072648697 /nfs/dbraw/zinc/64/86/97/1072648697.db2.gz OCBBSXMUQXQMBI-HZPDHXFCSA-N 1 2 432.529 -0.829 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494870223 1072649414 /nfs/dbraw/zinc/64/94/14/1072649414.db2.gz GZEYAESABINTJU-CVEARBPZSA-N 1 2 448.524 -0.124 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494870224 1072649218 /nfs/dbraw/zinc/64/92/18/1072649218.db2.gz GZEYAESABINTJU-HOTGVXAUSA-N 1 2 448.524 -0.124 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494870225 1072649276 /nfs/dbraw/zinc/64/92/76/1072649276.db2.gz GZEYAESABINTJU-HZPDHXFCSA-N 1 2 448.524 -0.124 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494870226 1072649377 /nfs/dbraw/zinc/64/93/77/1072649377.db2.gz GZEYAESABINTJU-JKSUJKDBSA-N 1 2 448.524 -0.124 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCc3nnn(C)n3)cc2)CC1 ZINC000494893049 1072649796 /nfs/dbraw/zinc/64/97/96/1072649796.db2.gz VLPQYQAEXPXDEO-UHFFFAOYSA-N 1 2 430.513 -0.205 20 0 IBADLO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495038081 1072655452 /nfs/dbraw/zinc/65/54/52/1072655452.db2.gz NLSQWIUYZVSXAV-UHFFFAOYSA-N 1 2 436.542 -0.836 20 0 IBADLO O=C(CNC(=O)c1cccc(O)c1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000495038208 1072655306 /nfs/dbraw/zinc/65/53/06/1072655306.db2.gz VCUXAZSMCYXTMR-UHFFFAOYSA-N 1 2 447.517 -0.215 20 0 IBADLO CCn1cc(-c2n[nH]cc2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000495041135 1072656067 /nfs/dbraw/zinc/65/60/67/1072656067.db2.gz DXZUSJIQZQFIKY-UHFFFAOYSA-N 1 2 436.542 -0.457 20 0 IBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000495044933 1072658790 /nfs/dbraw/zinc/65/87/90/1072658790.db2.gz LIRDZGNAFKASKA-UHFFFAOYSA-N 1 2 439.534 -0.091 20 0 IBADLO CC[C@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000495196048 1072664082 /nfs/dbraw/zinc/66/40/82/1072664082.db2.gz WZRCSXJNHWMJOE-KRWDZBQOSA-N 1 2 433.575 -0.562 20 0 IBADLO CC[C@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000495196048 1072664080 /nfs/dbraw/zinc/66/40/80/1072664080.db2.gz WZRCSXJNHWMJOE-KRWDZBQOSA-N 1 2 433.575 -0.562 20 0 IBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000495196054 1072663972 /nfs/dbraw/zinc/66/39/72/1072663972.db2.gz WZRCSXJNHWMJOE-QGZVFWFLSA-N 1 2 433.575 -0.562 20 0 IBADLO CC[C@@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000495196054 1072663969 /nfs/dbraw/zinc/66/39/69/1072663969.db2.gz WZRCSXJNHWMJOE-QGZVFWFLSA-N 1 2 433.575 -0.562 20 0 IBADLO Cn1c2ccc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc2n(C)c1=O ZINC000495198887 1072665157 /nfs/dbraw/zinc/66/51/57/1072665157.db2.gz CKZSIPYJKJKPRS-UHFFFAOYSA-N 1 2 442.520 -0.028 20 0 IBADLO Cn1c2ccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc2n(C)c1=O ZINC000495198887 1072665154 /nfs/dbraw/zinc/66/51/54/1072665154.db2.gz CKZSIPYJKJKPRS-UHFFFAOYSA-N 1 2 442.520 -0.028 20 0 IBADLO O=C(NCCC(=O)N1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495200774 1072665088 /nfs/dbraw/zinc/66/50/88/1072665088.db2.gz KJCFCXHHDQTFAW-KRWDZBQOSA-N 1 2 447.540 -0.170 20 0 IBADLO O=C(NCCC(=O)N1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495200774 1072665083 /nfs/dbraw/zinc/66/50/83/1072665083.db2.gz KJCFCXHHDQTFAW-KRWDZBQOSA-N 1 2 447.540 -0.170 20 0 IBADLO O=C(NCCC(=O)N1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495200775 1072665053 /nfs/dbraw/zinc/66/50/53/1072665053.db2.gz KJCFCXHHDQTFAW-QGZVFWFLSA-N 1 2 447.540 -0.170 20 0 IBADLO O=C(NCCC(=O)N1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495200775 1072665049 /nfs/dbraw/zinc/66/50/49/1072665049.db2.gz KJCFCXHHDQTFAW-QGZVFWFLSA-N 1 2 447.540 -0.170 20 0 IBADLO CC[C@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCO1 ZINC000495231381 1072667780 /nfs/dbraw/zinc/66/77/80/1072667780.db2.gz HSCWYHRZGFGWGX-INIZCTEOSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCO1 ZINC000495231381 1072667775 /nfs/dbraw/zinc/66/77/75/1072667775.db2.gz HSCWYHRZGFGWGX-INIZCTEOSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCO1 ZINC000495231382 1072667761 /nfs/dbraw/zinc/66/77/61/1072667761.db2.gz HSCWYHRZGFGWGX-MRXNPFEDSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCO1 ZINC000495231382 1072667757 /nfs/dbraw/zinc/66/77/57/1072667757.db2.gz HSCWYHRZGFGWGX-MRXNPFEDSA-N 1 2 428.559 -0.017 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000495235711 1072667860 /nfs/dbraw/zinc/66/78/60/1072667860.db2.gz DDYDBXYJSADREB-UHFFFAOYSA-N 1 2 449.475 -0.159 20 0 IBADLO CS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495238176 1072668431 /nfs/dbraw/zinc/66/84/31/1072668431.db2.gz KPSOHXQVVXHYDH-AWEZNQCLSA-N 1 2 427.531 -0.870 20 0 IBADLO CS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495238176 1072668424 /nfs/dbraw/zinc/66/84/24/1072668424.db2.gz KPSOHXQVVXHYDH-AWEZNQCLSA-N 1 2 427.531 -0.870 20 0 IBADLO CS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495238177 1072668386 /nfs/dbraw/zinc/66/83/86/1072668386.db2.gz KPSOHXQVVXHYDH-CQSZACIVSA-N 1 2 427.531 -0.870 20 0 IBADLO CS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495238177 1072668383 /nfs/dbraw/zinc/66/83/83/1072668383.db2.gz KPSOHXQVVXHYDH-CQSZACIVSA-N 1 2 427.531 -0.870 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271025 1072671148 /nfs/dbraw/zinc/67/11/48/1072671148.db2.gz BPOVSNQCMLVURR-HNNXBMFYSA-N 1 2 441.558 -0.480 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271025 1072671144 /nfs/dbraw/zinc/67/11/44/1072671144.db2.gz BPOVSNQCMLVURR-HNNXBMFYSA-N 1 2 441.558 -0.480 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271026 1072670898 /nfs/dbraw/zinc/67/08/98/1072670898.db2.gz BPOVSNQCMLVURR-OAHLLOKOSA-N 1 2 441.558 -0.480 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271026 1072670890 /nfs/dbraw/zinc/67/08/90/1072670890.db2.gz BPOVSNQCMLVURR-OAHLLOKOSA-N 1 2 441.558 -0.480 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C(N)=O ZINC000495273135 1072670298 /nfs/dbraw/zinc/67/02/98/1072670298.db2.gz UQIVQAOKEJGGTO-AWEZNQCLSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1C(N)=O ZINC000495273135 1072670294 /nfs/dbraw/zinc/67/02/94/1072670294.db2.gz UQIVQAOKEJGGTO-AWEZNQCLSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C(N)=O ZINC000495273136 1072670271 /nfs/dbraw/zinc/67/02/71/1072670271.db2.gz UQIVQAOKEJGGTO-CQSZACIVSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1C(N)=O ZINC000495273136 1072670266 /nfs/dbraw/zinc/67/02/66/1072670266.db2.gz UQIVQAOKEJGGTO-CQSZACIVSA-N 1 2 449.537 -0.302 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)o1 ZINC000495289589 1072672631 /nfs/dbraw/zinc/67/26/31/1072672631.db2.gz XCNDIGMTGMJSJI-CYBMUJFWSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)o1 ZINC000495289589 1072672624 /nfs/dbraw/zinc/67/26/24/1072672624.db2.gz XCNDIGMTGMJSJI-CYBMUJFWSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)o1 ZINC000495289590 1072672683 /nfs/dbraw/zinc/67/26/83/1072672683.db2.gz XCNDIGMTGMJSJI-ZDUSSCGKSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)o1 ZINC000495289590 1072672675 /nfs/dbraw/zinc/67/26/75/1072672675.db2.gz XCNDIGMTGMJSJI-ZDUSSCGKSA-N 1 2 436.494 -0.048 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495289594 1072672655 /nfs/dbraw/zinc/67/26/55/1072672655.db2.gz XDXZOTZMGSMZNT-HNNXBMFYSA-N 1 2 446.512 -0.477 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495289594 1072672647 /nfs/dbraw/zinc/67/26/47/1072672647.db2.gz XDXZOTZMGSMZNT-HNNXBMFYSA-N 1 2 446.512 -0.477 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495289595 1072672606 /nfs/dbraw/zinc/67/26/06/1072672606.db2.gz XDXZOTZMGSMZNT-OAHLLOKOSA-N 1 2 446.512 -0.477 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495289595 1072672596 /nfs/dbraw/zinc/67/25/96/1072672596.db2.gz XDXZOTZMGSMZNT-OAHLLOKOSA-N 1 2 446.512 -0.477 20 0 IBADLO CCCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000495339714 1072677929 /nfs/dbraw/zinc/67/79/29/1072677929.db2.gz BHGDLNYCMSPTEK-UHFFFAOYSA-N 1 2 429.587 -0.339 20 0 IBADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495339823 1072676728 /nfs/dbraw/zinc/67/67/28/1072676728.db2.gz DRVWLIXZMJYUFO-CYBMUJFWSA-N 1 2 444.587 -0.875 20 0 IBADLO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495339824 1072677389 /nfs/dbraw/zinc/67/73/89/1072677389.db2.gz DRVWLIXZMJYUFO-ZDUSSCGKSA-N 1 2 444.587 -0.875 20 0 IBADLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340595 1072676671 /nfs/dbraw/zinc/67/66/71/1072676671.db2.gz VLTJGZLGNAPYMJ-INIZCTEOSA-N 1 2 429.587 -0.292 20 0 IBADLO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340596 1072676871 /nfs/dbraw/zinc/67/68/71/1072676871.db2.gz VLTJGZLGNAPYMJ-MRXNPFEDSA-N 1 2 429.587 -0.292 20 0 IBADLO CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340703 1072676767 /nfs/dbraw/zinc/67/67/67/1072676767.db2.gz XVMMIGKXUBDHJR-QGZVFWFLSA-N 1 2 429.587 -0.196 20 0 IBADLO COCC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495405870 1072681366 /nfs/dbraw/zinc/68/13/66/1072681366.db2.gz CIOGZGIUAKVNAM-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO COCC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495405870 1072681363 /nfs/dbraw/zinc/68/13/63/1072681363.db2.gz CIOGZGIUAKVNAM-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO COCC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495405871 1072681385 /nfs/dbraw/zinc/68/13/85/1072681385.db2.gz CIOGZGIUAKVNAM-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO COCC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495405871 1072681382 /nfs/dbraw/zinc/68/13/82/1072681382.db2.gz CIOGZGIUAKVNAM-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000495405995 1072681467 /nfs/dbraw/zinc/68/14/67/1072681467.db2.gz DKBOASDQNKIAQX-CVEARBPZSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000495405995 1072681464 /nfs/dbraw/zinc/68/14/64/1072681464.db2.gz DKBOASDQNKIAQX-CVEARBPZSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000495405996 1072681483 /nfs/dbraw/zinc/68/14/83/1072681483.db2.gz DKBOASDQNKIAQX-HOTGVXAUSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000495405996 1072681479 /nfs/dbraw/zinc/68/14/79/1072681479.db2.gz DKBOASDQNKIAQX-HOTGVXAUSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000495405997 1072681422 /nfs/dbraw/zinc/68/14/22/1072681422.db2.gz DKBOASDQNKIAQX-HZPDHXFCSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000495405997 1072681417 /nfs/dbraw/zinc/68/14/17/1072681417.db2.gz DKBOASDQNKIAQX-HZPDHXFCSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000495405998 1072681352 /nfs/dbraw/zinc/68/13/52/1072681352.db2.gz DKBOASDQNKIAQX-JKSUJKDBSA-N 1 2 434.497 -0.135 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000495405998 1072681348 /nfs/dbraw/zinc/68/13/48/1072681348.db2.gz DKBOASDQNKIAQX-JKSUJKDBSA-N 1 2 434.497 -0.135 20 0 IBADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495422063 1072682189 /nfs/dbraw/zinc/68/21/89/1072682189.db2.gz XTSPDRUIBAQUJV-KRWDZBQOSA-N 1 2 447.540 -0.569 20 0 IBADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495422063 1072682184 /nfs/dbraw/zinc/68/21/84/1072682184.db2.gz XTSPDRUIBAQUJV-KRWDZBQOSA-N 1 2 447.540 -0.569 20 0 IBADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495422064 1072682035 /nfs/dbraw/zinc/68/20/35/1072682035.db2.gz XTSPDRUIBAQUJV-QGZVFWFLSA-N 1 2 447.540 -0.569 20 0 IBADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495422064 1072682031 /nfs/dbraw/zinc/68/20/31/1072682031.db2.gz XTSPDRUIBAQUJV-QGZVFWFLSA-N 1 2 447.540 -0.569 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495426126 1072682087 /nfs/dbraw/zinc/68/20/87/1072682087.db2.gz JQANYJDIOHQWSR-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495426126 1072682082 /nfs/dbraw/zinc/68/20/82/1072682082.db2.gz JQANYJDIOHQWSR-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495426127 1072682242 /nfs/dbraw/zinc/68/22/42/1072682242.db2.gz JQANYJDIOHQWSR-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495426127 1072682239 /nfs/dbraw/zinc/68/22/39/1072682239.db2.gz JQANYJDIOHQWSR-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1F ZINC000496538571 1072733091 /nfs/dbraw/zinc/73/30/91/1072733091.db2.gz VPQSQVFQCJBGGK-AWEZNQCLSA-N 1 2 442.517 -0.966 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1F ZINC000496538572 1072733251 /nfs/dbraw/zinc/73/32/51/1072733251.db2.gz VPQSQVFQCJBGGK-CQSZACIVSA-N 1 2 442.517 -0.966 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC000496933525 1072740708 /nfs/dbraw/zinc/74/07/08/1072740708.db2.gz VWXMVYUFHJGIHK-HNNXBMFYSA-N 1 2 439.494 -0.498 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC000496933525 1072740698 /nfs/dbraw/zinc/74/06/98/1072740698.db2.gz VWXMVYUFHJGIHK-HNNXBMFYSA-N 1 2 439.494 -0.498 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000496944471 1072740594 /nfs/dbraw/zinc/74/05/94/1072740594.db2.gz KRLVFGQIWAEJDP-WMLDXEAASA-N 1 2 442.538 -0.537 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000496944473 1072740499 /nfs/dbraw/zinc/74/04/99/1072740499.db2.gz KRLVFGQIWAEJDP-YOEHRIQHSA-N 1 2 442.538 -0.537 20 0 IBADLO Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000496944474 1072740442 /nfs/dbraw/zinc/74/04/42/1072740442.db2.gz KSKLCKVIDBGVEK-GOSISDBHSA-N 1 2 441.550 -0.219 20 0 IBADLO Cc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000496944476 1072740514 /nfs/dbraw/zinc/74/05/14/1072740514.db2.gz KSKLCKVIDBGVEK-SFHVURJKSA-N 1 2 441.550 -0.219 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000496955918 1072740640 /nfs/dbraw/zinc/74/06/40/1072740640.db2.gz LLYKFWZCUBNWHV-JXFKEZNVSA-N 1 2 430.505 -0.386 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000496955919 1072740728 /nfs/dbraw/zinc/74/07/28/1072740728.db2.gz LLYKFWZCUBNWHV-OXJNMPFZSA-N 1 2 430.505 -0.386 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000496955920 1072740613 /nfs/dbraw/zinc/74/06/13/1072740613.db2.gz LLYKFWZCUBNWHV-OXQOHEQNSA-N 1 2 430.505 -0.386 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000496955921 1072740671 /nfs/dbraw/zinc/74/06/71/1072740671.db2.gz LLYKFWZCUBNWHV-UZLBHIALSA-N 1 2 430.505 -0.386 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000496971343 1072741164 /nfs/dbraw/zinc/74/11/64/1072741164.db2.gz RZDYKMFXJADIAT-CEXWTWQISA-N 1 2 442.626 -0.017 20 0 IBADLO C[C@H](CN1CCOCC1)C(=O)N1CCSC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000496971344 1072741438 /nfs/dbraw/zinc/74/14/38/1072741438.db2.gz RZDYKMFXJADIAT-GUDVDZBRSA-N 1 2 442.626 -0.017 20 0 IBADLO C[C@H](CN1CCOCC1)C(=O)N1CCSC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000496971345 1072741197 /nfs/dbraw/zinc/74/11/97/1072741197.db2.gz RZDYKMFXJADIAT-QRVBRYPASA-N 1 2 442.626 -0.017 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000496971346 1072741125 /nfs/dbraw/zinc/74/11/25/1072741125.db2.gz RZDYKMFXJADIAT-QYZOEREBSA-N 1 2 442.626 -0.017 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000496971535 1072741306 /nfs/dbraw/zinc/74/13/06/1072741306.db2.gz YSNGSZITMMNDBX-INIZCTEOSA-N 1 2 437.478 -0.111 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000496971535 1072741294 /nfs/dbraw/zinc/74/12/94/1072741294.db2.gz YSNGSZITMMNDBX-INIZCTEOSA-N 1 2 437.478 -0.111 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000496989208 1072743110 /nfs/dbraw/zinc/74/31/10/1072743110.db2.gz XWJDFRSWKXUJBR-HNNXBMFYSA-N 1 2 437.478 -0.710 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000496989208 1072743109 /nfs/dbraw/zinc/74/31/09/1072743109.db2.gz XWJDFRSWKXUJBR-HNNXBMFYSA-N 1 2 437.478 -0.710 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497003145 1072744134 /nfs/dbraw/zinc/74/41/34/1072744134.db2.gz GKBZLOLQBPJAOG-KRWDZBQOSA-N 1 2 441.550 -0.219 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497003146 1072744012 /nfs/dbraw/zinc/74/40/12/1072744012.db2.gz GKBZLOLQBPJAOG-QGZVFWFLSA-N 1 2 441.550 -0.219 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000497004413 1072743538 /nfs/dbraw/zinc/74/35/38/1072743538.db2.gz LPMTUJYVIFLTGY-CYBMUJFWSA-N 1 2 428.449 -0.147 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000497004429 1072743506 /nfs/dbraw/zinc/74/35/06/1072743506.db2.gz LPMTUJYVIFLTGY-ZDUSSCGKSA-N 1 2 428.449 -0.147 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000497004965 1072743607 /nfs/dbraw/zinc/74/36/07/1072743607.db2.gz OUFMTLWDSBSIMH-INIZCTEOSA-N 1 2 444.554 -0.970 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000497004966 1072743381 /nfs/dbraw/zinc/74/33/81/1072743381.db2.gz OUFMTLWDSBSIMH-MRXNPFEDSA-N 1 2 444.554 -0.970 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000497005518 1072743620 /nfs/dbraw/zinc/74/36/20/1072743620.db2.gz YXAPRXNUZDNXCD-PMACEKPBSA-N 1 2 432.521 -0.079 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000497005519 1072743469 /nfs/dbraw/zinc/74/34/69/1072743469.db2.gz YXAPRXNUZDNXCD-UXHICEINSA-N 1 2 432.521 -0.079 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000497005522 1072743405 /nfs/dbraw/zinc/74/34/05/1072743405.db2.gz YXAPRXNUZDNXCD-VQTJNVASSA-N 1 2 432.521 -0.079 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000497005524 1072743637 /nfs/dbraw/zinc/74/36/37/1072743637.db2.gz YXAPRXNUZDNXCD-WOJBJXKFSA-N 1 2 432.521 -0.079 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000497006124 1072743578 /nfs/dbraw/zinc/74/35/78/1072743578.db2.gz ZMJTTZQDTOKMFI-AWEZNQCLSA-N 1 2 438.462 -0.250 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000497006124 1072743570 /nfs/dbraw/zinc/74/35/70/1072743570.db2.gz ZMJTTZQDTOKMFI-AWEZNQCLSA-N 1 2 438.462 -0.250 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000497017625 1072744572 /nfs/dbraw/zinc/74/45/72/1072744572.db2.gz FPJIRQBIKGRWDS-KRWDZBQOSA-N 1 2 442.538 -0.535 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000497017627 1072744726 /nfs/dbraw/zinc/74/47/26/1072744726.db2.gz FPJIRQBIKGRWDS-QGZVFWFLSA-N 1 2 442.538 -0.535 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000497017698 1072744116 /nfs/dbraw/zinc/74/41/16/1072744116.db2.gz FWAQBFHKWVSQES-DLBZAZTESA-N 1 2 443.570 -0.421 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000497017706 1072743977 /nfs/dbraw/zinc/74/39/77/1072743977.db2.gz FWAQBFHKWVSQES-IAGOWNOFSA-N 1 2 443.570 -0.421 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000497017710 1072744679 /nfs/dbraw/zinc/74/46/79/1072744679.db2.gz FWAQBFHKWVSQES-IRXDYDNUSA-N 1 2 443.570 -0.421 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000497017712 1072744494 /nfs/dbraw/zinc/74/44/94/1072744494.db2.gz FWAQBFHKWVSQES-SJORKVTESA-N 1 2 443.570 -0.421 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000497018413 1072744070 /nfs/dbraw/zinc/74/40/70/1072744070.db2.gz IDNWDBZTGGZOGX-KRWDZBQOSA-N 1 2 442.538 -0.583 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000497018416 1072744095 /nfs/dbraw/zinc/74/40/95/1072744095.db2.gz IDNWDBZTGGZOGX-QGZVFWFLSA-N 1 2 442.538 -0.583 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000497019785 1072744512 /nfs/dbraw/zinc/74/45/12/1072744512.db2.gz NJZLHHUKSFWKHP-HNNXBMFYSA-N 1 2 433.552 -0.466 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000497019787 1072744667 /nfs/dbraw/zinc/74/46/67/1072744667.db2.gz NJZLHHUKSFWKHP-OAHLLOKOSA-N 1 2 433.552 -0.466 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000497020712 1072744708 /nfs/dbraw/zinc/74/47/08/1072744708.db2.gz QIZKLKVUEAVPSH-DLBZAZTESA-N 1 2 444.554 -0.156 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000497020721 1072744658 /nfs/dbraw/zinc/74/46/58/1072744658.db2.gz QIZKLKVUEAVPSH-IAGOWNOFSA-N 1 2 444.554 -0.156 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000497020724 1072744628 /nfs/dbraw/zinc/74/46/28/1072744628.db2.gz QIZKLKVUEAVPSH-IRXDYDNUSA-N 1 2 444.554 -0.156 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000497020725 1072744719 /nfs/dbraw/zinc/74/47/19/1072744719.db2.gz QIZKLKVUEAVPSH-SJORKVTESA-N 1 2 444.554 -0.156 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000497021768 1073327320 /nfs/dbraw/zinc/32/73/20/1073327320.db2.gz UQWLNOQFZMGMLQ-LBPRGKRZSA-N 1 2 429.437 -0.386 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000497021768 1073327311 /nfs/dbraw/zinc/32/73/11/1073327311.db2.gz UQWLNOQFZMGMLQ-LBPRGKRZSA-N 1 2 429.437 -0.386 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000497033291 1072745210 /nfs/dbraw/zinc/74/52/10/1072745210.db2.gz DXVWBFSZWFKHLJ-AWEZNQCLSA-N 1 2 433.552 -0.466 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000497033292 1072745159 /nfs/dbraw/zinc/74/51/59/1072745159.db2.gz DXVWBFSZWFKHLJ-CQSZACIVSA-N 1 2 433.552 -0.466 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000497035687 1072745105 /nfs/dbraw/zinc/74/51/05/1072745105.db2.gz PWFLICVQVQBBDW-INIZCTEOSA-N 1 2 437.478 -0.063 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000497035687 1072745100 /nfs/dbraw/zinc/74/51/00/1072745100.db2.gz PWFLICVQVQBBDW-INIZCTEOSA-N 1 2 437.478 -0.063 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000497036971 1074355624 /nfs/dbraw/zinc/35/56/24/1074355624.db2.gz VEDZZYPTDZMRTP-AWEZNQCLSA-N 1 2 434.497 -0.858 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000497036976 1074355479 /nfs/dbraw/zinc/35/54/79/1074355479.db2.gz VEDZZYPTDZMRTP-CQSZACIVSA-N 1 2 434.497 -0.858 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000497049384 1072745807 /nfs/dbraw/zinc/74/58/07/1072745807.db2.gz IWQSEHYOPKXBIN-IBGZPJMESA-N 1 2 425.551 -0.318 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000497049385 1072745897 /nfs/dbraw/zinc/74/58/97/1072745897.db2.gz IWQSEHYOPKXBIN-LJQANCHMSA-N 1 2 425.551 -0.318 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000497049903 1072745911 /nfs/dbraw/zinc/74/59/11/1072745911.db2.gz LHUXETSXWDBSRX-HNNXBMFYSA-N 1 2 443.522 -0.722 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000497049904 1072745780 /nfs/dbraw/zinc/74/57/80/1072745780.db2.gz LHUXETSXWDBSRX-OAHLLOKOSA-N 1 2 443.522 -0.722 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000497050987 1072746379 /nfs/dbraw/zinc/74/63/79/1072746379.db2.gz YVSNDRKFQUOEQJ-APWZRJJASA-N 1 2 445.520 -0.312 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000497050988 1072746335 /nfs/dbraw/zinc/74/63/35/1072746335.db2.gz YVSNDRKFQUOEQJ-LPHOPBHVSA-N 1 2 445.520 -0.312 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000497050989 1072746419 /nfs/dbraw/zinc/74/64/19/1072746419.db2.gz YVSNDRKFQUOEQJ-QFBILLFUSA-N 1 2 445.520 -0.312 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000497050990 1072746406 /nfs/dbraw/zinc/74/64/06/1072746406.db2.gz YVSNDRKFQUOEQJ-VQIMIIECSA-N 1 2 445.520 -0.312 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000497068381 1072747649 /nfs/dbraw/zinc/74/76/49/1072747649.db2.gz YTNNXACRSSJHKT-KRWDZBQOSA-N 1 2 427.523 -0.527 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000497068382 1072747419 /nfs/dbraw/zinc/74/74/19/1072747419.db2.gz YTNNXACRSSJHKT-QGZVFWFLSA-N 1 2 427.523 -0.527 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000497356327 1072758753 /nfs/dbraw/zinc/75/87/53/1072758753.db2.gz WIDQEZIVJCMOAG-KRWDZBQOSA-N 1 2 426.539 -0.648 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000497356328 1072758722 /nfs/dbraw/zinc/75/87/22/1072758722.db2.gz WIDQEZIVJCMOAG-QGZVFWFLSA-N 1 2 426.539 -0.648 20 0 IBADLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000497363284 1072759469 /nfs/dbraw/zinc/75/94/69/1072759469.db2.gz FLFUYBBMBRCMSY-UHFFFAOYSA-N 1 2 444.584 -0.158 20 0 IBADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497407101 1072762339 /nfs/dbraw/zinc/76/23/39/1072762339.db2.gz SCCMWGXURSJLNM-GFCCVEGCSA-N 1 2 428.477 -0.001 20 0 IBADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000497407102 1072762246 /nfs/dbraw/zinc/76/22/46/1072762246.db2.gz SCCMWGXURSJLNM-LBPRGKRZSA-N 1 2 428.477 -0.001 20 0 IBADLO CC(=O)N1CCN(C(=O)C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 ZINC000497419370 1072762938 /nfs/dbraw/zinc/76/29/38/1072762938.db2.gz QIQOJXCELKEEDZ-UHFFFAOYSA-N 1 2 428.477 -0.035 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000497561031 1072770939 /nfs/dbraw/zinc/77/09/39/1072770939.db2.gz YXPPLYABJZFACW-KRWDZBQOSA-N 1 2 436.582 -0.292 20 0 IBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000497561032 1071364059 /nfs/dbraw/zinc/36/40/59/1071364059.db2.gz YXPPLYABJZFACW-QGZVFWFLSA-N 1 2 436.582 -0.292 20 0 IBADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000497567684 1072772000 /nfs/dbraw/zinc/77/20/00/1072772000.db2.gz LGKIFGCSAZAPAS-IBGZPJMESA-N 1 2 448.520 -0.163 20 0 IBADLO CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000497567685 1072771971 /nfs/dbraw/zinc/77/19/71/1072771971.db2.gz LGKIFGCSAZAPAS-LJQANCHMSA-N 1 2 448.520 -0.163 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](CNc2cc(NC[C@@H]3CCN(S(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000497569276 1073350768 /nfs/dbraw/zinc/35/07/68/1073350768.db2.gz HQRLWPVQTZKMEE-KBPBESRZSA-N 1 2 432.572 -0.137 20 0 IBADLO CS(=O)(=O)N1CC[C@H](CNc2cc(NC[C@@H]3CCN(S(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000497569277 1073350716 /nfs/dbraw/zinc/35/07/16/1073350716.db2.gz HQRLWPVQTZKMEE-OKILXGFUSA-N 1 2 432.572 -0.137 20 0 IBADLO CS(=O)(=O)N1CC[C@H](CNc2cc(NC[C@@H]3CCN(S(C)(=O)=O)C3)nc[nH+]2)C1 ZINC000497569277 1073350708 /nfs/dbraw/zinc/35/07/08/1073350708.db2.gz HQRLWPVQTZKMEE-OKILXGFUSA-N 1 2 432.572 -0.137 20 0 IBADLO CS(=O)(=O)N1CC[C@H](CNc2cc(NC[C@H]3CCN(S(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000497569278 1072772562 /nfs/dbraw/zinc/77/25/62/1072772562.db2.gz HQRLWPVQTZKMEE-ZIAGYGMSSA-N 1 2 432.572 -0.137 20 0 IBADLO COc1ccc(COC[C@H](O)C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000497590913 1072773736 /nfs/dbraw/zinc/77/37/36/1072773736.db2.gz QDKYCBBSCNSNFS-GOSISDBHSA-N 1 2 429.539 -0.233 20 0 IBADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000497590914 1072773570 /nfs/dbraw/zinc/77/35/70/1072773570.db2.gz QDKYCBBSCNSNFS-SFHVURJKSA-N 1 2 429.539 -0.233 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497719644 1072783348 /nfs/dbraw/zinc/78/33/48/1072783348.db2.gz JUUGPWBLPYFABO-GOSISDBHSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497719644 1072783343 /nfs/dbraw/zinc/78/33/43/1072783343.db2.gz JUUGPWBLPYFABO-GOSISDBHSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497719646 1072783218 /nfs/dbraw/zinc/78/32/18/1072783218.db2.gz JUUGPWBLPYFABO-SFHVURJKSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497719646 1072783208 /nfs/dbraw/zinc/78/32/08/1072783208.db2.gz JUUGPWBLPYFABO-SFHVURJKSA-N 1 2 447.584 -0.092 20 0 IBADLO COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000497746678 1072784794 /nfs/dbraw/zinc/78/47/94/1072784794.db2.gz WRVYSCJBYMTSSB-UHFFFAOYSA-N 1 2 428.486 -0.138 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000497792961 1072786494 /nfs/dbraw/zinc/78/64/94/1072786494.db2.gz JKZIDIRTNISENO-KRWDZBQOSA-N 1 2 440.504 -0.159 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000497792961 1072786483 /nfs/dbraw/zinc/78/64/83/1072786483.db2.gz JKZIDIRTNISENO-KRWDZBQOSA-N 1 2 440.504 -0.159 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000497792973 1072786790 /nfs/dbraw/zinc/78/67/90/1072786790.db2.gz JKZIDIRTNISENO-QGZVFWFLSA-N 1 2 440.504 -0.159 20 0 IBADLO Cn1c2ncn(CCC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000497792973 1072786781 /nfs/dbraw/zinc/78/67/81/1072786781.db2.gz JKZIDIRTNISENO-QGZVFWFLSA-N 1 2 440.504 -0.159 20 0 IBADLO CS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000497793775 1072786166 /nfs/dbraw/zinc/78/61/66/1072786166.db2.gz XVTFJQYSPNPTDD-UHFFFAOYSA-N 1 2 442.519 -0.040 20 0 IBADLO CC(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000497841520 1072789457 /nfs/dbraw/zinc/78/94/57/1072789457.db2.gz QICBPCAZTRFDHO-GOSISDBHSA-N 1 2 438.550 -0.106 20 0 IBADLO CC(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000497841523 1072789186 /nfs/dbraw/zinc/78/91/86/1072789186.db2.gz QICBPCAZTRFDHO-SFHVURJKSA-N 1 2 438.550 -0.106 20 0 IBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000497853250 1072789203 /nfs/dbraw/zinc/78/92/03/1072789203.db2.gz OVBNGROZXNUUNZ-DLBZAZTESA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000497853250 1072789198 /nfs/dbraw/zinc/78/91/98/1072789198.db2.gz OVBNGROZXNUUNZ-DLBZAZTESA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@H]21 ZINC000497853251 1072789353 /nfs/dbraw/zinc/78/93/53/1072789353.db2.gz OVBNGROZXNUUNZ-IAGOWNOFSA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@H]21 ZINC000497853251 1072789346 /nfs/dbraw/zinc/78/93/46/1072789346.db2.gz OVBNGROZXNUUNZ-IAGOWNOFSA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000497853252 1072789253 /nfs/dbraw/zinc/78/92/53/1072789253.db2.gz OVBNGROZXNUUNZ-IRXDYDNUSA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000497853252 1072789244 /nfs/dbraw/zinc/78/92/44/1072789244.db2.gz OVBNGROZXNUUNZ-IRXDYDNUSA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@H]21 ZINC000497853253 1072789217 /nfs/dbraw/zinc/78/92/17/1072789217.db2.gz OVBNGROZXNUUNZ-SJORKVTESA-N 1 2 431.559 -0.858 20 0 IBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C[C@H]21 ZINC000497853253 1072789213 /nfs/dbraw/zinc/78/92/13/1072789213.db2.gz OVBNGROZXNUUNZ-SJORKVTESA-N 1 2 431.559 -0.858 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000497854429 1072789831 /nfs/dbraw/zinc/78/98/31/1072789831.db2.gz WIJJFOLTODUHRB-AEFFLSMTSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000497854431 1072790022 /nfs/dbraw/zinc/79/00/22/1072790022.db2.gz WIJJFOLTODUHRB-FUHWJXTLSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000497854433 1072789863 /nfs/dbraw/zinc/78/98/63/1072789863.db2.gz WIJJFOLTODUHRB-SJLPKXTDSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000497854434 1072790067 /nfs/dbraw/zinc/79/00/67/1072790067.db2.gz WIJJFOLTODUHRB-WMZOPIPTSA-N 1 2 445.586 -0.468 20 0 IBADLO COc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000497888151 1072791571 /nfs/dbraw/zinc/79/15/71/1072791571.db2.gz HIEDMTILEPRCRV-UHFFFAOYSA-N 1 2 448.505 -0.308 20 0 IBADLO CN(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1c(F)cccc1F ZINC000497978771 1072795595 /nfs/dbraw/zinc/79/55/95/1072795595.db2.gz ASTWBLCHWKSXOS-PBHICJAKSA-N 1 2 428.480 -0.165 20 0 IBADLO CN(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1c(F)cccc1F ZINC000497978776 1072795778 /nfs/dbraw/zinc/79/57/78/1072795778.db2.gz ASTWBLCHWKSXOS-RHSMWYFYSA-N 1 2 428.480 -0.165 20 0 IBADLO CN(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1c(F)cccc1F ZINC000497978777 1072795639 /nfs/dbraw/zinc/79/56/39/1072795639.db2.gz ASTWBLCHWKSXOS-WMLDXEAASA-N 1 2 428.480 -0.165 20 0 IBADLO CN(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1c(F)cccc1F ZINC000497978778 1072795463 /nfs/dbraw/zinc/79/54/63/1072795463.db2.gz ASTWBLCHWKSXOS-YOEHRIQHSA-N 1 2 428.480 -0.165 20 0 IBADLO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000498075632 1072801139 /nfs/dbraw/zinc/80/11/39/1072801139.db2.gz AASBHSYWZMFQKI-KRWDZBQOSA-N 1 2 441.550 -0.153 20 0 IBADLO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000498075633 1072801033 /nfs/dbraw/zinc/80/10/33/1072801033.db2.gz AASBHSYWZMFQKI-QGZVFWFLSA-N 1 2 441.550 -0.153 20 0 IBADLO COc1ccc(OC)c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498169539 1072807529 /nfs/dbraw/zinc/80/75/29/1072807529.db2.gz GJUFQCVGQCNQLI-UHFFFAOYSA-N 1 2 426.539 -0.117 20 0 IBADLO CCS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498170432 1072807246 /nfs/dbraw/zinc/80/72/46/1072807246.db2.gz YWYRVFSOCIAGDG-UHFFFAOYSA-N 1 2 444.579 -0.270 20 0 IBADLO CCC(CC)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000498179817 1072810323 /nfs/dbraw/zinc/81/03/23/1072810323.db2.gz RKVKVGODOWLQJA-INIZCTEOSA-N 1 2 429.587 -0.340 20 0 IBADLO CCC(CC)N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000498179818 1072810445 /nfs/dbraw/zinc/81/04/45/1072810445.db2.gz RKVKVGODOWLQJA-MRXNPFEDSA-N 1 2 429.587 -0.340 20 0 IBADLO CC(C)c1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000498183324 1072807738 /nfs/dbraw/zinc/80/77/38/1072807738.db2.gz PLOGLEDFJRBLFU-UHFFFAOYSA-N 1 2 444.583 -0.159 20 0 IBADLO COCCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498184488 1072808296 /nfs/dbraw/zinc/80/82/96/1072808296.db2.gz FLFHDZVWSGXXHU-UHFFFAOYSA-N 1 2 426.539 -0.038 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000498185375 1072808437 /nfs/dbraw/zinc/80/84/37/1072808437.db2.gz UCIZGQSQQKACDN-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO CCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000498185457 1072808401 /nfs/dbraw/zinc/80/84/01/1072808401.db2.gz YFYIAPGBWGEFFX-UHFFFAOYSA-N 1 2 441.529 -0.037 20 0 IBADLO COCCOc1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498185711 1072808757 /nfs/dbraw/zinc/80/87/57/1072808757.db2.gz LESSEAUBGRDOSA-UHFFFAOYSA-N 1 2 426.539 -0.038 20 0 IBADLO COCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498188497 1072810472 /nfs/dbraw/zinc/81/04/72/1072810472.db2.gz YCEDEYFDGDAZLL-UHFFFAOYSA-N 1 2 427.527 -0.643 20 0 IBADLO CC(C)C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498194840 1072811334 /nfs/dbraw/zinc/81/13/34/1072811334.db2.gz HBXLWJQZSCXMJD-UHFFFAOYSA-N 1 2 429.587 -0.483 20 0 IBADLO CC(C)n1cnnc1SCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498197524 1072811590 /nfs/dbraw/zinc/81/15/90/1072811590.db2.gz ZXPVJJCSPDFVKH-UHFFFAOYSA-N 1 2 431.588 -0.413 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498231416 1072816754 /nfs/dbraw/zinc/81/67/54/1072816754.db2.gz KYYVEDAAGBQVKR-CVEARBPZSA-N 1 2 438.554 -0.253 20 0 IBADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498231417 1072816792 /nfs/dbraw/zinc/81/67/92/1072816792.db2.gz KYYVEDAAGBQVKR-HOTGVXAUSA-N 1 2 438.554 -0.253 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498231418 1072816655 /nfs/dbraw/zinc/81/66/55/1072816655.db2.gz KYYVEDAAGBQVKR-HZPDHXFCSA-N 1 2 438.554 -0.253 20 0 IBADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498231419 1072816737 /nfs/dbraw/zinc/81/67/37/1072816737.db2.gz KYYVEDAAGBQVKR-JKSUJKDBSA-N 1 2 438.554 -0.253 20 0 IBADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)O1)N1CCOCC1 ZINC000498280446 1072822717 /nfs/dbraw/zinc/82/27/17/1072822717.db2.gz BUWRLBFVPWFPAF-HLAWJBBLSA-N 1 2 447.532 -0.023 20 0 IBADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)O1)N1CCOCC1 ZINC000498280447 1072822638 /nfs/dbraw/zinc/82/26/38/1072822638.db2.gz BUWRLBFVPWFPAF-SESVDKBCSA-N 1 2 447.532 -0.023 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000498299916 1072825633 /nfs/dbraw/zinc/82/56/33/1072825633.db2.gz BKSRESPQHHMEEB-AEFFLSMTSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000498299916 1072825618 /nfs/dbraw/zinc/82/56/18/1072825618.db2.gz BKSRESPQHHMEEB-AEFFLSMTSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000498299917 1072825739 /nfs/dbraw/zinc/82/57/39/1072825739.db2.gz BKSRESPQHHMEEB-FUHWJXTLSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000498299917 1072825730 /nfs/dbraw/zinc/82/57/30/1072825730.db2.gz BKSRESPQHHMEEB-FUHWJXTLSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000498299918 1072825553 /nfs/dbraw/zinc/82/55/53/1072825553.db2.gz BKSRESPQHHMEEB-SJLPKXTDSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000498299918 1072825543 /nfs/dbraw/zinc/82/55/43/1072825543.db2.gz BKSRESPQHHMEEB-SJLPKXTDSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000498299919 1072825497 /nfs/dbraw/zinc/82/54/97/1072825497.db2.gz BKSRESPQHHMEEB-WMZOPIPTSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000498299919 1072825480 /nfs/dbraw/zinc/82/54/80/1072825480.db2.gz BKSRESPQHHMEEB-WMZOPIPTSA-N 1 2 442.582 -0.923 20 0 IBADLO O=C(CN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000498304350 1072825701 /nfs/dbraw/zinc/82/57/01/1072825701.db2.gz DPBJJLJDFLBMKC-IBGZPJMESA-N 1 2 445.545 -0.008 20 0 IBADLO O=C(CN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000498304352 1072825661 /nfs/dbraw/zinc/82/56/61/1072825661.db2.gz DPBJJLJDFLBMKC-LJQANCHMSA-N 1 2 445.545 -0.008 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000498356829 1072834321 /nfs/dbraw/zinc/83/43/21/1072834321.db2.gz VHBVOYSUUHNDMC-GOSISDBHSA-N 1 2 430.571 -0.355 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000498356829 1072834304 /nfs/dbraw/zinc/83/43/04/1072834304.db2.gz VHBVOYSUUHNDMC-GOSISDBHSA-N 1 2 430.571 -0.355 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000498356830 1072834238 /nfs/dbraw/zinc/83/42/38/1072834238.db2.gz VHBVOYSUUHNDMC-SFHVURJKSA-N 1 2 430.571 -0.355 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000498356830 1072834221 /nfs/dbraw/zinc/83/42/21/1072834221.db2.gz VHBVOYSUUHNDMC-SFHVURJKSA-N 1 2 430.571 -0.355 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000498387921 1072836530 /nfs/dbraw/zinc/83/65/30/1072836530.db2.gz NFIRYCVNKSGZFX-GOSISDBHSA-N 1 2 430.571 -0.213 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000498387921 1072836518 /nfs/dbraw/zinc/83/65/18/1072836518.db2.gz NFIRYCVNKSGZFX-GOSISDBHSA-N 1 2 430.571 -0.213 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000498387922 1072836435 /nfs/dbraw/zinc/83/64/35/1072836435.db2.gz NFIRYCVNKSGZFX-SFHVURJKSA-N 1 2 430.571 -0.213 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000498387922 1072836429 /nfs/dbraw/zinc/83/64/29/1072836429.db2.gz NFIRYCVNKSGZFX-SFHVURJKSA-N 1 2 430.571 -0.213 20 0 IBADLO COC(=O)C1CCN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000498560243 1072290648 /nfs/dbraw/zinc/29/06/48/1072290648.db2.gz NCUQTBMWQSOFGH-UHFFFAOYSA-N 1 2 439.538 -0.160 20 0 IBADLO COCCN(CCOC)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498560547 1072860249 /nfs/dbraw/zinc/86/02/49/1072860249.db2.gz RSHLCVIDSMBHKQ-UHFFFAOYSA-N 1 2 429.543 -0.451 20 0 IBADLO CNC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1C ZINC000498563652 1072858664 /nfs/dbraw/zinc/85/86/64/1072858664.db2.gz OKCBZXMLAMAKMV-UHFFFAOYSA-N 1 2 434.522 -0.203 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000498613107 1072868526 /nfs/dbraw/zinc/86/85/26/1072868526.db2.gz CTAUUWBYGRKSJV-UHFFFAOYSA-N 1 2 426.477 -0.186 20 0 IBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000498618024 1072868829 /nfs/dbraw/zinc/86/88/29/1072868829.db2.gz QUEORBVEVRUPKX-UHFFFAOYSA-N 1 2 440.460 -0.660 20 0 IBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000498629538 1072870052 /nfs/dbraw/zinc/87/00/52/1072870052.db2.gz IRWMULFVTYQZMB-UHFFFAOYSA-N 1 2 448.505 -0.468 20 0 IBADLO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000498654716 1072871313 /nfs/dbraw/zinc/87/13/13/1072871313.db2.gz WCBDBEKFKORCMU-FVQHAEBGSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000498654717 1072871334 /nfs/dbraw/zinc/87/13/34/1072871334.db2.gz WCBDBEKFKORCMU-HOTGVXAUSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@H]1CC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000498654718 1072871369 /nfs/dbraw/zinc/87/13/69/1072871369.db2.gz WCBDBEKFKORCMU-HZPDHXFCSA-N 1 2 429.587 -0.436 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H](C)O)CC3)cc2)CC1 ZINC000498669701 1072874326 /nfs/dbraw/zinc/87/43/26/1072874326.db2.gz XCHUEHBSKYPZQF-KRWDZBQOSA-N 1 2 431.537 -0.186 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)cc2)CC1 ZINC000498669703 1072874261 /nfs/dbraw/zinc/87/42/61/1072874261.db2.gz XCHUEHBSKYPZQF-QGZVFWFLSA-N 1 2 431.537 -0.186 20 0 IBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cnc21 ZINC000498756247 1072886834 /nfs/dbraw/zinc/88/68/34/1072886834.db2.gz WFIWVRZDEGIKBK-UHFFFAOYSA-N 1 2 437.460 -0.102 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000498902934 1072900302 /nfs/dbraw/zinc/90/03/02/1072900302.db2.gz ADJZYSNMQZOODB-UHFFFAOYSA-N 1 2 431.541 -0.121 20 0 IBADLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1CC(F)F ZINC000498913141 1073383779 /nfs/dbraw/zinc/38/37/79/1073383779.db2.gz NNAOKIUHZCKLHU-KRWDZBQOSA-N 1 2 431.528 -0.349 20 0 IBADLO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1CC(F)F ZINC000498913141 1073383776 /nfs/dbraw/zinc/38/37/76/1073383776.db2.gz NNAOKIUHZCKLHU-KRWDZBQOSA-N 1 2 431.528 -0.349 20 0 IBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1CC(F)F ZINC000498913145 1073383882 /nfs/dbraw/zinc/38/38/82/1073383882.db2.gz NNAOKIUHZCKLHU-QGZVFWFLSA-N 1 2 431.528 -0.349 20 0 IBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1CC(F)F ZINC000498913145 1073383879 /nfs/dbraw/zinc/38/38/79/1073383879.db2.gz NNAOKIUHZCKLHU-QGZVFWFLSA-N 1 2 431.528 -0.349 20 0 IBADLO C[C@H](O)C(=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498916872 1072900822 /nfs/dbraw/zinc/90/08/22/1072900822.db2.gz JJLOHSLUYHZTPJ-INIZCTEOSA-N 1 2 427.523 -0.389 20 0 IBADLO C[C@@H](O)C(=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000498916873 1072900983 /nfs/dbraw/zinc/90/09/83/1072900983.db2.gz JJLOHSLUYHZTPJ-MRXNPFEDSA-N 1 2 427.523 -0.389 20 0 IBADLO COc1ccncc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498952623 1072904664 /nfs/dbraw/zinc/90/46/64/1072904664.db2.gz BRJBKLJTRZNARB-UHFFFAOYSA-N 1 2 448.505 -0.308 20 0 IBADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000498960788 1072906358 /nfs/dbraw/zinc/90/63/58/1072906358.db2.gz TXQIEJPJOLEOMO-BRWVUGGUSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000498960791 1072906300 /nfs/dbraw/zinc/90/63/00/1072906300.db2.gz TXQIEJPJOLEOMO-IKGGRYGDSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000498960793 1072906273 /nfs/dbraw/zinc/90/62/73/1072906273.db2.gz TXQIEJPJOLEOMO-IXDOHACOSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000498960795 1072906398 /nfs/dbraw/zinc/90/63/98/1072906398.db2.gz TXQIEJPJOLEOMO-ZACQAIPSSA-N 1 2 429.587 -0.436 20 0 IBADLO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000498972344 1072905866 /nfs/dbraw/zinc/90/58/66/1072905866.db2.gz ITNFXEMQRCJANM-MSOLQXFVSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000498972345 1072905815 /nfs/dbraw/zinc/90/58/15/1072905815.db2.gz ITNFXEMQRCJANM-QZTJIDSGSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000498972346 1072905744 /nfs/dbraw/zinc/90/57/44/1072905744.db2.gz ITNFXEMQRCJANM-ROUUACIJSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000498972347 1072905789 /nfs/dbraw/zinc/90/57/89/1072905789.db2.gz ITNFXEMQRCJANM-ZWKOTPCHSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000498983598 1072910478 /nfs/dbraw/zinc/91/04/78/1072910478.db2.gz IXQFSHMEZKUYEK-MSOLQXFVSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000498983600 1072910308 /nfs/dbraw/zinc/91/03/08/1072910308.db2.gz IXQFSHMEZKUYEK-QZTJIDSGSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000498983601 1072910534 /nfs/dbraw/zinc/91/05/34/1072910534.db2.gz IXQFSHMEZKUYEK-ROUUACIJSA-N 1 2 442.607 -0.832 20 0 IBADLO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000498983603 1072911076 /nfs/dbraw/zinc/91/10/76/1072911076.db2.gz IXQFSHMEZKUYEK-ZWKOTPCHSA-N 1 2 442.607 -0.832 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000499014772 1072915949 /nfs/dbraw/zinc/91/59/49/1072915949.db2.gz CVDIFMLTZWPOLF-UHFFFAOYSA-N 1 2 443.522 -0.156 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)ccc1F ZINC000499036684 1072921972 /nfs/dbraw/zinc/92/19/72/1072921972.db2.gz NHBFMSUUIAELBN-GFCCVEGCSA-N 1 2 444.485 -0.232 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)ccc1F ZINC000499036685 1072921912 /nfs/dbraw/zinc/92/19/12/1072921912.db2.gz NHBFMSUUIAELBN-LBPRGKRZSA-N 1 2 444.485 -0.232 20 0 IBADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000499131097 1072927439 /nfs/dbraw/zinc/92/74/39/1072927439.db2.gz QQCJGCQATVFJOK-UHFFFAOYSA-N 1 2 437.522 -0.571 20 0 IBADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000499131097 1072927433 /nfs/dbraw/zinc/92/74/33/1072927433.db2.gz QQCJGCQATVFJOK-UHFFFAOYSA-N 1 2 437.522 -0.571 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000499145484 1072928550 /nfs/dbraw/zinc/92/85/50/1072928550.db2.gz HDTKDSJEQLQYSY-UHFFFAOYSA-N 1 2 444.477 -0.702 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000499154483 1072929549 /nfs/dbraw/zinc/92/95/49/1072929549.db2.gz UTBGGILZFSVFIH-UHFFFAOYSA-N 1 2 439.538 -0.325 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000499154483 1072929542 /nfs/dbraw/zinc/92/95/42/1072929542.db2.gz UTBGGILZFSVFIH-UHFFFAOYSA-N 1 2 439.538 -0.325 20 0 IBADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C1CCOCC1 ZINC000499231118 1072936269 /nfs/dbraw/zinc/93/62/69/1072936269.db2.gz QUNNFFYSBWVWAD-UHFFFAOYSA-N 1 2 440.570 -0.207 20 0 IBADLO C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000499459622 1073152032 /nfs/dbraw/zinc/15/20/32/1073152032.db2.gz FBHLCJQTKPTZMJ-DLBZAZTESA-N 1 2 429.587 -0.292 20 0 IBADLO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000499459624 1073151984 /nfs/dbraw/zinc/15/19/84/1073151984.db2.gz FBHLCJQTKPTZMJ-IAGOWNOFSA-N 1 2 429.587 -0.292 20 0 IBADLO C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000499459625 1073152087 /nfs/dbraw/zinc/15/20/87/1073152087.db2.gz FBHLCJQTKPTZMJ-IRXDYDNUSA-N 1 2 429.587 -0.292 20 0 IBADLO C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000499459626 1073152027 /nfs/dbraw/zinc/15/20/27/1073152027.db2.gz FBHLCJQTKPTZMJ-SJORKVTESA-N 1 2 429.587 -0.292 20 0 IBADLO CNC(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000499528564 1073166897 /nfs/dbraw/zinc/16/68/97/1073166897.db2.gz YAPJWOBLLNNZPE-UHFFFAOYSA-N 1 2 438.554 -0.634 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499641000 1073192579 /nfs/dbraw/zinc/19/25/79/1073192579.db2.gz NIHXUUWRNZWJEL-INIZCTEOSA-N 1 2 428.493 -0.658 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499641002 1073192474 /nfs/dbraw/zinc/19/24/74/1073192474.db2.gz NIHXUUWRNZWJEL-MRXNPFEDSA-N 1 2 428.493 -0.658 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499644672 1073192933 /nfs/dbraw/zinc/19/29/33/1073192933.db2.gz ZJLQJHIMDHFDOJ-INIZCTEOSA-N 1 2 430.509 -0.364 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499644673 1073193126 /nfs/dbraw/zinc/19/31/26/1073193126.db2.gz ZJLQJHIMDHFDOJ-MRXNPFEDSA-N 1 2 430.509 -0.364 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499647542 1073192955 /nfs/dbraw/zinc/19/29/55/1073192955.db2.gz JNXBLAQCPHUWKO-APWZRJJASA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499647542 1073192947 /nfs/dbraw/zinc/19/29/47/1073192947.db2.gz JNXBLAQCPHUWKO-APWZRJJASA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499647543 1073193004 /nfs/dbraw/zinc/19/30/04/1073193004.db2.gz JNXBLAQCPHUWKO-LPHOPBHVSA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499647543 1073192999 /nfs/dbraw/zinc/19/29/99/1073192999.db2.gz JNXBLAQCPHUWKO-LPHOPBHVSA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499647544 1073193195 /nfs/dbraw/zinc/19/31/95/1073193195.db2.gz JNXBLAQCPHUWKO-QFBILLFUSA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000499647544 1073193185 /nfs/dbraw/zinc/19/31/85/1073193185.db2.gz JNXBLAQCPHUWKO-QFBILLFUSA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499647545 1073193480 /nfs/dbraw/zinc/19/34/80/1073193480.db2.gz JNXBLAQCPHUWKO-VQIMIIECSA-N 1 2 440.566 -0.307 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000499647545 1073193474 /nfs/dbraw/zinc/19/34/74/1073193474.db2.gz JNXBLAQCPHUWKO-VQIMIIECSA-N 1 2 440.566 -0.307 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000499650803 1073193578 /nfs/dbraw/zinc/19/35/78/1073193578.db2.gz PEMBQWPEBNNVCX-AWEZNQCLSA-N 1 2 443.522 -0.421 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1nc(N2CCOCC2)nc(N[C@H]2CCC[C@H]2C(=O)NC)[nH+]1 ZINC000499651149 1073194201 /nfs/dbraw/zinc/19/42/01/1073194201.db2.gz AZCGZIMBLJKRLD-FPCVCCKLSA-N 1 2 446.556 -0.795 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N2CCOCC2)nc(N[C@H]2CCC[C@@H]2C(=O)NC)[nH+]1 ZINC000499651155 1073194278 /nfs/dbraw/zinc/19/42/78/1073194278.db2.gz AZCGZIMBLJKRLD-FZKCQIBNSA-N 1 2 446.556 -0.795 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N2CCOCC2)nc(N[C@@H]2CCC[C@@H]2C(=O)NC)[nH+]1 ZINC000499651157 1073194123 /nfs/dbraw/zinc/19/41/23/1073194123.db2.gz AZCGZIMBLJKRLD-SYMSYNOKSA-N 1 2 446.556 -0.795 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N[C@H]2CCC[C@H]2C(=O)NC)[nH+]c(N2CCOCC2)n1 ZINC000499651159 1073194018 /nfs/dbraw/zinc/19/40/18/1073194018.db2.gz AZCGZIMBLJKRLD-WCVJEAGWSA-N 1 2 446.556 -0.795 20 0 IBADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499655812 1073194597 /nfs/dbraw/zinc/19/45/97/1073194597.db2.gz GKLKFBYJUOOPAB-UHFFFAOYSA-N 1 2 432.462 -0.387 20 0 IBADLO CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000499690210 1073209683 /nfs/dbraw/zinc/20/96/83/1073209683.db2.gz LHFPABLIGMPMIH-CYBMUJFWSA-N 1 2 447.485 -0.182 20 0 IBADLO CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000499690210 1073209677 /nfs/dbraw/zinc/20/96/77/1073209677.db2.gz LHFPABLIGMPMIH-CYBMUJFWSA-N 1 2 447.485 -0.182 20 0 IBADLO CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000499690211 1073209716 /nfs/dbraw/zinc/20/97/16/1073209716.db2.gz LHFPABLIGMPMIH-ZDUSSCGKSA-N 1 2 447.485 -0.182 20 0 IBADLO CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000499690211 1073209713 /nfs/dbraw/zinc/20/97/13/1073209713.db2.gz LHFPABLIGMPMIH-ZDUSSCGKSA-N 1 2 447.485 -0.182 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000499752966 1073216990 /nfs/dbraw/zinc/21/69/90/1073216990.db2.gz VEZVFNFIOIKSPR-UHFFFAOYSA-N 1 2 429.495 -0.810 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499834184 1073224884 /nfs/dbraw/zinc/22/48/84/1073224884.db2.gz CEAGPPGMTUROCB-HNNXBMFYSA-N 1 2 447.579 -0.537 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499834185 1073224917 /nfs/dbraw/zinc/22/49/17/1073224917.db2.gz CEAGPPGMTUROCB-OAHLLOKOSA-N 1 2 447.579 -0.537 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000499841639 1073225405 /nfs/dbraw/zinc/22/54/05/1073225405.db2.gz UNAIBSSQNVEWRK-BQFCYCMXSA-N 1 2 429.539 -0.826 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000499841654 1073225272 /nfs/dbraw/zinc/22/52/72/1073225272.db2.gz UNAIBSSQNVEWRK-JZXOWHBKSA-N 1 2 429.539 -0.826 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000499841658 1073225307 /nfs/dbraw/zinc/22/53/07/1073225307.db2.gz UNAIBSSQNVEWRK-NUJGCVRESA-N 1 2 429.539 -0.826 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000499841661 1073225317 /nfs/dbraw/zinc/22/53/17/1073225317.db2.gz UNAIBSSQNVEWRK-RYRKJORJSA-N 1 2 429.539 -0.826 20 0 IBADLO CCOc1ncccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000499848095 1073225737 /nfs/dbraw/zinc/22/57/37/1073225737.db2.gz FXSMQTBQAVFWLI-UHFFFAOYSA-N 1 2 426.543 -0.200 20 0 IBADLO NC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000499871770 1073226151 /nfs/dbraw/zinc/22/61/51/1073226151.db2.gz PKUZJIMZSMPVTA-UHFFFAOYSA-N 1 2 433.494 -0.151 20 0 IBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000500062649 1071366974 /nfs/dbraw/zinc/36/69/74/1071366974.db2.gz DQLIJLVKSQAJFW-HNNXBMFYSA-N 1 2 430.600 -0.224 20 0 IBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000500062650 1071366799 /nfs/dbraw/zinc/36/67/99/1071366799.db2.gz DQLIJLVKSQAJFW-OAHLLOKOSA-N 1 2 430.600 -0.224 20 0 IBADLO O=S(=O)(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCS(=O)(=O)CC1 ZINC000500068368 1071367375 /nfs/dbraw/zinc/36/73/75/1071367375.db2.gz SJHUCTDHMIYCBG-UHFFFAOYSA-N 1 2 433.552 -0.538 20 0 IBADLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000500128476 1071369887 /nfs/dbraw/zinc/36/98/87/1071369887.db2.gz HPQQCNDBOIAUOI-QZTJIDSGSA-N 1 2 436.534 -0.466 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000500128476 1071369872 /nfs/dbraw/zinc/36/98/72/1071369872.db2.gz HPQQCNDBOIAUOI-QZTJIDSGSA-N 1 2 436.534 -0.466 20 0 IBADLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000500161169 1071371415 /nfs/dbraw/zinc/37/14/15/1071371415.db2.gz NUEKTWDNXKEEJZ-IAGOWNOFSA-N 1 2 436.534 -0.466 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000500161169 1071371408 /nfs/dbraw/zinc/37/14/08/1071371408.db2.gz NUEKTWDNXKEEJZ-IAGOWNOFSA-N 1 2 436.534 -0.466 20 0 IBADLO C[C@@H](CS(C)(=O)=O)N(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000500187443 1071372546 /nfs/dbraw/zinc/37/25/46/1071372546.db2.gz SXKBROOZLNOCMC-AWEZNQCLSA-N 1 2 435.554 -0.091 20 0 IBADLO C[C@H](CS(C)(=O)=O)N(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000500187452 1071372626 /nfs/dbraw/zinc/37/26/26/1071372626.db2.gz SXKBROOZLNOCMC-CQSZACIVSA-N 1 2 435.554 -0.091 20 0 IBADLO Cc1noc(CN2CCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)CC2)n1 ZINC000500225484 1071374040 /nfs/dbraw/zinc/37/40/40/1071374040.db2.gz JFXGLEAZLXNPGJ-UHFFFAOYSA-N 1 2 440.512 -0.479 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[N@H+]1CCO ZINC000500231594 1071374576 /nfs/dbraw/zinc/37/45/76/1071374576.db2.gz QRFYLYMHUQUZHQ-BRWVUGGUSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[N@@H+]1CCO ZINC000500231594 1071374563 /nfs/dbraw/zinc/37/45/63/1071374563.db2.gz QRFYLYMHUQUZHQ-BRWVUGGUSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[N@H+]1CCO ZINC000500231619 1071374329 /nfs/dbraw/zinc/37/43/29/1071374329.db2.gz QRFYLYMHUQUZHQ-IKGGRYGDSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[N@@H+]1CCO ZINC000500231619 1071374311 /nfs/dbraw/zinc/37/43/11/1071374311.db2.gz QRFYLYMHUQUZHQ-IKGGRYGDSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[N@H+]1CCO ZINC000500231623 1071374252 /nfs/dbraw/zinc/37/42/52/1071374252.db2.gz QRFYLYMHUQUZHQ-IXDOHACOSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[N@@H+]1CCO ZINC000500231623 1071374235 /nfs/dbraw/zinc/37/42/35/1071374235.db2.gz QRFYLYMHUQUZHQ-IXDOHACOSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[N@H+]1CCO ZINC000500231628 1071374166 /nfs/dbraw/zinc/37/41/66/1071374166.db2.gz QRFYLYMHUQUZHQ-ZACQAIPSSA-N 1 2 430.505 -0.453 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[N@@H+]1CCO ZINC000500231628 1071374150 /nfs/dbraw/zinc/37/41/50/1071374150.db2.gz QRFYLYMHUQUZHQ-ZACQAIPSSA-N 1 2 430.505 -0.453 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000500236909 1071374988 /nfs/dbraw/zinc/37/49/88/1071374988.db2.gz PEMBQWPEBNNVCX-CQSZACIVSA-N 1 2 443.522 -0.421 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000500240624 1071375905 /nfs/dbraw/zinc/37/59/05/1071375905.db2.gz YAIRSPSYPNXMMI-AWEZNQCLSA-N 1 2 443.522 -0.421 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000500240624 1071375894 /nfs/dbraw/zinc/37/58/94/1071375894.db2.gz YAIRSPSYPNXMMI-AWEZNQCLSA-N 1 2 443.522 -0.421 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000500240625 1071375848 /nfs/dbraw/zinc/37/58/48/1071375848.db2.gz YAIRSPSYPNXMMI-CQSZACIVSA-N 1 2 443.522 -0.421 20 0 IBADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000500240625 1071375834 /nfs/dbraw/zinc/37/58/34/1071375834.db2.gz YAIRSPSYPNXMMI-CQSZACIVSA-N 1 2 443.522 -0.421 20 0 IBADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500245334 1071376544 /nfs/dbraw/zinc/37/65/44/1071376544.db2.gz HRURFOFKMADSTK-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500245334 1071376541 /nfs/dbraw/zinc/37/65/41/1071376541.db2.gz HRURFOFKMADSTK-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500245335 1071376325 /nfs/dbraw/zinc/37/63/25/1071376325.db2.gz HRURFOFKMADSTK-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500245335 1071376309 /nfs/dbraw/zinc/37/63/09/1071376309.db2.gz HRURFOFKMADSTK-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO C[C@@H](CN1CCCC1=O)Nc1nc(N[C@@H](C)CN2CCCC2=O)[nH+]c(N2CCOCC2)n1 ZINC000500254352 1071377256 /nfs/dbraw/zinc/37/72/56/1071377256.db2.gz QHQSUOIXBWHHMC-HOTGVXAUSA-N 1 2 446.556 -0.602 20 0 IBADLO C[C@H](CN1CCCC1=O)Nc1nc(N[C@H](C)CN2CCCC2=O)[nH+]c(N2CCOCC2)n1 ZINC000500254360 1071377016 /nfs/dbraw/zinc/37/70/16/1071377016.db2.gz QHQSUOIXBWHHMC-HZPDHXFCSA-N 1 2 446.556 -0.602 20 0 IBADLO C[C@H](CN1CCCC1=O)Nc1nc(N2CCOCC2)nc(N[C@@H](C)CN2CCCC2=O)[nH+]1 ZINC000500254362 1071376845 /nfs/dbraw/zinc/37/68/45/1071376845.db2.gz QHQSUOIXBWHHMC-IYBDPMFKSA-N 1 2 446.556 -0.602 20 0 IBADLO O=C(CNc1nc(NCC(=O)N2CCCCC2)[nH+]c(N2CCOCC2)n1)N1CCCCC1 ZINC000500254721 1071377162 /nfs/dbraw/zinc/37/71/62/1071377162.db2.gz SPGOVESHDPKINE-UHFFFAOYSA-N 1 2 446.556 -0.599 20 0 IBADLO O=C(CNc1nc(N2CCOCC2)nc(NCC(=O)N2CCCCC2)[nH+]1)N1CCCCC1 ZINC000500254721 1071377152 /nfs/dbraw/zinc/37/71/52/1071377152.db2.gz SPGOVESHDPKINE-UHFFFAOYSA-N 1 2 446.556 -0.599 20 0 IBADLO NC(=O)C[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@@H](CC(N)=O)C3)n2)C1 ZINC000500262141 1071378321 /nfs/dbraw/zinc/37/83/21/1071378321.db2.gz MJJZVQKZYQVUER-HOTGVXAUSA-N 1 2 446.556 -0.108 20 0 IBADLO NC(=O)C[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@@H](CC(N)=O)C3)[nH+]2)C1 ZINC000500262141 1071378307 /nfs/dbraw/zinc/37/83/07/1071378307.db2.gz MJJZVQKZYQVUER-HOTGVXAUSA-N 1 2 446.556 -0.108 20 0 IBADLO NC(=O)C[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@H](CC(N)=O)C3)n2)C1 ZINC000500262142 1071378224 /nfs/dbraw/zinc/37/82/24/1071378224.db2.gz MJJZVQKZYQVUER-HZPDHXFCSA-N 1 2 446.556 -0.108 20 0 IBADLO NC(=O)C[C@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@H](CC(N)=O)C3)[nH+]2)C1 ZINC000500262142 1071378214 /nfs/dbraw/zinc/37/82/14/1071378214.db2.gz MJJZVQKZYQVUER-HZPDHXFCSA-N 1 2 446.556 -0.108 20 0 IBADLO CCC(=O)N1CC[C@H](Nc2nc(N[C@H]3CCN(C(=O)CC)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000500265981 1071378385 /nfs/dbraw/zinc/37/83/85/1071378385.db2.gz HCMOGYVEVPKXBQ-HOTGVXAUSA-N 1 2 446.556 -0.602 20 0 IBADLO CCC(=O)N1CC[C@@H](Nc2nc(N[C@@H]3CCN(C(=O)CC)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000500265982 1071378123 /nfs/dbraw/zinc/37/81/23/1071378123.db2.gz HCMOGYVEVPKXBQ-HZPDHXFCSA-N 1 2 446.556 -0.602 20 0 IBADLO CCC(=O)N1CC[C@@H](Nc2nc(N3CCOCC3)nc(N[C@H]3CCN(C(=O)CC)C3)[nH+]2)C1 ZINC000500265983 1071378487 /nfs/dbraw/zinc/37/84/87/1071378487.db2.gz HCMOGYVEVPKXBQ-IYBDPMFKSA-N 1 2 446.556 -0.602 20 0 IBADLO CC(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCN(C(C)=O)C[C@@H]3C)[nH+]2)[C@@H](C)C1 ZINC000500274712 1071378936 /nfs/dbraw/zinc/37/89/36/1071378936.db2.gz LOFZFPQSTKRRKF-HOTGVXAUSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(=O)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCN(C(C)=O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000500274712 1071378923 /nfs/dbraw/zinc/37/89/23/1071378923.db2.gz LOFZFPQSTKRRKF-HOTGVXAUSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCN(C(C)=O)C[C@H]3C)[nH+]2)[C@H](C)C1 ZINC000500274715 1071379179 /nfs/dbraw/zinc/37/91/79/1071379179.db2.gz LOFZFPQSTKRRKF-HZPDHXFCSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(=O)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCN(C(C)=O)C[C@H]3C)n2)[C@H](C)C1 ZINC000500274715 1071379165 /nfs/dbraw/zinc/37/91/65/1071379165.db2.gz LOFZFPQSTKRRKF-HZPDHXFCSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(C)N1CC[C@H](Nc2nc(N[C@H]3CCN(C(C)C)C3=O)[nH+]c(N3CCOCC3)n2)C1=O ZINC000500283009 1071379669 /nfs/dbraw/zinc/37/96/69/1071379669.db2.gz WWYAUPKIWGVPFT-HOTGVXAUSA-N 1 2 446.556 -0.606 20 0 IBADLO CC(C)N1CC[C@H](Nc2nc(N3CCOCC3)nc(N[C@H]3CCN(C(C)C)C3=O)[nH+]2)C1=O ZINC000500283009 1071379660 /nfs/dbraw/zinc/37/96/60/1071379660.db2.gz WWYAUPKIWGVPFT-HOTGVXAUSA-N 1 2 446.556 -0.606 20 0 IBADLO CC(C)N1CC[C@@H](Nc2nc(N[C@@H]3CCN(C(C)C)C3=O)[nH+]c(N3CCOCC3)n2)C1=O ZINC000500283010 1071379815 /nfs/dbraw/zinc/37/98/15/1071379815.db2.gz WWYAUPKIWGVPFT-HZPDHXFCSA-N 1 2 446.556 -0.606 20 0 IBADLO CC(C)N1CC[C@@H](Nc2nc(N3CCOCC3)nc(N[C@@H]3CCN(C(C)C)C3=O)[nH+]2)C1=O ZINC000500283010 1071379811 /nfs/dbraw/zinc/37/98/11/1071379811.db2.gz WWYAUPKIWGVPFT-HZPDHXFCSA-N 1 2 446.556 -0.606 20 0 IBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500290839 1071381359 /nfs/dbraw/zinc/38/13/59/1071381359.db2.gz URDJZWHEDUHVIW-AWEZNQCLSA-N 1 2 431.584 -0.282 20 0 IBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500290839 1071381347 /nfs/dbraw/zinc/38/13/47/1071381347.db2.gz URDJZWHEDUHVIW-AWEZNQCLSA-N 1 2 431.584 -0.282 20 0 IBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500290840 1071381143 /nfs/dbraw/zinc/38/11/43/1071381143.db2.gz URDJZWHEDUHVIW-CQSZACIVSA-N 1 2 431.584 -0.282 20 0 IBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500290840 1071381139 /nfs/dbraw/zinc/38/11/39/1071381139.db2.gz URDJZWHEDUHVIW-CQSZACIVSA-N 1 2 431.584 -0.282 20 0 IBADLO NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000500295038 1071382111 /nfs/dbraw/zinc/38/21/11/1071382111.db2.gz VBUTWXIJFMQCAV-KRWDZBQOSA-N 1 2 425.555 -0.038 20 0 IBADLO NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000500295039 1071381993 /nfs/dbraw/zinc/38/19/93/1071381993.db2.gz VBUTWXIJFMQCAV-QGZVFWFLSA-N 1 2 425.555 -0.038 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cn1C ZINC000500298630 1071382993 /nfs/dbraw/zinc/38/29/93/1071382993.db2.gz RITUFOCGYKNRSP-UHFFFAOYSA-N 1 2 445.505 -0.474 20 0 IBADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500299005 1071382846 /nfs/dbraw/zinc/38/28/46/1071382846.db2.gz SRAGMPTZNCTSBB-INIZCTEOSA-N 1 2 435.506 -0.397 20 0 IBADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500299006 1071383038 /nfs/dbraw/zinc/38/30/38/1071383038.db2.gz SRAGMPTZNCTSBB-MRXNPFEDSA-N 1 2 435.506 -0.397 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500299319 1071383062 /nfs/dbraw/zinc/38/30/62/1071383062.db2.gz SZVXPSARBUTSGE-INIZCTEOSA-N 1 2 437.522 -0.151 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500299323 1071382939 /nfs/dbraw/zinc/38/29/39/1071382939.db2.gz SZVXPSARBUTSGE-MRXNPFEDSA-N 1 2 437.522 -0.151 20 0 IBADLO O=S(=O)(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCS(=O)(=O)CC1 ZINC000500304355 1071384277 /nfs/dbraw/zinc/38/42/77/1071384277.db2.gz NKRRDMIEDNWBOL-UHFFFAOYSA-N 1 2 433.552 -0.538 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000500304983 1071383637 /nfs/dbraw/zinc/38/36/37/1071383637.db2.gz PGEDNNPIDNTRGK-UHFFFAOYSA-N 1 2 444.579 -0.040 20 0 IBADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500313186 1071385205 /nfs/dbraw/zinc/38/52/05/1071385205.db2.gz DNONGOXUHFURDG-AWEZNQCLSA-N 1 2 427.527 -0.591 20 0 IBADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500313186 1071385193 /nfs/dbraw/zinc/38/51/93/1071385193.db2.gz DNONGOXUHFURDG-AWEZNQCLSA-N 1 2 427.527 -0.591 20 0 IBADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500313187 1071385145 /nfs/dbraw/zinc/38/51/45/1071385145.db2.gz DNONGOXUHFURDG-CQSZACIVSA-N 1 2 427.527 -0.591 20 0 IBADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500313187 1071385132 /nfs/dbraw/zinc/38/51/32/1071385132.db2.gz DNONGOXUHFURDG-CQSZACIVSA-N 1 2 427.527 -0.591 20 0 IBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000500313776 1071385370 /nfs/dbraw/zinc/38/53/70/1071385370.db2.gz IUZBTHMINFJUGF-AWEZNQCLSA-N 1 2 427.527 -0.403 20 0 IBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000500313776 1071385362 /nfs/dbraw/zinc/38/53/62/1071385362.db2.gz IUZBTHMINFJUGF-AWEZNQCLSA-N 1 2 427.527 -0.403 20 0 IBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000500313777 1071385430 /nfs/dbraw/zinc/38/54/30/1071385430.db2.gz IUZBTHMINFJUGF-CQSZACIVSA-N 1 2 427.527 -0.403 20 0 IBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000500313777 1071385424 /nfs/dbraw/zinc/38/54/24/1071385424.db2.gz IUZBTHMINFJUGF-CQSZACIVSA-N 1 2 427.527 -0.403 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000500316758 1071385901 /nfs/dbraw/zinc/38/59/01/1071385901.db2.gz OMMPFHYDUWCBGO-UHFFFAOYSA-N 1 2 437.522 -0.151 20 0 IBADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(OC)c1 ZINC000500321223 1071388070 /nfs/dbraw/zinc/38/80/70/1071388070.db2.gz JIWILMPMQZFCDY-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(OC)c1 ZINC000500321223 1071388054 /nfs/dbraw/zinc/38/80/54/1071388054.db2.gz JIWILMPMQZFCDY-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(OC)c1 ZINC000500321225 1071387874 /nfs/dbraw/zinc/38/78/74/1071387874.db2.gz JIWILMPMQZFCDY-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(OC)c1 ZINC000500321225 1071387867 /nfs/dbraw/zinc/38/78/67/1071387867.db2.gz JIWILMPMQZFCDY-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000500329872 1071389058 /nfs/dbraw/zinc/38/90/58/1071389058.db2.gz VKRPFRMMIQPTQL-UHFFFAOYSA-N 1 2 428.474 -0.121 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000500374516 1071394216 /nfs/dbraw/zinc/39/42/16/1071394216.db2.gz CBYVAZKCHYMQDI-HNNXBMFYSA-N 1 2 433.465 -0.555 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000500374517 1071394116 /nfs/dbraw/zinc/39/41/16/1071394116.db2.gz CBYVAZKCHYMQDI-OAHLLOKOSA-N 1 2 433.465 -0.555 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1=O ZINC000500376074 1071394790 /nfs/dbraw/zinc/39/47/90/1071394790.db2.gz GBAYFTURMGRZOS-GOSISDBHSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1=O ZINC000500376078 1071394855 /nfs/dbraw/zinc/39/48/55/1071394855.db2.gz GBAYFTURMGRZOS-SFHVURJKSA-N 1 2 445.520 -0.347 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000500376201 1071394484 /nfs/dbraw/zinc/39/44/84/1071394484.db2.gz UDSCXNYETRPZIK-AWEZNQCLSA-N 1 2 442.519 -0.065 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000500376201 1071394469 /nfs/dbraw/zinc/39/44/69/1071394469.db2.gz UDSCXNYETRPZIK-AWEZNQCLSA-N 1 2 442.519 -0.065 20 0 IBADLO Cc1ccc(OCC(=O)N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000500500877 1071494109 /nfs/dbraw/zinc/49/41/09/1071494109.db2.gz LANIQRWEEQOZKU-UHFFFAOYSA-N 1 2 440.504 -0.035 20 0 IBADLO COC(=O)c1cn(C2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)nn1 ZINC000500529073 1071497760 /nfs/dbraw/zinc/49/77/60/1071497760.db2.gz VMVBTCKUBFMLRI-UHFFFAOYSA-N 1 2 427.465 -0.028 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)[nH+]cn1 ZINC000500595848 1071501401 /nfs/dbraw/zinc/50/14/01/1071501401.db2.gz GUJCNDMJYTXZLV-KBPBESRZSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)[nH+]cn1 ZINC000500595849 1071501498 /nfs/dbraw/zinc/50/14/98/1071501498.db2.gz GUJCNDMJYTXZLV-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)nc[nH+]1 ZINC000500595849 1071501492 /nfs/dbraw/zinc/50/14/92/1071501492.db2.gz GUJCNDMJYTXZLV-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@@H]2CS(=O)(=O)NC)[nH+]cn1 ZINC000500595850 1071501292 /nfs/dbraw/zinc/50/12/92/1071501292.db2.gz GUJCNDMJYTXZLV-ZIAGYGMSSA-N 1 2 432.572 -0.487 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](C)O)cc1 ZINC000500602678 1071501859 /nfs/dbraw/zinc/50/18/59/1071501859.db2.gz OMPPMVUZCHRPOV-AEFFLSMTSA-N 1 2 436.538 -0.541 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@H](C)O)cc1 ZINC000500602685 1071502179 /nfs/dbraw/zinc/50/21/79/1071502179.db2.gz OMPPMVUZCHRPOV-FUHWJXTLSA-N 1 2 436.538 -0.541 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](C)O)cc1 ZINC000500602687 1071502108 /nfs/dbraw/zinc/50/21/08/1071502108.db2.gz OMPPMVUZCHRPOV-SJLPKXTDSA-N 1 2 436.538 -0.541 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@H](C)O)cc1 ZINC000500602689 1071501935 /nfs/dbraw/zinc/50/19/35/1071501935.db2.gz OMPPMVUZCHRPOV-WMZOPIPTSA-N 1 2 436.538 -0.541 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500608753 1071502747 /nfs/dbraw/zinc/50/27/47/1071502747.db2.gz XYRFHORJUOAINO-GMBSWORKSA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500608753 1071502736 /nfs/dbraw/zinc/50/27/36/1071502736.db2.gz XYRFHORJUOAINO-GMBSWORKSA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500608754 1071502696 /nfs/dbraw/zinc/50/26/96/1071502696.db2.gz XYRFHORJUOAINO-QOKNQOGYSA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500608754 1071502687 /nfs/dbraw/zinc/50/26/87/1071502687.db2.gz XYRFHORJUOAINO-QOKNQOGYSA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500608755 1071502664 /nfs/dbraw/zinc/50/26/64/1071502664.db2.gz XYRFHORJUOAINO-URLQWDBASA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500608755 1071502649 /nfs/dbraw/zinc/50/26/49/1071502649.db2.gz XYRFHORJUOAINO-URLQWDBASA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500608756 1071503509 /nfs/dbraw/zinc/50/35/09/1071503509.db2.gz XYRFHORJUOAINO-ZSZQSSIHSA-N 1 2 432.525 -0.326 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500608756 1071503497 /nfs/dbraw/zinc/50/34/97/1071503497.db2.gz XYRFHORJUOAINO-ZSZQSSIHSA-N 1 2 432.525 -0.326 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000500629834 1071503315 /nfs/dbraw/zinc/50/33/15/1071503315.db2.gz FTVLNZCJFHFCCL-HNNXBMFYSA-N 1 2 437.472 -0.165 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000500629835 1071503268 /nfs/dbraw/zinc/50/32/68/1071503268.db2.gz FTVLNZCJFHFCCL-OAHLLOKOSA-N 1 2 437.472 -0.165 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000500635571 1071504186 /nfs/dbraw/zinc/50/41/86/1071504186.db2.gz BWTSCAUCFCWQQG-AWEZNQCLSA-N 1 2 442.463 -0.109 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000500635573 1071504165 /nfs/dbraw/zinc/50/41/65/1071504165.db2.gz BWTSCAUCFCWQQG-CQSZACIVSA-N 1 2 442.463 -0.109 20 0 IBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000500636397 1071504058 /nfs/dbraw/zinc/50/40/58/1071504058.db2.gz DHKKMTFKGYVMLF-AWEZNQCLSA-N 1 2 446.501 -0.834 20 0 IBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000500636399 1071503970 /nfs/dbraw/zinc/50/39/70/1071503970.db2.gz DHKKMTFKGYVMLF-CQSZACIVSA-N 1 2 446.501 -0.834 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000500650364 1071504778 /nfs/dbraw/zinc/50/47/78/1071504778.db2.gz VXSLORWVSVUBQF-GFCCVEGCSA-N 1 2 426.857 -0.239 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000500650365 1071504761 /nfs/dbraw/zinc/50/47/61/1071504761.db2.gz VXSLORWVSVUBQF-LBPRGKRZSA-N 1 2 426.857 -0.239 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ccc1F ZINC000500705218 1071509683 /nfs/dbraw/zinc/50/96/83/1071509683.db2.gz XPYIMCLGRYLJHB-GFCCVEGCSA-N 1 2 444.485 -0.232 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)ccc1F ZINC000500705218 1071509671 /nfs/dbraw/zinc/50/96/71/1071509671.db2.gz XPYIMCLGRYLJHB-GFCCVEGCSA-N 1 2 444.485 -0.232 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1F ZINC000500705219 1071509491 /nfs/dbraw/zinc/50/94/91/1071509491.db2.gz XPYIMCLGRYLJHB-LBPRGKRZSA-N 1 2 444.485 -0.232 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1F ZINC000500705219 1071509480 /nfs/dbraw/zinc/50/94/80/1071509480.db2.gz XPYIMCLGRYLJHB-LBPRGKRZSA-N 1 2 444.485 -0.232 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000500767820 1071517714 /nfs/dbraw/zinc/51/77/14/1071517714.db2.gz NUWQVASYNWNVQM-INIZCTEOSA-N 1 2 446.508 -0.417 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000500767822 1071517866 /nfs/dbraw/zinc/51/78/66/1071517866.db2.gz NUWQVASYNWNVQM-MRXNPFEDSA-N 1 2 446.508 -0.417 20 0 IBADLO CCSCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500799145 1071521631 /nfs/dbraw/zinc/52/16/31/1071521631.db2.gz JERJFMWXOCFOKX-HNNXBMFYSA-N 1 2 435.616 -0.729 20 0 IBADLO CCSCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500799149 1071521902 /nfs/dbraw/zinc/52/19/02/1071521902.db2.gz JERJFMWXOCFOKX-OAHLLOKOSA-N 1 2 435.616 -0.729 20 0 IBADLO Cc1cnc(N)c(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000500815615 1071522436 /nfs/dbraw/zinc/52/24/36/1071522436.db2.gz UFNIRBRDEFJLBH-UHFFFAOYSA-N 1 2 440.551 -0.202 20 0 IBADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000500815778 1071522463 /nfs/dbraw/zinc/52/24/63/1071522463.db2.gz MTTUWEUESQAKTM-HNNXBMFYSA-N 1 2 445.567 -0.638 20 0 IBADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000500815779 1071522363 /nfs/dbraw/zinc/52/23/63/1071522363.db2.gz MTTUWEUESQAKTM-OAHLLOKOSA-N 1 2 445.567 -0.638 20 0 IBADLO O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500832797 1071523675 /nfs/dbraw/zinc/52/36/75/1071523675.db2.gz GVRYMDFHYHIUAC-AWEZNQCLSA-N 1 2 432.485 -0.867 20 0 IBADLO O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500832797 1071523668 /nfs/dbraw/zinc/52/36/68/1071523668.db2.gz GVRYMDFHYHIUAC-AWEZNQCLSA-N 1 2 432.485 -0.867 20 0 IBADLO O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000500832806 1071523640 /nfs/dbraw/zinc/52/36/40/1071523640.db2.gz GVRYMDFHYHIUAC-CQSZACIVSA-N 1 2 432.485 -0.867 20 0 IBADLO O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000500832806 1071523631 /nfs/dbraw/zinc/52/36/31/1071523631.db2.gz GVRYMDFHYHIUAC-CQSZACIVSA-N 1 2 432.485 -0.867 20 0 IBADLO CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000500893535 1071568342 /nfs/dbraw/zinc/56/83/42/1071568342.db2.gz RCAJBWKVGVSHJU-DZGCQCFKSA-N 1 2 432.485 -0.151 20 0 IBADLO CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000500893538 1071568388 /nfs/dbraw/zinc/56/83/88/1071568388.db2.gz RCAJBWKVGVSHJU-HIFRSBDPSA-N 1 2 432.485 -0.151 20 0 IBADLO CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000500893540 1071568489 /nfs/dbraw/zinc/56/84/89/1071568489.db2.gz RCAJBWKVGVSHJU-UKRRQHHQSA-N 1 2 432.485 -0.151 20 0 IBADLO CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000500893542 1071568437 /nfs/dbraw/zinc/56/84/37/1071568437.db2.gz RCAJBWKVGVSHJU-ZFWWWQNUSA-N 1 2 432.485 -0.151 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n(C(C)(C)C)n1 ZINC000500977458 1071600086 /nfs/dbraw/zinc/60/00/86/1071600086.db2.gz CPMZCIBXVIZMSH-UHFFFAOYSA-N 1 2 441.602 -0.005 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000501019702 1071646297 /nfs/dbraw/zinc/64/62/97/1071646297.db2.gz BACFXMKCEBXBCV-UHFFFAOYSA-N 1 2 432.930 -0.011 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1=O ZINC000501039537 1071646237 /nfs/dbraw/zinc/64/62/37/1071646237.db2.gz FJDMTTRTAYZHLB-HKUYNNGSSA-N 1 2 448.520 -0.083 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1=O ZINC000501039539 1071646141 /nfs/dbraw/zinc/64/61/41/1071646141.db2.gz FJDMTTRTAYZHLB-IEBWSBKVSA-N 1 2 448.520 -0.083 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1=O ZINC000501039542 1071646773 /nfs/dbraw/zinc/64/67/73/1071646773.db2.gz FJDMTTRTAYZHLB-MJGOQNOKSA-N 1 2 448.520 -0.083 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1=O ZINC000501039545 1071646827 /nfs/dbraw/zinc/64/68/27/1071646827.db2.gz FJDMTTRTAYZHLB-PKOBYXMFSA-N 1 2 448.520 -0.083 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000501045044 1071646884 /nfs/dbraw/zinc/64/68/84/1071646884.db2.gz MFGVGGIBTCIXRV-AWEZNQCLSA-N 1 2 430.469 -0.641 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000501045045 1071646794 /nfs/dbraw/zinc/64/67/94/1071646794.db2.gz MFGVGGIBTCIXRV-CQSZACIVSA-N 1 2 430.469 -0.641 20 0 IBADLO COC(=O)c1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000501301473 1071653805 /nfs/dbraw/zinc/65/38/05/1071653805.db2.gz AFUGFAKRMMAKSO-UHFFFAOYSA-N 1 2 434.478 -0.460 20 0 IBADLO O=C(CC(=O)NCC(F)(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501318423 1071653848 /nfs/dbraw/zinc/65/38/48/1071653848.db2.gz YLXVOTIFBPZTKY-UHFFFAOYSA-N 1 2 437.444 -0.282 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000501380063 1071655474 /nfs/dbraw/zinc/65/54/74/1071655474.db2.gz BWUCHSFEWDQDQT-INIZCTEOSA-N 1 2 431.493 -0.209 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000501380070 1071655453 /nfs/dbraw/zinc/65/54/53/1071655453.db2.gz BWUCHSFEWDQDQT-MRXNPFEDSA-N 1 2 431.493 -0.209 20 0 IBADLO CCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000501469018 1071658597 /nfs/dbraw/zinc/65/85/97/1071658597.db2.gz DBTXDMCQWVPUMJ-UHFFFAOYSA-N 1 2 441.529 -0.037 20 0 IBADLO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501470698 1071658565 /nfs/dbraw/zinc/65/85/65/1071658565.db2.gz YKGQJJXVRJMPAJ-INIZCTEOSA-N 1 2 432.525 -0.079 20 0 IBADLO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501470707 1071658637 /nfs/dbraw/zinc/65/86/37/1071658637.db2.gz YKGQJJXVRJMPAJ-MRXNPFEDSA-N 1 2 432.525 -0.079 20 0 IBADLO C[NH+]1CCN(C(=O)Cn2cc(NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)cn2)CC1 ZINC000501502717 1071659056 /nfs/dbraw/zinc/65/90/56/1071659056.db2.gz ZKUSFRSCQNZIPL-UHFFFAOYSA-N 1 2 446.533 -0.077 20 0 IBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000501534283 1071660144 /nfs/dbraw/zinc/66/01/44/1071660144.db2.gz CWFCVRNEAAUNNN-INIZCTEOSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000501534283 1071660139 /nfs/dbraw/zinc/66/01/39/1071660139.db2.gz CWFCVRNEAAUNNN-INIZCTEOSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000501534289 1071660233 /nfs/dbraw/zinc/66/02/33/1071660233.db2.gz CWFCVRNEAAUNNN-MRXNPFEDSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@H+]1CCSC[C@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000501534289 1071660228 /nfs/dbraw/zinc/66/02/28/1071660228.db2.gz CWFCVRNEAAUNNN-MRXNPFEDSA-N 1 2 429.564 -0.267 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000501711896 1071666041 /nfs/dbraw/zinc/66/60/41/1071666041.db2.gz XIBWKXXJGNOTEZ-INIZCTEOSA-N 1 2 425.559 -0.288 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000501711897 1071666136 /nfs/dbraw/zinc/66/61/36/1071666136.db2.gz XIBWKXXJGNOTEZ-MRXNPFEDSA-N 1 2 425.559 -0.288 20 0 IBADLO CNC(=O)c1cccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000501757815 1071667557 /nfs/dbraw/zinc/66/75/57/1071667557.db2.gz FDADBIGCGDXJSJ-UHFFFAOYSA-N 1 2 437.566 -0.385 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000501803603 1071668155 /nfs/dbraw/zinc/66/81/55/1071668155.db2.gz PFOUHVSCLRCIBC-QGZVFWFLSA-N 1 2 440.570 -0.447 20 0 IBADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000501808502 1071667417 /nfs/dbraw/zinc/66/74/17/1071667417.db2.gz PBTDPAOSXUXZMZ-QAPCUYQASA-N 1 2 429.539 -0.193 20 0 IBADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000501808630 1071667371 /nfs/dbraw/zinc/66/73/71/1071667371.db2.gz PBTDPAOSXUXZMZ-YJBOKZPZSA-N 1 2 429.539 -0.193 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000501828464 1071668022 /nfs/dbraw/zinc/66/80/22/1071668022.db2.gz QNPFUXZMKQVXTF-BBRMVZONSA-N 1 2 428.511 -0.879 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000501828477 1071668055 /nfs/dbraw/zinc/66/80/55/1071668055.db2.gz QNPFUXZMKQVXTF-XJKSGUPXSA-N 1 2 428.511 -0.879 20 0 IBADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000501831605 1071668088 /nfs/dbraw/zinc/66/80/88/1071668088.db2.gz RDMLPCHQUUNIQT-GJZGRUSLSA-N 1 2 443.522 -0.676 20 0 IBADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000501831609 1071668175 /nfs/dbraw/zinc/66/81/75/1071668175.db2.gz RDMLPCHQUUNIQT-LSDHHAIUSA-N 1 2 443.522 -0.676 20 0 IBADLO O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000501846092 1072426254 /nfs/dbraw/zinc/42/62/54/1072426254.db2.gz VPYNRCURJZXOHT-KRWDZBQOSA-N 1 2 431.493 -0.748 20 0 IBADLO O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000501846093 1072426262 /nfs/dbraw/zinc/42/62/62/1072426262.db2.gz VPYNRCURJZXOHT-QGZVFWFLSA-N 1 2 431.493 -0.748 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000501849317 1071668618 /nfs/dbraw/zinc/66/86/18/1071668618.db2.gz IWVMNLSNEYSZQT-BRWVUGGUSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000501849320 1071668731 /nfs/dbraw/zinc/66/87/31/1071668731.db2.gz IWVMNLSNEYSZQT-IKGGRYGDSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000501849322 1071668760 /nfs/dbraw/zinc/66/87/60/1071668760.db2.gz IWVMNLSNEYSZQT-YESZJQIVSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000501849324 1071668682 /nfs/dbraw/zinc/66/86/82/1071668682.db2.gz IWVMNLSNEYSZQT-ZACQAIPSSA-N 1 2 433.575 -0.612 20 0 IBADLO CN(C)c1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000501902469 1071670548 /nfs/dbraw/zinc/67/05/48/1071670548.db2.gz WPEOYGQUYLRWHL-UHFFFAOYSA-N 1 2 441.496 -0.544 20 0 IBADLO CN(C)c1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000501902469 1071670544 /nfs/dbraw/zinc/67/05/44/1071670544.db2.gz WPEOYGQUYLRWHL-UHFFFAOYSA-N 1 2 441.496 -0.544 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000501913705 1071671155 /nfs/dbraw/zinc/67/11/55/1071671155.db2.gz YLJMCLHERIEATR-HDMKZQKVSA-N 1 2 431.580 -0.654 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000501913718 1071671076 /nfs/dbraw/zinc/67/10/76/1071671076.db2.gz YLJMCLHERIEATR-IIDMSEBBSA-N 1 2 431.580 -0.654 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000501913722 1071671201 /nfs/dbraw/zinc/67/12/01/1071671201.db2.gz YLJMCLHERIEATR-RLFYNMQTSA-N 1 2 431.580 -0.654 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000501913726 1071671094 /nfs/dbraw/zinc/67/10/94/1071671094.db2.gz YLJMCLHERIEATR-RVKKMQEKSA-N 1 2 431.580 -0.654 20 0 IBADLO CN(C)c1ncc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000501951701 1071671046 /nfs/dbraw/zinc/67/10/46/1071671046.db2.gz SSYUFZFUCXSZKY-UHFFFAOYSA-N 1 2 426.481 -0.269 20 0 IBADLO COc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000502015657 1071676762 /nfs/dbraw/zinc/67/67/62/1071676762.db2.gz MNCHCKPKOGZUIJ-HKUYNNGSSA-N 1 2 448.520 -0.936 20 0 IBADLO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000502015664 1071676827 /nfs/dbraw/zinc/67/68/27/1071676827.db2.gz MNCHCKPKOGZUIJ-IEBWSBKVSA-N 1 2 448.520 -0.936 20 0 IBADLO COc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000502015666 1071676726 /nfs/dbraw/zinc/67/67/26/1071676726.db2.gz MNCHCKPKOGZUIJ-MJGOQNOKSA-N 1 2 448.520 -0.936 20 0 IBADLO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000502015669 1071677263 /nfs/dbraw/zinc/67/72/63/1071677263.db2.gz MNCHCKPKOGZUIJ-PKOBYXMFSA-N 1 2 448.520 -0.936 20 0 IBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCCC1 ZINC000502026195 1071676205 /nfs/dbraw/zinc/67/62/05/1071676205.db2.gz ZXTOBODQSONKGP-UHFFFAOYSA-N 1 2 438.554 -0.155 20 0 IBADLO CCOC(=O)c1cnc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000502083732 1071679971 /nfs/dbraw/zinc/67/99/71/1071679971.db2.gz YSFRTZHGBXKFRF-UHFFFAOYSA-N 1 2 439.538 -0.183 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCCS(=O)(=O)N1CCSCC1 ZINC000502088448 1071679457 /nfs/dbraw/zinc/67/94/57/1071679457.db2.gz FRGGJMAQTNSDMM-UHFFFAOYSA-N 1 2 443.599 -0.724 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000502101672 1071680525 /nfs/dbraw/zinc/68/05/25/1071680525.db2.gz SIYIJDHRCHWRDK-INIZCTEOSA-N 1 2 438.641 -0.128 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000502101673 1071680604 /nfs/dbraw/zinc/68/06/04/1071680604.db2.gz SIYIJDHRCHWRDK-MRXNPFEDSA-N 1 2 438.641 -0.128 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000502105030 1071681053 /nfs/dbraw/zinc/68/10/53/1071681053.db2.gz MBHRTVJVPQHMSX-CABCVRRESA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000502105030 1071681045 /nfs/dbraw/zinc/68/10/45/1071681045.db2.gz MBHRTVJVPQHMSX-CABCVRRESA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000502105033 1071681148 /nfs/dbraw/zinc/68/11/48/1071681148.db2.gz MBHRTVJVPQHMSX-GJZGRUSLSA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000502105033 1071681139 /nfs/dbraw/zinc/68/11/39/1071681139.db2.gz MBHRTVJVPQHMSX-GJZGRUSLSA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000502105036 1071681167 /nfs/dbraw/zinc/68/11/67/1071681167.db2.gz MBHRTVJVPQHMSX-HUUCEWRRSA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000502105036 1071681162 /nfs/dbraw/zinc/68/11/62/1071681162.db2.gz MBHRTVJVPQHMSX-HUUCEWRRSA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000502105038 1071681205 /nfs/dbraw/zinc/68/12/05/1071681205.db2.gz MBHRTVJVPQHMSX-LSDHHAIUSA-N 1 2 429.481 -0.065 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000502105038 1071681200 /nfs/dbraw/zinc/68/12/00/1071681200.db2.gz MBHRTVJVPQHMSX-LSDHHAIUSA-N 1 2 429.481 -0.065 20 0 IBADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502109228 1071681824 /nfs/dbraw/zinc/68/18/24/1071681824.db2.gz KOMIMMZSSCVQBU-CABCVRRESA-N 1 2 445.563 -0.820 20 0 IBADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502109229 1071681633 /nfs/dbraw/zinc/68/16/33/1071681633.db2.gz KOMIMMZSSCVQBU-GJZGRUSLSA-N 1 2 445.563 -0.820 20 0 IBADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502109230 1071681622 /nfs/dbraw/zinc/68/16/22/1071681622.db2.gz KOMIMMZSSCVQBU-HUUCEWRRSA-N 1 2 445.563 -0.820 20 0 IBADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502109231 1071681676 /nfs/dbraw/zinc/68/16/76/1071681676.db2.gz KOMIMMZSSCVQBU-LSDHHAIUSA-N 1 2 445.563 -0.820 20 0 IBADLO CC(C)(C)S(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502208244 1071684884 /nfs/dbraw/zinc/68/48/84/1071684884.db2.gz LZYVKPVJXOSKBP-UHFFFAOYSA-N 1 2 432.568 -0.137 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502274724 1071688990 /nfs/dbraw/zinc/68/89/90/1071688990.db2.gz YWLKXLPKZKEWOQ-CABCVRRESA-N 1 2 426.481 -0.719 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502274725 1071688997 /nfs/dbraw/zinc/68/89/97/1071688997.db2.gz YWLKXLPKZKEWOQ-GJZGRUSLSA-N 1 2 426.481 -0.719 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502274726 1071688893 /nfs/dbraw/zinc/68/88/93/1071688893.db2.gz YWLKXLPKZKEWOQ-HUUCEWRRSA-N 1 2 426.481 -0.719 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502274727 1071688926 /nfs/dbraw/zinc/68/89/26/1071688926.db2.gz YWLKXLPKZKEWOQ-LSDHHAIUSA-N 1 2 426.481 -0.719 20 0 IBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000502297105 1071689968 /nfs/dbraw/zinc/68/99/68/1071689968.db2.gz BBEBISLXADHBGG-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000502297105 1071689964 /nfs/dbraw/zinc/68/99/64/1071689964.db2.gz BBEBISLXADHBGG-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000502297107 1071689930 /nfs/dbraw/zinc/68/99/30/1071689930.db2.gz BBEBISLXADHBGG-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000502297107 1071689925 /nfs/dbraw/zinc/68/99/25/1071689925.db2.gz BBEBISLXADHBGG-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000502297109 1071690015 /nfs/dbraw/zinc/69/00/15/1071690015.db2.gz BBEBISLXADHBGG-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000502297109 1071690012 /nfs/dbraw/zinc/69/00/12/1071690012.db2.gz BBEBISLXADHBGG-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000502297110 1071689953 /nfs/dbraw/zinc/68/99/53/1071689953.db2.gz BBEBISLXADHBGG-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000502297110 1071689949 /nfs/dbraw/zinc/68/99/49/1071689949.db2.gz BBEBISLXADHBGG-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO CC(C)(CNC(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)[NH+]1CCOCC1 ZINC000502311200 1071691489 /nfs/dbraw/zinc/69/14/89/1071691489.db2.gz GHHKHUXOXBTHJL-KRWDZBQOSA-N 1 2 432.587 -0.660 20 0 IBADLO CC(C)(CNC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)[NH+]1CCOCC1 ZINC000502311201 1071691528 /nfs/dbraw/zinc/69/15/28/1071691528.db2.gz GHHKHUXOXBTHJL-QGZVFWFLSA-N 1 2 432.587 -0.660 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338986 1071691739 /nfs/dbraw/zinc/69/17/39/1071691739.db2.gz FIMMYQRHNFNEPZ-DOTOQJQBSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338986 1071691735 /nfs/dbraw/zinc/69/17/35/1071691735.db2.gz FIMMYQRHNFNEPZ-DOTOQJQBSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338989 1071691653 /nfs/dbraw/zinc/69/16/53/1071691653.db2.gz FIMMYQRHNFNEPZ-NVXWUHKLSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338989 1071691648 /nfs/dbraw/zinc/69/16/48/1071691648.db2.gz FIMMYQRHNFNEPZ-NVXWUHKLSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338991 1071691688 /nfs/dbraw/zinc/69/16/88/1071691688.db2.gz FIMMYQRHNFNEPZ-RDJZCZTQSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338991 1071691685 /nfs/dbraw/zinc/69/16/85/1071691685.db2.gz FIMMYQRHNFNEPZ-RDJZCZTQSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338993 1071691677 /nfs/dbraw/zinc/69/16/77/1071691677.db2.gz FIMMYQRHNFNEPZ-WBVHZDCISA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502338993 1071691671 /nfs/dbraw/zinc/69/16/71/1071691671.db2.gz FIMMYQRHNFNEPZ-WBVHZDCISA-N 1 2 431.555 -0.087 20 0 IBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502341209 1071691706 /nfs/dbraw/zinc/69/17/06/1071691706.db2.gz LRRNEAMFNNOQQZ-KRWDZBQOSA-N 1 2 431.555 -0.086 20 0 IBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502341209 1071691701 /nfs/dbraw/zinc/69/17/01/1071691701.db2.gz LRRNEAMFNNOQQZ-KRWDZBQOSA-N 1 2 431.555 -0.086 20 0 IBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502341210 1071691718 /nfs/dbraw/zinc/69/17/18/1071691718.db2.gz LRRNEAMFNNOQQZ-QGZVFWFLSA-N 1 2 431.555 -0.086 20 0 IBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502341210 1071691713 /nfs/dbraw/zinc/69/17/13/1071691713.db2.gz LRRNEAMFNNOQQZ-QGZVFWFLSA-N 1 2 431.555 -0.086 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000502382099 1071692851 /nfs/dbraw/zinc/69/28/51/1071692851.db2.gz UNWXBUOEPVTKSM-KRWDZBQOSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000502382099 1071692848 /nfs/dbraw/zinc/69/28/48/1071692848.db2.gz UNWXBUOEPVTKSM-KRWDZBQOSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000502382100 1071692785 /nfs/dbraw/zinc/69/27/85/1071692785.db2.gz UNWXBUOEPVTKSM-QGZVFWFLSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000502382100 1071692779 /nfs/dbraw/zinc/69/27/79/1071692779.db2.gz UNWXBUOEPVTKSM-QGZVFWFLSA-N 1 2 428.555 -0.806 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)CCNC(=O)C(C)C)CC1 ZINC000502551949 1071695623 /nfs/dbraw/zinc/69/56/23/1071695623.db2.gz CZCJGPHBMJQYHH-UHFFFAOYSA-N 1 2 429.543 -0.172 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CCNC(=O)C(C)C)CC1 ZINC000502551949 1071695616 /nfs/dbraw/zinc/69/56/16/1071695616.db2.gz CZCJGPHBMJQYHH-UHFFFAOYSA-N 1 2 429.543 -0.172 20 0 IBADLO CC[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000502570904 1071695756 /nfs/dbraw/zinc/69/57/56/1071695756.db2.gz SADCNLLVHGDUQK-DLBZAZTESA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000502570905 1071695541 /nfs/dbraw/zinc/69/55/41/1071695541.db2.gz SADCNLLVHGDUQK-IAGOWNOFSA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000502570906 1071695676 /nfs/dbraw/zinc/69/56/76/1071695676.db2.gz SADCNLLVHGDUQK-IRXDYDNUSA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000502570907 1071695654 /nfs/dbraw/zinc/69/56/54/1071695654.db2.gz SADCNLLVHGDUQK-SJORKVTESA-N 1 2 429.587 -0.292 20 0 IBADLO Cc1cccc(C)c1-n1nnnc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000502581703 1071696253 /nfs/dbraw/zinc/69/62/53/1071696253.db2.gz NMRKSXKYQLSKTJ-UHFFFAOYSA-N 1 2 434.570 -0.111 20 0 IBADLO NC(=O)c1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000502629082 1071697006 /nfs/dbraw/zinc/69/70/06/1071697006.db2.gz VGBDUCKGWMCBEC-UHFFFAOYSA-N 1 2 437.482 -0.880 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@H](S(C)(=O)=O)CC2)CC1 ZINC000502804077 1071705835 /nfs/dbraw/zinc/70/58/35/1071705835.db2.gz SFXDEWOVZPJRFT-HNNXBMFYSA-N 1 2 435.554 -0.089 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC000502804078 1071705736 /nfs/dbraw/zinc/70/57/36/1071705736.db2.gz SFXDEWOVZPJRFT-OAHLLOKOSA-N 1 2 435.554 -0.089 20 0 IBADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)nc1 ZINC000502910705 1071707527 /nfs/dbraw/zinc/70/75/27/1071707527.db2.gz CDNHYGWPQVCTTB-UHFFFAOYSA-N 1 2 444.492 -0.367 20 0 IBADLO CCOC(=O)c1ccc(N2CCC[N@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)nc1 ZINC000502910705 1071707521 /nfs/dbraw/zinc/70/75/21/1071707521.db2.gz CDNHYGWPQVCTTB-UHFFFAOYSA-N 1 2 444.492 -0.367 20 0 IBADLO C[C@@H](CS(C)(=O)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502911502 1071707560 /nfs/dbraw/zinc/70/75/60/1071707560.db2.gz HSXVYUAZYGPHAE-AWEZNQCLSA-N 1 2 433.556 -0.734 20 0 IBADLO C[C@H](CS(C)(=O)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502911503 1071707641 /nfs/dbraw/zinc/70/76/41/1071707641.db2.gz HSXVYUAZYGPHAE-CQSZACIVSA-N 1 2 433.556 -0.734 20 0 IBADLO CCS(=O)(=O)C[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502914011 1071707660 /nfs/dbraw/zinc/70/76/60/1071707660.db2.gz UQLSVTWVZUQXNN-HNNXBMFYSA-N 1 2 447.583 -0.344 20 0 IBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502914012 1071707597 /nfs/dbraw/zinc/70/75/97/1071707597.db2.gz UQLSVTWVZUQXNN-OAHLLOKOSA-N 1 2 447.583 -0.344 20 0 IBADLO CN1C[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000503029928 1071710972 /nfs/dbraw/zinc/71/09/72/1071710972.db2.gz HUNAKYZZYOLSFG-NVXWUHKLSA-N 1 2 428.493 -0.513 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN(C(=O)CO)CC3)CC2)cc1OC ZINC000503172141 1071713660 /nfs/dbraw/zinc/71/36/60/1071713660.db2.gz WQNGBCISZJGOQX-UHFFFAOYSA-N 1 2 434.537 -0.207 20 0 IBADLO CC(C)COC[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503173637 1071713518 /nfs/dbraw/zinc/71/35/18/1071713518.db2.gz SGMXLLIMQLXZOO-KRWDZBQOSA-N 1 2 443.570 -0.134 20 0 IBADLO CC(C)COC[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503173641 1071713687 /nfs/dbraw/zinc/71/36/87/1071713687.db2.gz SGMXLLIMQLXZOO-QGZVFWFLSA-N 1 2 443.570 -0.134 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nnc2n1CCCC2 ZINC000503207687 1071717132 /nfs/dbraw/zinc/71/71/32/1071717132.db2.gz RKBDOSGQUYRCOX-UHFFFAOYSA-N 1 2 448.553 -0.039 20 0 IBADLO NC(=O)CC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503209976 1071717021 /nfs/dbraw/zinc/71/70/21/1071717021.db2.gz XEEPBDKQOBOCAC-UHFFFAOYSA-N 1 2 438.554 -0.170 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000503216113 1071716572 /nfs/dbraw/zinc/71/65/72/1071716572.db2.gz BIROPWGCYCJPFQ-KRWDZBQOSA-N 1 2 442.524 -0.665 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000503216114 1071716585 /nfs/dbraw/zinc/71/65/85/1071716585.db2.gz BIROPWGCYCJPFQ-QGZVFWFLSA-N 1 2 442.524 -0.665 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000503218130 1071716595 /nfs/dbraw/zinc/71/65/95/1071716595.db2.gz QUTRVDKOYBDWRZ-AWEZNQCLSA-N 1 2 431.540 -0.980 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000503218131 1071716676 /nfs/dbraw/zinc/71/66/76/1071716676.db2.gz QUTRVDKOYBDWRZ-CQSZACIVSA-N 1 2 431.540 -0.980 20 0 IBADLO CC(C)NC(=O)CN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000503224827 1071717002 /nfs/dbraw/zinc/71/70/02/1071717002.db2.gz UVBZKDHXXYNJLR-UHFFFAOYSA-N 1 2 443.556 -0.846 20 0 IBADLO CC(=O)N1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503236848 1071717646 /nfs/dbraw/zinc/71/76/46/1071717646.db2.gz DINRUHVXKLGLNZ-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO CC(C)NC(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503237273 1071717977 /nfs/dbraw/zinc/71/79/77/1071717977.db2.gz FNDVCDSNLIJOSR-UHFFFAOYSA-N 1 2 426.543 -0.253 20 0 IBADLO COCCN(CCOC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503237529 1071717678 /nfs/dbraw/zinc/71/76/78/1071717678.db2.gz AOOQHXWVEWBBKV-UHFFFAOYSA-N 1 2 429.543 -0.162 20 0 IBADLO O=C(NCCCN1CCCC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503237596 1071717537 /nfs/dbraw/zinc/71/75/37/1071717537.db2.gz BHJAUZXHYSZBJK-UHFFFAOYSA-N 1 2 438.554 -0.155 20 0 IBADLO O=C(NCCN1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503238822 1071718044 /nfs/dbraw/zinc/71/80/44/1071718044.db2.gz BYZYXANPRIFQOY-UHFFFAOYSA-N 1 2 426.543 -0.835 20 0 IBADLO O=C(NCCNc1cnccn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503244051 1073326088 /nfs/dbraw/zinc/32/60/88/1073326088.db2.gz SXTKSMRPXMMURF-UHFFFAOYSA-N 1 2 434.526 -0.265 20 0 IBADLO O=C(CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000503244477 1071718148 /nfs/dbraw/zinc/71/81/48/1071718148.db2.gz PKSOMXOKARJBCK-UHFFFAOYSA-N 1 2 438.554 -0.109 20 0 IBADLO CC(=O)N1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503248034 1071717962 /nfs/dbraw/zinc/71/79/62/1071717962.db2.gz YNQZYWJBXSVULT-UHFFFAOYSA-N 1 2 438.554 -0.157 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000503268452 1071719614 /nfs/dbraw/zinc/71/96/14/1071719614.db2.gz WEYZPVLQRGABPM-UHFFFAOYSA-N 1 2 436.432 -0.019 20 0 IBADLO CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000503268456 1071719532 /nfs/dbraw/zinc/71/95/32/1071719532.db2.gz WGMMJNXBTNFJBN-UHFFFAOYSA-N 1 2 439.538 -0.340 20 0 IBADLO COCCNc1nc(N2CCN(C(C)C)C(=O)C2)[nH+]c(N2CCN(C(C)C)C(=O)C2)n1 ZINC000503277959 1071719068 /nfs/dbraw/zinc/71/90/68/1071719068.db2.gz XWAVWXCOSHZPDI-UHFFFAOYSA-N 1 2 434.545 -0.534 20 0 IBADLO COCCNc1nc(N2CCN(C(C)C)C(=O)C2)nc(N2CCN(C(C)C)C(=O)C2)[nH+]1 ZINC000503277959 1071719062 /nfs/dbraw/zinc/71/90/62/1071719062.db2.gz XWAVWXCOSHZPDI-UHFFFAOYSA-N 1 2 434.545 -0.534 20 0 IBADLO CC(C)N1CCN(c2nc(N3CCOCC3)nc(N3CCN(C(C)C)C(=O)C3)[nH+]2)CC1=O ZINC000503322411 1071720517 /nfs/dbraw/zinc/72/05/17/1071720517.db2.gz ZXQWFGFMWBRYLS-UHFFFAOYSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(C)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCN(C(C)C)C(=O)C3)n2)CC1=O ZINC000503322411 1071720509 /nfs/dbraw/zinc/72/05/09/1071720509.db2.gz ZXQWFGFMWBRYLS-UHFFFAOYSA-N 1 2 446.556 -0.178 20 0 IBADLO CC(CC(=O)N1CCN(CCO)CC1)(CC(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000503344604 1071721386 /nfs/dbraw/zinc/72/13/86/1071721386.db2.gz MSTOVMRWTHKPCN-UHFFFAOYSA-N 1 2 446.592 -0.003 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000503391408 1071722368 /nfs/dbraw/zinc/72/23/68/1071722368.db2.gz WROUYOSYVLFXGV-HNNXBMFYSA-N 1 2 441.510 -0.883 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000503391409 1071722484 /nfs/dbraw/zinc/72/24/84/1071722484.db2.gz WROUYOSYVLFXGV-OAHLLOKOSA-N 1 2 441.510 -0.883 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000503661089 1071729571 /nfs/dbraw/zinc/72/95/71/1071729571.db2.gz YXIDYNWLHBUTHD-UHFFFAOYSA-N 1 2 437.522 -0.274 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)CC2)c1 ZINC000503675044 1071730704 /nfs/dbraw/zinc/73/07/04/1071730704.db2.gz YLXLDMQLRMVPTH-UHFFFAOYSA-N 1 2 437.522 -0.070 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000503689957 1071731181 /nfs/dbraw/zinc/73/11/81/1071731181.db2.gz XRDBRJNZSMNLFK-UHFFFAOYSA-N 1 2 437.522 -0.274 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000503701231 1071731197 /nfs/dbraw/zinc/73/11/97/1071731197.db2.gz OYYORWUCILGNCR-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@H]2CCO[C@H]21 ZINC000503775682 1071732474 /nfs/dbraw/zinc/73/24/74/1071732474.db2.gz QRUWPKUFOKNXQU-ATZDWAIDSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@H]2CCO[C@H]21 ZINC000503775682 1071732469 /nfs/dbraw/zinc/73/24/69/1071732469.db2.gz QRUWPKUFOKNXQU-ATZDWAIDSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000503775683 1071732573 /nfs/dbraw/zinc/73/25/73/1071732573.db2.gz QRUWPKUFOKNXQU-IPELMVKDSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@@H]2CCO[C@@H]21 ZINC000503775683 1071732563 /nfs/dbraw/zinc/73/25/63/1071732563.db2.gz QRUWPKUFOKNXQU-IPELMVKDSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@@H]2CCO[C@H]21 ZINC000503775684 1071732486 /nfs/dbraw/zinc/73/24/86/1071732486.db2.gz QRUWPKUFOKNXQU-KFKAGJAMSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@@H]2CCO[C@H]21 ZINC000503775684 1071732483 /nfs/dbraw/zinc/73/24/83/1071732483.db2.gz QRUWPKUFOKNXQU-KFKAGJAMSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[C@H]2CCO[C@@H]21 ZINC000503775685 1071732617 /nfs/dbraw/zinc/73/26/17/1071732617.db2.gz QRUWPKUFOKNXQU-LZQZEXGQSA-N 1 2 444.536 -0.109 20 0 IBADLO CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[C@H]2CCO[C@@H]21 ZINC000503775685 1071732608 /nfs/dbraw/zinc/73/26/08/1071732608.db2.gz QRUWPKUFOKNXQU-LZQZEXGQSA-N 1 2 444.536 -0.109 20 0 IBADLO CS[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000503816816 1071733073 /nfs/dbraw/zinc/73/30/73/1071733073.db2.gz MOAUOKJCIGIXLG-CVEARBPZSA-N 1 2 447.627 -0.587 20 0 IBADLO CS[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000503816817 1071733183 /nfs/dbraw/zinc/73/31/83/1071733183.db2.gz MOAUOKJCIGIXLG-HOTGVXAUSA-N 1 2 447.627 -0.587 20 0 IBADLO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000503816820 1071733162 /nfs/dbraw/zinc/73/31/62/1071733162.db2.gz MOAUOKJCIGIXLG-HZPDHXFCSA-N 1 2 447.627 -0.587 20 0 IBADLO CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000503816823 1071733140 /nfs/dbraw/zinc/73/31/40/1071733140.db2.gz MOAUOKJCIGIXLG-JKSUJKDBSA-N 1 2 447.627 -0.587 20 0 IBADLO Cc1cc(C)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000503958460 1071734969 /nfs/dbraw/zinc/73/49/69/1071734969.db2.gz QRWHQZLBSKYQNF-UHFFFAOYSA-N 1 2 426.543 -0.277 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)ccn2)CC1 ZINC000503960508 1071734999 /nfs/dbraw/zinc/73/49/99/1071734999.db2.gz FRLFZQWNTOGSDI-ZWKOTPCHSA-N 1 2 431.493 -0.186 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nnc2ccccn21 ZINC000503986819 1071735105 /nfs/dbraw/zinc/73/51/05/1071735105.db2.gz OEHOEUBMOQTDSJ-HNNXBMFYSA-N 1 2 436.542 -0.390 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nnc2ccccn21 ZINC000503986820 1071735043 /nfs/dbraw/zinc/73/50/43/1071735043.db2.gz OEHOEUBMOQTDSJ-OAHLLOKOSA-N 1 2 436.542 -0.390 20 0 IBADLO CC(=O)Nc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000503991619 1071735681 /nfs/dbraw/zinc/73/56/81/1071735681.db2.gz RSOFYNXVWOVWFA-UHFFFAOYSA-N 1 2 438.554 -0.036 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C ZINC000504015065 1071736522 /nfs/dbraw/zinc/73/65/22/1071736522.db2.gz PGAAYLHNEIJTQE-HNNXBMFYSA-N 1 2 442.524 -0.402 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C ZINC000504015066 1071736553 /nfs/dbraw/zinc/73/65/53/1071736553.db2.gz PGAAYLHNEIJTQE-OAHLLOKOSA-N 1 2 442.524 -0.402 20 0 IBADLO CC(C)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000504022103 1071735948 /nfs/dbraw/zinc/73/59/48/1071735948.db2.gz WCHBICVFEFBQHM-UHFFFAOYSA-N 1 2 438.554 -0.204 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCS(=O)(=O)CC1 ZINC000504080273 1071738491 /nfs/dbraw/zinc/73/84/91/1071738491.db2.gz HXXFKUZAVULPNM-UHFFFAOYSA-N 1 2 445.567 -0.637 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccn[nH]1 ZINC000504298342 1071741607 /nfs/dbraw/zinc/74/16/07/1071741607.db2.gz NZNFLTBSZLLLJT-UHFFFAOYSA-N 1 2 429.485 -0.702 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccn[nH]1 ZINC000504298342 1071741600 /nfs/dbraw/zinc/74/16/00/1071741600.db2.gz NZNFLTBSZLLLJT-UHFFFAOYSA-N 1 2 429.485 -0.702 20 0 IBADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504302627 1071741370 /nfs/dbraw/zinc/74/13/70/1071741370.db2.gz NTPCVPWNHJBFEP-UHFFFAOYSA-N 1 2 438.554 -0.045 20 0 IBADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000504316060 1071742077 /nfs/dbraw/zinc/74/20/77/1071742077.db2.gz DZBBELFBRFXYHA-UHFFFAOYSA-N 1 2 430.509 -0.237 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCCNc3cccc[nH+]3)CC2)CC1 ZINC000504325563 1071741947 /nfs/dbraw/zinc/74/19/47/1071741947.db2.gz QQZAPOAGENKOTA-UHFFFAOYSA-N 1 2 425.559 -0.297 20 0 IBADLO O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000504331177 1071741870 /nfs/dbraw/zinc/74/18/70/1071741870.db2.gz XRSYTMUBOKYAQZ-HNNXBMFYSA-N 1 2 443.512 -0.266 20 0 IBADLO O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000504331177 1071741867 /nfs/dbraw/zinc/74/18/67/1071741867.db2.gz XRSYTMUBOKYAQZ-HNNXBMFYSA-N 1 2 443.512 -0.266 20 0 IBADLO O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000504331178 1071741992 /nfs/dbraw/zinc/74/19/92/1071741992.db2.gz XRSYTMUBOKYAQZ-OAHLLOKOSA-N 1 2 443.512 -0.266 20 0 IBADLO O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000504331178 1071741982 /nfs/dbraw/zinc/74/19/82/1071741982.db2.gz XRSYTMUBOKYAQZ-OAHLLOKOSA-N 1 2 443.512 -0.266 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000504356994 1071742933 /nfs/dbraw/zinc/74/29/33/1071742933.db2.gz FUNPPKCSEGPTQJ-GASCZTMLSA-N 1 2 433.509 -0.332 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000504356994 1071742922 /nfs/dbraw/zinc/74/29/22/1071742922.db2.gz FUNPPKCSEGPTQJ-GASCZTMLSA-N 1 2 433.509 -0.332 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000504357251 1071742386 /nfs/dbraw/zinc/74/23/86/1071742386.db2.gz IJPYOMRUCVVLAI-AWEZNQCLSA-N 1 2 447.492 -0.803 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000504357251 1071742380 /nfs/dbraw/zinc/74/23/80/1071742380.db2.gz IJPYOMRUCVVLAI-AWEZNQCLSA-N 1 2 447.492 -0.803 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000504357252 1071742842 /nfs/dbraw/zinc/74/28/42/1071742842.db2.gz IJPYOMRUCVVLAI-CQSZACIVSA-N 1 2 447.492 -0.803 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000504357252 1071742836 /nfs/dbraw/zinc/74/28/36/1071742836.db2.gz IJPYOMRUCVVLAI-CQSZACIVSA-N 1 2 447.492 -0.803 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000504359743 1071742990 /nfs/dbraw/zinc/74/29/90/1071742990.db2.gz WOXAKIMVUCNPLR-UHFFFAOYSA-N 1 2 433.509 -0.330 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000504359743 1071742987 /nfs/dbraw/zinc/74/29/87/1071742987.db2.gz WOXAKIMVUCNPLR-UHFFFAOYSA-N 1 2 433.509 -0.330 20 0 IBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000504375908 1071743633 /nfs/dbraw/zinc/74/36/33/1071743633.db2.gz YOEURAYMLCFUGH-UHFFFAOYSA-N 1 2 440.464 -0.906 20 0 IBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000504375908 1071743629 /nfs/dbraw/zinc/74/36/29/1071743629.db2.gz YOEURAYMLCFUGH-UHFFFAOYSA-N 1 2 440.464 -0.906 20 0 IBADLO NC(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000504387147 1071744427 /nfs/dbraw/zinc/74/44/27/1071744427.db2.gz FZHNBMYHBJBPEO-UHFFFAOYSA-N 1 2 425.449 -0.631 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000504391849 1071744025 /nfs/dbraw/zinc/74/40/25/1071744025.db2.gz PXNHDRSORBQBQD-GOSISDBHSA-N 1 2 445.520 -0.186 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000504391850 1071743960 /nfs/dbraw/zinc/74/39/60/1071743960.db2.gz PXNHDRSORBQBQD-SFHVURJKSA-N 1 2 445.520 -0.186 20 0 IBADLO CS(=O)(=O)NCC1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000504438873 1071744949 /nfs/dbraw/zinc/74/49/49/1071744949.db2.gz QFUNXRSDLOPOIY-HNNXBMFYSA-N 1 2 444.535 -0.773 20 0 IBADLO CS(=O)(=O)NCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000504438874 1071744987 /nfs/dbraw/zinc/74/49/87/1071744987.db2.gz QFUNXRSDLOPOIY-OAHLLOKOSA-N 1 2 444.535 -0.773 20 0 IBADLO CCN(CC)C(=O)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000504462576 1071745914 /nfs/dbraw/zinc/74/59/14/1071745914.db2.gz KUDJJMLRIIURPB-UHFFFAOYSA-N 1 2 432.591 -0.546 20 0 IBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504479687 1071746413 /nfs/dbraw/zinc/74/64/13/1071746413.db2.gz GZMRYNPXOODJNQ-UHFFFAOYSA-N 1 2 426.543 -0.334 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)CC1 ZINC000504498226 1074345988 /nfs/dbraw/zinc/34/59/88/1074345988.db2.gz ZMOBIMLNZZNSPM-UHFFFAOYSA-N 1 2 435.529 -0.721 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)CC1 ZINC000504498226 1074345982 /nfs/dbraw/zinc/34/59/82/1074345982.db2.gz ZMOBIMLNZZNSPM-UHFFFAOYSA-N 1 2 435.529 -0.721 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000504531141 1071747756 /nfs/dbraw/zinc/74/77/56/1071747756.db2.gz BYMRKHBMKZLDRT-UHFFFAOYSA-N 1 2 439.586 -0.419 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000504577787 1071751227 /nfs/dbraw/zinc/75/12/27/1071751227.db2.gz AIEMPKWQGZLRIR-UHFFFAOYSA-N 1 2 445.499 -0.046 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504597771 1071751707 /nfs/dbraw/zinc/75/17/07/1071751707.db2.gz NHWGUFAAKQENCT-KRWDZBQOSA-N 1 2 447.540 -0.956 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504597771 1071751705 /nfs/dbraw/zinc/75/17/05/1071751705.db2.gz NHWGUFAAKQENCT-KRWDZBQOSA-N 1 2 447.540 -0.956 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504597772 1071751684 /nfs/dbraw/zinc/75/16/84/1071751684.db2.gz NHWGUFAAKQENCT-QGZVFWFLSA-N 1 2 447.540 -0.956 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504597772 1071751681 /nfs/dbraw/zinc/75/16/81/1071751681.db2.gz NHWGUFAAKQENCT-QGZVFWFLSA-N 1 2 447.540 -0.956 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C ZINC000504625939 1071754081 /nfs/dbraw/zinc/75/40/81/1071754081.db2.gz JEQYDEWETFSVKP-KRWDZBQOSA-N 1 2 428.493 -0.107 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C ZINC000504625939 1071754073 /nfs/dbraw/zinc/75/40/73/1071754073.db2.gz JEQYDEWETFSVKP-KRWDZBQOSA-N 1 2 428.493 -0.107 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C ZINC000504625940 1071754140 /nfs/dbraw/zinc/75/41/40/1071754140.db2.gz JEQYDEWETFSVKP-QGZVFWFLSA-N 1 2 428.493 -0.107 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C ZINC000504625940 1071754131 /nfs/dbraw/zinc/75/41/31/1071754131.db2.gz JEQYDEWETFSVKP-QGZVFWFLSA-N 1 2 428.493 -0.107 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C ZINC000504637815 1071755173 /nfs/dbraw/zinc/75/51/73/1071755173.db2.gz YQZRDKMRWZFKTO-UHFFFAOYSA-N 1 2 443.512 -0.082 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C ZINC000504637815 1071755162 /nfs/dbraw/zinc/75/51/62/1071755162.db2.gz YQZRDKMRWZFKTO-UHFFFAOYSA-N 1 2 443.512 -0.082 20 0 IBADLO CNC(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000504887828 1071762313 /nfs/dbraw/zinc/76/23/13/1071762313.db2.gz FJVHXBASYMZMSF-UHFFFAOYSA-N 1 2 438.554 -0.634 20 0 IBADLO COC(=O)c1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)oc1C ZINC000505050366 1071765197 /nfs/dbraw/zinc/76/51/97/1071765197.db2.gz CBJBTMXTIBNBHD-UHFFFAOYSA-N 1 2 443.526 -0.306 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000505101808 1072469348 /nfs/dbraw/zinc/46/93/48/1072469348.db2.gz BFLYEHLCGVLOSR-FQEVSTJZSA-N 1 2 446.548 -0.194 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000505101809 1071765853 /nfs/dbraw/zinc/76/58/53/1071765853.db2.gz BFLYEHLCGVLOSR-HXUWFJFHSA-N 1 2 446.548 -0.194 20 0 IBADLO Cc1nn(C)c(C)c1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505162751 1071767645 /nfs/dbraw/zinc/76/76/45/1071767645.db2.gz SJJNXJKSKNCGLE-UHFFFAOYSA-N 1 2 427.575 -0.601 20 0 IBADLO CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000505224588 1071768290 /nfs/dbraw/zinc/76/82/90/1071768290.db2.gz JVDKKDWGCBIIJC-AWEZNQCLSA-N 1 2 444.583 -0.653 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000505224596 1071768098 /nfs/dbraw/zinc/76/80/98/1071768098.db2.gz JVDKKDWGCBIIJC-CQSZACIVSA-N 1 2 444.583 -0.653 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)cc2)CC1 ZINC000505275625 1071770200 /nfs/dbraw/zinc/77/02/00/1071770200.db2.gz VLSJXGWMLCADDY-UHFFFAOYSA-N 1 2 441.492 -0.442 20 0 IBADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nnn1Cc1ccncc1 ZINC000505403276 1071772890 /nfs/dbraw/zinc/77/28/90/1071772890.db2.gz NDTGHESVLVFGRV-UHFFFAOYSA-N 1 2 448.553 -0.720 20 0 IBADLO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505405201 1071772859 /nfs/dbraw/zinc/77/28/59/1071772859.db2.gz STAOTKNUYIJAJM-QZTJIDSGSA-N 1 2 436.582 -0.210 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505475750 1071796879 /nfs/dbraw/zinc/79/68/79/1071796879.db2.gz FTCDSUFHTQOYRQ-GOSISDBHSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505475751 1071796843 /nfs/dbraw/zinc/79/68/43/1071796843.db2.gz FTCDSUFHTQOYRQ-SFHVURJKSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505529893 1071812619 /nfs/dbraw/zinc/81/26/19/1071812619.db2.gz KVDHCXHFKCGFPT-GOSISDBHSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505529894 1071812671 /nfs/dbraw/zinc/81/26/71/1071812671.db2.gz KVDHCXHFKCGFPT-SFHVURJKSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505530633 1071812479 /nfs/dbraw/zinc/81/24/79/1071812479.db2.gz SVPWOBAWBXBSAF-GOSISDBHSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505530634 1071812512 /nfs/dbraw/zinc/81/25/12/1071812512.db2.gz SVPWOBAWBXBSAF-SFHVURJKSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505557240 1071822585 /nfs/dbraw/zinc/82/25/85/1071822585.db2.gz HSKGNMFHCNLHCC-GOSISDBHSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505557241 1071822428 /nfs/dbraw/zinc/82/24/28/1071822428.db2.gz HSKGNMFHCNLHCC-SFHVURJKSA-N 1 2 429.502 -0.011 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000505578250 1071827716 /nfs/dbraw/zinc/82/77/16/1071827716.db2.gz FUOOYSATSFFMEJ-FQEVSTJZSA-N 1 2 439.582 -0.330 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000505578251 1072477249 /nfs/dbraw/zinc/47/72/49/1072477249.db2.gz FUOOYSATSFFMEJ-HXUWFJFHSA-N 1 2 439.582 -0.330 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000505578390 1071826952 /nfs/dbraw/zinc/82/69/52/1071826952.db2.gz GWYGMFGANCEWEP-AWEZNQCLSA-N 1 2 447.492 -0.803 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000505578391 1071827691 /nfs/dbraw/zinc/82/76/91/1071827691.db2.gz GWYGMFGANCEWEP-CQSZACIVSA-N 1 2 447.492 -0.803 20 0 IBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505579418 1071826342 /nfs/dbraw/zinc/82/63/42/1071826342.db2.gz QXZFJTAULCPBEC-IBGZPJMESA-N 1 2 427.571 -0.427 20 0 IBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505579419 1071826437 /nfs/dbraw/zinc/82/64/37/1071826437.db2.gz QXZFJTAULCPBEC-LJQANCHMSA-N 1 2 427.571 -0.427 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000505583586 1071829169 /nfs/dbraw/zinc/82/91/69/1071829169.db2.gz CXYQNBNVSYRKBY-UHFFFAOYSA-N 1 2 433.509 -0.330 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505586036 1071831314 /nfs/dbraw/zinc/83/13/14/1071831314.db2.gz NCPOJRKRQPTXNJ-FQEVSTJZSA-N 1 2 441.598 -0.620 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505586039 1071831357 /nfs/dbraw/zinc/83/13/57/1071831357.db2.gz NCPOJRKRQPTXNJ-HXUWFJFHSA-N 1 2 441.598 -0.620 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505594688 1071836065 /nfs/dbraw/zinc/83/60/65/1071836065.db2.gz WYFUAVCPFKZOLX-IBGZPJMESA-N 1 2 425.555 -0.673 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505594689 1071835970 /nfs/dbraw/zinc/83/59/70/1071835970.db2.gz WYFUAVCPFKZOLX-LJQANCHMSA-N 1 2 425.555 -0.673 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000505619807 1071843238 /nfs/dbraw/zinc/84/32/38/1071843238.db2.gz FALHTGBMCZOYOA-UHFFFAOYSA-N 1 2 439.476 -0.452 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cnc2n(C)c1=O ZINC000505626246 1071844890 /nfs/dbraw/zinc/84/48/90/1071844890.db2.gz PYAXNEARUNZLHQ-LJQANCHMSA-N 1 2 434.522 -0.038 20 0 IBADLO CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCOCC1 ZINC000505668960 1071862034 /nfs/dbraw/zinc/86/20/34/1071862034.db2.gz CDDMOJBEOWHTRN-UHFFFAOYSA-N 1 2 443.526 -0.495 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000505674707 1071863248 /nfs/dbraw/zinc/86/32/48/1071863248.db2.gz RWQZCIRHNJQLKX-CYBMUJFWSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000505674710 1071863141 /nfs/dbraw/zinc/86/31/41/1071863141.db2.gz RWQZCIRHNJQLKX-ZDUSSCGKSA-N 1 2 429.499 -0.885 20 0 IBADLO Cn1c2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)c(N3CCCCC3)cc2n(C)c1=O ZINC000505681020 1071865355 /nfs/dbraw/zinc/86/53/55/1071865355.db2.gz YADMQYWESYZWCR-UHFFFAOYSA-N 1 2 444.536 -0.058 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NCC)C3)[nH+]cn2)C1 ZINC000505719728 1071888752 /nfs/dbraw/zinc/88/87/52/1071888752.db2.gz LAJGTAQZSNDKKD-KBPBESRZSA-N 1 2 432.572 -0.487 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NCC)C3)[nH+]cn2)C1 ZINC000505719729 1071888621 /nfs/dbraw/zinc/88/86/21/1071888621.db2.gz LAJGTAQZSNDKKD-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NCC)C3)nc[nH+]2)C1 ZINC000505719729 1071888606 /nfs/dbraw/zinc/88/86/06/1071888606.db2.gz LAJGTAQZSNDKKD-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@@H](S(=O)(=O)NCC)C3)[nH+]cn2)C1 ZINC000505719730 1071889150 /nfs/dbraw/zinc/88/91/50/1071889150.db2.gz LAJGTAQZSNDKKD-ZIAGYGMSSA-N 1 2 432.572 -0.487 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000505807873 1071910772 /nfs/dbraw/zinc/91/07/72/1071910772.db2.gz UFVFPRMELRWUKN-UHFFFAOYSA-N 1 2 440.508 -0.104 20 0 IBADLO C[C@@H](CCC(C)(C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505845435 1071918605 /nfs/dbraw/zinc/91/86/05/1071918605.db2.gz MOANUTCHGZEYIM-INIZCTEOSA-N 1 2 431.603 -0.046 20 0 IBADLO C[C@H](CCC(C)(C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505845436 1071918546 /nfs/dbraw/zinc/91/85/46/1071918546.db2.gz MOANUTCHGZEYIM-MRXNPFEDSA-N 1 2 431.603 -0.046 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000505871251 1071927478 /nfs/dbraw/zinc/92/74/78/1071927478.db2.gz JJJONTGSMNITBK-KRWDZBQOSA-N 1 2 433.509 -0.426 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000505871252 1071927524 /nfs/dbraw/zinc/92/75/24/1071927524.db2.gz JJJONTGSMNITBK-QGZVFWFLSA-N 1 2 433.509 -0.426 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000505878518 1071930024 /nfs/dbraw/zinc/93/00/24/1071930024.db2.gz VUKNOBLTUMJCJE-GOSISDBHSA-N 1 2 447.536 -0.036 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000505878519 1071929874 /nfs/dbraw/zinc/92/98/74/1071929874.db2.gz VUKNOBLTUMJCJE-SFHVURJKSA-N 1 2 447.536 -0.036 20 0 IBADLO COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1O ZINC000505898164 1071934934 /nfs/dbraw/zinc/93/49/34/1071934934.db2.gz GVCJQGBBYNFKGD-UHFFFAOYSA-N 1 2 427.527 -0.280 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000506005529 1071953900 /nfs/dbraw/zinc/95/39/00/1071953900.db2.gz YIJUBGYNCFILQZ-DYESRHJHSA-N 1 2 446.552 -0.231 20 0 IBADLO COc1ccc2c(c1)C[C@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CO2 ZINC000506074155 1071972371 /nfs/dbraw/zinc/97/23/71/1071972371.db2.gz MWMYQIVBLPVDBP-KRWDZBQOSA-N 1 2 438.550 -0.117 20 0 IBADLO COc1ccc2c(c1)C[C@@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CO2 ZINC000506074166 1071972323 /nfs/dbraw/zinc/97/23/23/1071972323.db2.gz MWMYQIVBLPVDBP-QGZVFWFLSA-N 1 2 438.550 -0.117 20 0 IBADLO Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CCC2 ZINC000506077923 1071971828 /nfs/dbraw/zinc/97/18/28/1071971828.db2.gz OBNKOGREPHFBPE-KRWDZBQOSA-N 1 2 439.586 -0.112 20 0 IBADLO Cc1cn2c(n1)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CCC2 ZINC000506077926 1071971658 /nfs/dbraw/zinc/97/16/58/1071971658.db2.gz OBNKOGREPHFBPE-QGZVFWFLSA-N 1 2 439.586 -0.112 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506147211 1071984865 /nfs/dbraw/zinc/98/48/65/1071984865.db2.gz IJQFVLBHIHQRRL-UHFFFAOYSA-N 1 2 439.476 -0.301 20 0 IBADLO O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506148016 1071984572 /nfs/dbraw/zinc/98/45/72/1071984572.db2.gz LKUBCVNIJQCDSY-HNNXBMFYSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506148016 1071984565 /nfs/dbraw/zinc/98/45/65/1071984565.db2.gz LKUBCVNIJQCDSY-HNNXBMFYSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(NCCN1C(=O)CCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506148017 1071984808 /nfs/dbraw/zinc/98/48/08/1071984808.db2.gz LKUBCVNIJQCDSY-OAHLLOKOSA-N 1 2 431.497 -0.270 20 0 IBADLO O=C(NCCN1C(=O)CCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506148017 1071984802 /nfs/dbraw/zinc/98/48/02/1071984802.db2.gz LKUBCVNIJQCDSY-OAHLLOKOSA-N 1 2 431.497 -0.270 20 0 IBADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC(=O)N1C1CC1 ZINC000506202937 1072002838 /nfs/dbraw/zinc/00/28/38/1072002838.db2.gz DSCWBZVOVVRKDZ-VQIMIIECSA-N 1 2 442.520 -0.188 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000506215179 1072008309 /nfs/dbraw/zinc/00/83/09/1072008309.db2.gz NFHVZYSTYJYFGQ-AWEZNQCLSA-N 1 2 434.584 -0.096 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000506215180 1072008208 /nfs/dbraw/zinc/00/82/08/1072008208.db2.gz NFHVZYSTYJYFGQ-CQSZACIVSA-N 1 2 434.584 -0.096 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@@]4(CCCOC4)C3)ccn2)CC1 ZINC000506217679 1072008786 /nfs/dbraw/zinc/00/87/86/1072008786.db2.gz UFMNGJLHDONWAE-NRFANRHFSA-N 1 2 431.493 -0.184 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@]4(CCCOC4)C3)ccn2)CC1 ZINC000506217680 1072008617 /nfs/dbraw/zinc/00/86/17/1072008617.db2.gz UFMNGJLHDONWAE-OAQYLSRUSA-N 1 2 431.493 -0.184 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000506250296 1072012211 /nfs/dbraw/zinc/01/22/11/1072012211.db2.gz PLEQIXKMSFIQBO-UHFFFAOYSA-N 1 2 440.512 -0.020 20 0 IBADLO NC(=O)c1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)on1 ZINC000506391494 1072032979 /nfs/dbraw/zinc/03/29/79/1072032979.db2.gz FWUZOINOQCZCSQ-CYBMUJFWSA-N 1 2 430.469 -0.132 20 0 IBADLO NC(=O)c1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)on1 ZINC000506391494 1072032971 /nfs/dbraw/zinc/03/29/71/1072032971.db2.gz FWUZOINOQCZCSQ-CYBMUJFWSA-N 1 2 430.469 -0.132 20 0 IBADLO NC(=O)c1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)on1 ZINC000506391495 1072032926 /nfs/dbraw/zinc/03/29/26/1072032926.db2.gz FWUZOINOQCZCSQ-ZDUSSCGKSA-N 1 2 430.469 -0.132 20 0 IBADLO NC(=O)c1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)on1 ZINC000506391495 1072032920 /nfs/dbraw/zinc/03/29/20/1072032920.db2.gz FWUZOINOQCZCSQ-ZDUSSCGKSA-N 1 2 430.469 -0.132 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506429468 1072037629 /nfs/dbraw/zinc/03/76/29/1072037629.db2.gz OCZMAJJTNYESAD-GOSISDBHSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506429469 1072037650 /nfs/dbraw/zinc/03/76/50/1072037650.db2.gz OCZMAJJTNYESAD-SFHVURJKSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)c2)CC1 ZINC000506432186 1072038381 /nfs/dbraw/zinc/03/83/81/1072038381.db2.gz BGZKCIIQDLHMTA-GOSISDBHSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)c2)CC1 ZINC000506432188 1072038255 /nfs/dbraw/zinc/03/82/55/1072038255.db2.gz BGZKCIIQDLHMTA-SFHVURJKSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000506486821 1072054276 /nfs/dbraw/zinc/05/42/76/1072054276.db2.gz GPMNMUQBLLYMEO-KRWDZBQOSA-N 1 2 436.534 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000506486822 1072054148 /nfs/dbraw/zinc/05/41/48/1072054148.db2.gz GPMNMUQBLLYMEO-QGZVFWFLSA-N 1 2 436.534 -0.065 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000506496972 1072058523 /nfs/dbraw/zinc/05/85/23/1072058523.db2.gz WEOJVRQPNFWHJC-UHFFFAOYSA-N 1 2 430.494 -0.225 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000506556049 1072075073 /nfs/dbraw/zinc/07/50/73/1072075073.db2.gz JNGBCSPQUHNTNI-KRWDZBQOSA-N 1 2 442.582 -0.416 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000506556071 1072074782 /nfs/dbraw/zinc/07/47/82/1072074782.db2.gz JNGBCSPQUHNTNI-QGZVFWFLSA-N 1 2 442.582 -0.416 20 0 IBADLO COC(=O)Cn1cc(CC[NH+]2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 ZINC000506615362 1072086119 /nfs/dbraw/zinc/08/61/19/1072086119.db2.gz NOIDYLIMGMXCMD-GOSISDBHSA-N 1 2 444.540 -0.151 20 0 IBADLO COC(=O)Cn1cc(CC[NH+]2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 ZINC000506615367 1072086050 /nfs/dbraw/zinc/08/60/50/1072086050.db2.gz NOIDYLIMGMXCMD-SFHVURJKSA-N 1 2 444.540 -0.151 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000506648470 1072091636 /nfs/dbraw/zinc/09/16/36/1072091636.db2.gz VYMXFPVMDVJCDK-INIZCTEOSA-N 1 2 431.493 -0.718 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000506648471 1072091896 /nfs/dbraw/zinc/09/18/96/1072091896.db2.gz VYMXFPVMDVJCDK-MRXNPFEDSA-N 1 2 431.493 -0.718 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000506685262 1072099829 /nfs/dbraw/zinc/09/98/29/1072099829.db2.gz CRHJEHVHMVSDJS-AEFFLSMTSA-N 1 2 430.505 -0.077 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000506685263 1072099668 /nfs/dbraw/zinc/09/96/68/1072099668.db2.gz CRHJEHVHMVSDJS-FUHWJXTLSA-N 1 2 430.505 -0.077 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000506685264 1072099861 /nfs/dbraw/zinc/09/98/61/1072099861.db2.gz CRHJEHVHMVSDJS-SJLPKXTDSA-N 1 2 430.505 -0.077 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000506685265 1072099789 /nfs/dbraw/zinc/09/97/89/1072099789.db2.gz CRHJEHVHMVSDJS-WMZOPIPTSA-N 1 2 430.505 -0.077 20 0 IBADLO O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CC[NH+](CCO)CC1 ZINC000506718258 1072107454 /nfs/dbraw/zinc/10/74/54/1072107454.db2.gz IBECFTPOCOUICK-UHFFFAOYSA-N 1 2 439.534 -0.005 20 0 IBADLO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000506718477 1072107517 /nfs/dbraw/zinc/10/75/17/1072107517.db2.gz MQUNZJAUAGFGLP-INIZCTEOSA-N 1 2 442.542 -0.964 20 0 IBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000506718478 1072107483 /nfs/dbraw/zinc/10/74/83/1072107483.db2.gz MQUNZJAUAGFGLP-MRXNPFEDSA-N 1 2 442.542 -0.964 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000506738291 1072114394 /nfs/dbraw/zinc/11/43/94/1072114394.db2.gz MVQLFKBQYPQAGU-GDBMZVCRSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000506738292 1072114357 /nfs/dbraw/zinc/11/43/57/1072114357.db2.gz MVQLFKBQYPQAGU-GOEBONIOSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000506738293 1072114451 /nfs/dbraw/zinc/11/44/51/1072114451.db2.gz MVQLFKBQYPQAGU-HOCLYGCPSA-N 1 2 439.538 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000506738294 1072114300 /nfs/dbraw/zinc/11/43/00/1072114300.db2.gz MVQLFKBQYPQAGU-ZBFHGGJFSA-N 1 2 439.538 -0.001 20 0 IBADLO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000506738592 1074350165 /nfs/dbraw/zinc/35/01/65/1074350165.db2.gz SQQJOQFAARHTKH-HNNXBMFYSA-N 1 2 442.542 -0.964 20 0 IBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000506738593 1074350223 /nfs/dbraw/zinc/35/02/23/1074350223.db2.gz SQQJOQFAARHTKH-OAHLLOKOSA-N 1 2 442.542 -0.964 20 0 IBADLO NS(=O)(=O)c1cnc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000506841093 1073318693 /nfs/dbraw/zinc/31/86/93/1073318693.db2.gz XAWSAQXXEBOANX-UHFFFAOYSA-N 1 2 432.553 -0.251 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000506949723 1072175410 /nfs/dbraw/zinc/17/54/10/1072175410.db2.gz JUHIPYFBJZIWSB-UHFFFAOYSA-N 1 2 439.538 -0.047 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000507009877 1072178817 /nfs/dbraw/zinc/17/88/17/1072178817.db2.gz ZELHIGZRYOJFMC-INIZCTEOSA-N 1 2 439.600 -0.053 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000507009878 1072178737 /nfs/dbraw/zinc/17/87/37/1072178737.db2.gz ZELHIGZRYOJFMC-MRXNPFEDSA-N 1 2 439.600 -0.053 20 0 IBADLO Cn1c(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000507099155 1074350591 /nfs/dbraw/zinc/35/05/91/1074350591.db2.gz ZTXBBRGQQICGAG-UHFFFAOYSA-N 1 2 448.509 -0.669 20 0 IBADLO CCN(CCOCCO)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507101825 1072513427 /nfs/dbraw/zinc/51/34/27/1072513427.db2.gz JCWYSURYGZZWPJ-UHFFFAOYSA-N 1 2 429.543 -0.426 20 0 IBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCF ZINC000507101941 1072186188 /nfs/dbraw/zinc/18/61/88/1072186188.db2.gz KNAPCOFZTYQICX-AWEZNQCLSA-N 1 2 430.506 -0.693 20 0 IBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCF ZINC000507101947 1072186221 /nfs/dbraw/zinc/18/62/21/1072186221.db2.gz KNAPCOFZTYQICX-CQSZACIVSA-N 1 2 430.506 -0.693 20 0 IBADLO CS(=O)(=O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000507103102 1072186152 /nfs/dbraw/zinc/18/61/52/1072186152.db2.gz MSFFNJIKEZRPSQ-HNNXBMFYSA-N 1 2 445.567 -0.638 20 0 IBADLO CS(=O)(=O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000507103103 1072186202 /nfs/dbraw/zinc/18/62/02/1072186202.db2.gz MSFFNJIKEZRPSQ-OAHLLOKOSA-N 1 2 445.567 -0.638 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C2CC2)C(=O)C1 ZINC000507104211 1072186237 /nfs/dbraw/zinc/18/62/37/1072186237.db2.gz PHZXGCVQQGGDSD-UHFFFAOYSA-N 1 2 436.538 -0.450 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(OCCO)CCOCC1 ZINC000507280953 1072196191 /nfs/dbraw/zinc/19/61/91/1072196191.db2.gz DWQFIZHTDRMYDK-UHFFFAOYSA-N 1 2 435.525 -0.022 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)ccn2)CC1 ZINC000507311449 1072196744 /nfs/dbraw/zinc/19/67/44/1072196744.db2.gz GGLBLWPNFQQKEQ-MSOLQXFVSA-N 1 2 431.493 -0.186 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCOC[C@@H]3[C@H]3CCCO3)ccn2)CC1 ZINC000507311451 1072196792 /nfs/dbraw/zinc/19/67/92/1072196792.db2.gz GGLBLWPNFQQKEQ-QZTJIDSGSA-N 1 2 431.493 -0.186 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCOC[C@H]3[C@@H]3CCCO3)ccn2)CC1 ZINC000507311453 1072196710 /nfs/dbraw/zinc/19/67/10/1072196710.db2.gz GGLBLWPNFQQKEQ-ROUUACIJSA-N 1 2 431.493 -0.186 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCOC[C@H]3[C@H]3CCCO3)ccn2)CC1 ZINC000507311454 1072196827 /nfs/dbraw/zinc/19/68/27/1072196827.db2.gz GGLBLWPNFQQKEQ-ZWKOTPCHSA-N 1 2 431.493 -0.186 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000507324588 1072197242 /nfs/dbraw/zinc/19/72/42/1072197242.db2.gz JRRTYYCLONQPQF-KRWDZBQOSA-N 1 2 447.540 -0.050 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000507324597 1072197371 /nfs/dbraw/zinc/19/73/71/1072197371.db2.gz JRRTYYCLONQPQF-QGZVFWFLSA-N 1 2 447.540 -0.050 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000507333436 1072196814 /nfs/dbraw/zinc/19/68/14/1072196814.db2.gz UKYFTAPQZZTQHN-KRWDZBQOSA-N 1 2 447.540 -0.050 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000507333437 1072197326 /nfs/dbraw/zinc/19/73/26/1072197326.db2.gz UKYFTAPQZZTQHN-QGZVFWFLSA-N 1 2 447.540 -0.050 20 0 IBADLO Cc1cc(N2CCN(C(=O)CS(=O)(=O)c3nnc(CO)n3C)CC2)nc(C(C)C)[nH+]1 ZINC000507403965 1072203581 /nfs/dbraw/zinc/20/35/81/1072203581.db2.gz OOVKREYODHTHIW-UHFFFAOYSA-N 1 2 437.526 -0.348 20 0 IBADLO COc1ccc(C[NH+](Cc2cc(=O)n(C)c(=O)n2C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000507410229 1072202574 /nfs/dbraw/zinc/20/25/74/1072202574.db2.gz WRRQXQLAZVSIKF-UHFFFAOYSA-N 1 2 441.488 -0.308 20 0 IBADLO Cn1c(=O)cc(C[NH+](Cc2ccc(F)cc2)Cc2cc(=O)n(C)c(=O)n2C)n(C)c1=O ZINC000507420188 1072203216 /nfs/dbraw/zinc/20/32/16/1072203216.db2.gz LAMXYSFGHAJWDB-UHFFFAOYSA-N 1 2 429.452 -0.177 20 0 IBADLO Cn1c(=O)cc(C[NH+](Cc2cccc(F)c2)Cc2cc(=O)n(C)c(=O)n2C)n(C)c1=O ZINC000507422432 1072204123 /nfs/dbraw/zinc/20/41/23/1072204123.db2.gz BHCJNFDNHSDUSJ-UHFFFAOYSA-N 1 2 429.452 -0.177 20 0 IBADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000507446089 1074351044 /nfs/dbraw/zinc/35/10/44/1074351044.db2.gz DCEZOOKHPKKSIY-INIZCTEOSA-N 1 2 436.513 -0.750 20 0 IBADLO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000507446094 1074351094 /nfs/dbraw/zinc/35/10/94/1074351094.db2.gz DCEZOOKHPKKSIY-MRXNPFEDSA-N 1 2 436.513 -0.750 20 0 IBADLO COc1cccc(C[NH+](Cc2cc(=O)n(C)c(=O)n2C)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000507446514 1072205968 /nfs/dbraw/zinc/20/59/68/1072205968.db2.gz ZEOAJNGJYHBLBQ-UHFFFAOYSA-N 1 2 441.488 -0.308 20 0 IBADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000507453391 1072206449 /nfs/dbraw/zinc/20/64/49/1072206449.db2.gz ZUOFBPZUNWACSI-KRWDZBQOSA-N 1 2 436.513 -0.750 20 0 IBADLO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000507453393 1072206682 /nfs/dbraw/zinc/20/66/82/1072206682.db2.gz ZUOFBPZUNWACSI-QGZVFWFLSA-N 1 2 436.513 -0.750 20 0 IBADLO COc1ccc(CCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507455471 1072207211 /nfs/dbraw/zinc/20/72/11/1072207211.db2.gz MHXDFHDVULINFD-HNNXBMFYSA-N 1 2 430.527 -0.780 20 0 IBADLO COc1ccc(CCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507455472 1072207075 /nfs/dbraw/zinc/20/70/75/1072207075.db2.gz MHXDFHDVULINFD-OAHLLOKOSA-N 1 2 430.527 -0.780 20 0 IBADLO Cn1cncc1[C@H]1[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCC(=O)N1C1CC1 ZINC000507463502 1072207770 /nfs/dbraw/zinc/20/77/70/1072207770.db2.gz UDLKMRLJUHIHHZ-BSIFCXSSSA-N 1 2 434.541 -0.003 20 0 IBADLO Cn1cncc1[C@H]1[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCC(=O)N1C1CC1 ZINC000507463503 1072207526 /nfs/dbraw/zinc/20/75/26/1072207526.db2.gz UDLKMRLJUHIHHZ-OZOXKJRCSA-N 1 2 434.541 -0.003 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000507474444 1072207729 /nfs/dbraw/zinc/20/77/29/1072207729.db2.gz YKSBQVPWAMIUTF-UHFFFAOYSA-N 1 2 430.552 -0.384 20 0 IBADLO Cc1nc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000507538715 1072211506 /nfs/dbraw/zinc/21/15/06/1072211506.db2.gz ZQRBSFARTPVRTM-UHFFFAOYSA-N 1 2 444.583 -0.987 20 0 IBADLO Cc1nc(C)c(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000507591177 1072215006 /nfs/dbraw/zinc/21/50/06/1072215006.db2.gz UGVHHDXODHRICW-UHFFFAOYSA-N 1 2 444.583 -0.987 20 0 IBADLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000507734927 1072257067 /nfs/dbraw/zinc/25/70/67/1072257067.db2.gz YVGZBXUGHVVVCL-HNNXBMFYSA-N 1 2 431.541 -0.501 20 0 IBADLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000507734931 1072257071 /nfs/dbraw/zinc/25/70/71/1072257071.db2.gz YVGZBXUGHVVVCL-OAHLLOKOSA-N 1 2 431.541 -0.501 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)NC(=O)NCc1ccccc1 ZINC000507740455 1072273924 /nfs/dbraw/zinc/27/39/24/1072273924.db2.gz HOBIRJLBXWKKIB-UHFFFAOYSA-N 1 2 439.538 -0.403 20 0 IBADLO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000507741503 1072274010 /nfs/dbraw/zinc/27/40/10/1072274010.db2.gz FYOPIMICIACFSN-AEFFLSMTSA-N 1 2 444.536 -0.271 20 0 IBADLO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000507741504 1072274447 /nfs/dbraw/zinc/27/44/47/1072274447.db2.gz FYOPIMICIACFSN-FUHWJXTLSA-N 1 2 444.536 -0.271 20 0 IBADLO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000507741506 1072274578 /nfs/dbraw/zinc/27/45/78/1072274578.db2.gz FYOPIMICIACFSN-SJLPKXTDSA-N 1 2 444.536 -0.271 20 0 IBADLO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000507741507 1072274398 /nfs/dbraw/zinc/27/43/98/1072274398.db2.gz FYOPIMICIACFSN-WMZOPIPTSA-N 1 2 444.536 -0.271 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CCC(=O)N1C1CC1 ZINC000507828284 1072324637 /nfs/dbraw/zinc/32/46/37/1072324637.db2.gz VBMIHOPXZISTET-JXXFODFXSA-N 1 2 447.540 -0.558 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CCC(=O)N1C1CC1 ZINC000507828284 1072324627 /nfs/dbraw/zinc/32/46/27/1072324627.db2.gz VBMIHOPXZISTET-JXXFODFXSA-N 1 2 447.540 -0.558 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CCC(=O)N1C1CC1 ZINC000507828290 1072324490 /nfs/dbraw/zinc/32/44/90/1072324490.db2.gz VBMIHOPXZISTET-RZQQEMMASA-N 1 2 447.540 -0.558 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CCC(=O)N1C1CC1 ZINC000507828290 1072324485 /nfs/dbraw/zinc/32/44/85/1072324485.db2.gz VBMIHOPXZISTET-RZQQEMMASA-N 1 2 447.540 -0.558 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000507869187 1072328760 /nfs/dbraw/zinc/32/87/60/1072328760.db2.gz UWUGHIGIFWRXKS-MBOZVWFJSA-N 1 2 434.541 -0.051 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000507869188 1072328738 /nfs/dbraw/zinc/32/87/38/1072328738.db2.gz UWUGHIGIFWRXKS-SQGPQFPESA-N 1 2 434.541 -0.051 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(=O)[nH]c1=O ZINC000507893350 1072332104 /nfs/dbraw/zinc/33/21/04/1072332104.db2.gz MHTRLXDFLXYNDR-LLVKDONJSA-N 1 2 439.494 -0.299 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(=O)[nH]c1=O ZINC000507893350 1072332090 /nfs/dbraw/zinc/33/20/90/1072332090.db2.gz MHTRLXDFLXYNDR-LLVKDONJSA-N 1 2 439.494 -0.299 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(=O)[nH]c1=O ZINC000507893358 1072332159 /nfs/dbraw/zinc/33/21/59/1072332159.db2.gz MHTRLXDFLXYNDR-NSHDSACASA-N 1 2 439.494 -0.299 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(=O)[nH]c1=O ZINC000507893358 1072332149 /nfs/dbraw/zinc/33/21/49/1072332149.db2.gz MHTRLXDFLXYNDR-NSHDSACASA-N 1 2 439.494 -0.299 20 0 IBADLO CCc1ccccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000507936093 1072334937 /nfs/dbraw/zinc/33/49/37/1072334937.db2.gz FCXTTXNYODUSPN-UHFFFAOYSA-N 1 2 437.566 -0.498 20 0 IBADLO COCc1nc([C@@H]2COCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000507993038 1072341588 /nfs/dbraw/zinc/34/15/88/1072341588.db2.gz NDVROPKUTCESIX-HNNXBMFYSA-N 1 2 432.485 -0.089 20 0 IBADLO COCc1nc([C@H]2COCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000507993044 1072341432 /nfs/dbraw/zinc/34/14/32/1072341432.db2.gz NDVROPKUTCESIX-OAHLLOKOSA-N 1 2 432.485 -0.089 20 0 IBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508036025 1072343939 /nfs/dbraw/zinc/34/39/39/1072343939.db2.gz DJYMRGXSBDQHRA-INIZCTEOSA-N 1 2 439.538 -0.018 20 0 IBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508036026 1072344149 /nfs/dbraw/zinc/34/41/49/1072344149.db2.gz DJYMRGXSBDQHRA-MRXNPFEDSA-N 1 2 439.538 -0.018 20 0 IBADLO Cc1cc(C)n2nc(NC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc2n1 ZINC000508063386 1074354155 /nfs/dbraw/zinc/35/41/55/1074354155.db2.gz RRGWDEPTLGGZER-UHFFFAOYSA-N 1 2 437.530 -0.617 20 0 IBADLO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000508086825 1072347574 /nfs/dbraw/zinc/34/75/74/1072347574.db2.gz IBONPPTVPOPEQG-DLBZAZTESA-N 1 2 441.550 -0.575 20 0 IBADLO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000508086826 1072347519 /nfs/dbraw/zinc/34/75/19/1072347519.db2.gz IBONPPTVPOPEQG-IAGOWNOFSA-N 1 2 441.550 -0.575 20 0 IBADLO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000508086827 1072347645 /nfs/dbraw/zinc/34/76/45/1072347645.db2.gz IBONPPTVPOPEQG-IRXDYDNUSA-N 1 2 441.550 -0.575 20 0 IBADLO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000508086828 1072347693 /nfs/dbraw/zinc/34/76/93/1072347693.db2.gz IBONPPTVPOPEQG-SJORKVTESA-N 1 2 441.550 -0.575 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000508101804 1072349182 /nfs/dbraw/zinc/34/91/82/1072349182.db2.gz OAJBCDCLWBFOHS-DLBZAZTESA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000508101809 1072349397 /nfs/dbraw/zinc/34/93/97/1072349397.db2.gz OAJBCDCLWBFOHS-IAGOWNOFSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000508101812 1072349160 /nfs/dbraw/zinc/34/91/60/1072349160.db2.gz OAJBCDCLWBFOHS-IRXDYDNUSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000508101814 1072349302 /nfs/dbraw/zinc/34/93/02/1072349302.db2.gz OAJBCDCLWBFOHS-SJORKVTESA-N 1 2 438.912 -0.287 20 0 IBADLO Cc1noc2ncc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc12 ZINC000508105003 1072349361 /nfs/dbraw/zinc/34/93/61/1072349361.db2.gz SKHHNUGUNREOGV-UHFFFAOYSA-N 1 2 444.539 -0.670 20 0 IBADLO CCNC(=O)CN(CC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508133789 1072349809 /nfs/dbraw/zinc/34/98/09/1072349809.db2.gz SRPXOZOWQJDFMF-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000508143646 1072351347 /nfs/dbraw/zinc/35/13/47/1072351347.db2.gz BEEDRXQRUHVNBH-KRWDZBQOSA-N 1 2 430.557 -0.407 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000508143647 1072351184 /nfs/dbraw/zinc/35/11/84/1072351184.db2.gz BEEDRXQRUHVNBH-QGZVFWFLSA-N 1 2 430.557 -0.407 20 0 IBADLO O=C(NCCn1cc(Br)cn1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508228622 1072356459 /nfs/dbraw/zinc/35/64/59/1072356459.db2.gz DBURKUVWORIBMQ-UHFFFAOYSA-N 1 2 440.302 -0.071 20 0 IBADLO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508229659 1072355115 /nfs/dbraw/zinc/35/51/15/1072355115.db2.gz NBJSHEWSGXOYJI-INIZCTEOSA-N 1 2 442.542 -0.916 20 0 IBADLO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508229662 1072355151 /nfs/dbraw/zinc/35/51/51/1072355151.db2.gz NBJSHEWSGXOYJI-MRXNPFEDSA-N 1 2 442.542 -0.916 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000508239042 1072357577 /nfs/dbraw/zinc/35/75/77/1072357577.db2.gz YPOMOGLRHQMNTO-UHFFFAOYSA-N 1 2 435.547 -0.652 20 0 IBADLO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000508243889 1074354067 /nfs/dbraw/zinc/35/40/67/1074354067.db2.gz TYZJEBHSJBXZOB-HNNXBMFYSA-N 1 2 442.542 -0.916 20 0 IBADLO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000508243890 1074354745 /nfs/dbraw/zinc/35/47/45/1074354745.db2.gz TYZJEBHSJBXZOB-OAHLLOKOSA-N 1 2 442.542 -0.916 20 0 IBADLO O=C(NCCn1cc(Br)cn1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000508244093 1072356481 /nfs/dbraw/zinc/35/64/81/1072356481.db2.gz UWFQOFZYDLCTAL-UHFFFAOYSA-N 1 2 440.302 -0.071 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000508344358 1072362780 /nfs/dbraw/zinc/36/27/80/1072362780.db2.gz UBICIWINPSEUQA-PKOBYXMFSA-N 1 2 448.545 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2)CC1 ZINC000508357164 1072363287 /nfs/dbraw/zinc/36/32/87/1072363287.db2.gz IQFJKHJZGPUBPV-PKOBYXMFSA-N 1 2 448.545 -0.065 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)cc2)CC1 ZINC000508365741 1072363026 /nfs/dbraw/zinc/36/30/26/1072363026.db2.gz CTPJGOSPMZJQGW-PKOBYXMFSA-N 1 2 448.545 -0.065 20 0 IBADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508504107 1072651040 /nfs/dbraw/zinc/65/10/40/1072651040.db2.gz LMACKVRCLKODNY-MOPGFXCFSA-N 1 2 449.596 -0.241 20 0 IBADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508504108 1072651030 /nfs/dbraw/zinc/65/10/30/1072651030.db2.gz LMACKVRCLKODNY-OALUTQOASA-N 1 2 449.596 -0.241 20 0 IBADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508504109 1072651112 /nfs/dbraw/zinc/65/11/12/1072651112.db2.gz LMACKVRCLKODNY-RBUKOAKNSA-N 1 2 449.596 -0.241 20 0 IBADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508504110 1072650928 /nfs/dbraw/zinc/65/09/28/1072650928.db2.gz LMACKVRCLKODNY-RTBURBONSA-N 1 2 449.596 -0.241 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nnc(CNC(=O)c3ccco3)n2C)CC1 ZINC000508531671 1072696064 /nfs/dbraw/zinc/69/60/64/1072696064.db2.gz JRZKYCYMNXIKKI-HNNXBMFYSA-N 1 2 431.497 -0.293 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nnc(CNC(=O)c3ccco3)n2C)CC1 ZINC000508531674 1072696106 /nfs/dbraw/zinc/69/61/06/1072696106.db2.gz JRZKYCYMNXIKKI-OAHLLOKOSA-N 1 2 431.497 -0.293 20 0 IBADLO COCc1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(N)n1 ZINC000508537214 1073357759 /nfs/dbraw/zinc/35/77/59/1073357759.db2.gz GYSPFUHAIAWKDD-AWEZNQCLSA-N 1 2 442.524 -0.218 20 0 IBADLO COCc1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(N)n1 ZINC000508537215 1073357745 /nfs/dbraw/zinc/35/77/45/1073357745.db2.gz GYSPFUHAIAWKDD-CQSZACIVSA-N 1 2 442.524 -0.218 20 0 IBADLO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000508612036 1074354676 /nfs/dbraw/zinc/35/46/76/1074354676.db2.gz DMULKUXJSVTKHT-AWEZNQCLSA-N 1 2 448.446 -0.467 20 0 IBADLO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000508612039 1074354697 /nfs/dbraw/zinc/35/46/97/1074354697.db2.gz DMULKUXJSVTKHT-CQSZACIVSA-N 1 2 448.446 -0.467 20 0 IBADLO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508622007 1072861662 /nfs/dbraw/zinc/86/16/62/1072861662.db2.gz NZXKGHNWYIZECG-HNNXBMFYSA-N 1 2 448.446 -0.467 20 0 IBADLO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508622008 1072861444 /nfs/dbraw/zinc/86/14/44/1072861444.db2.gz NZXKGHNWYIZECG-OAHLLOKOSA-N 1 2 448.446 -0.467 20 0 IBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000508662544 1072877650 /nfs/dbraw/zinc/87/76/50/1072877650.db2.gz CWVNAQDWZOTQSW-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000508662544 1072877639 /nfs/dbraw/zinc/87/76/39/1072877639.db2.gz CWVNAQDWZOTQSW-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000508662548 1072877858 /nfs/dbraw/zinc/87/78/58/1072877858.db2.gz CWVNAQDWZOTQSW-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000508662548 1072877839 /nfs/dbraw/zinc/87/78/39/1072877839.db2.gz CWVNAQDWZOTQSW-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000508671305 1072953374 /nfs/dbraw/zinc/95/33/74/1072953374.db2.gz LHSGNMABEZIHRS-INIZCTEOSA-N 1 2 439.538 -0.133 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000508671305 1072953371 /nfs/dbraw/zinc/95/33/71/1072953371.db2.gz LHSGNMABEZIHRS-INIZCTEOSA-N 1 2 439.538 -0.133 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000508671306 1072953328 /nfs/dbraw/zinc/95/33/28/1072953328.db2.gz LHSGNMABEZIHRS-MRXNPFEDSA-N 1 2 439.538 -0.133 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000508671306 1072953317 /nfs/dbraw/zinc/95/33/17/1072953317.db2.gz LHSGNMABEZIHRS-MRXNPFEDSA-N 1 2 439.538 -0.133 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000508680264 1072958571 /nfs/dbraw/zinc/95/85/71/1072958571.db2.gz RYLXCHYSRAFELV-UHFFFAOYSA-N 1 2 432.403 -0.613 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508684506 1072958956 /nfs/dbraw/zinc/95/89/56/1072958956.db2.gz XXQXKWKIHIIZLE-DZGCQCFKSA-N 1 2 436.542 -0.087 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508684507 1072959118 /nfs/dbraw/zinc/95/91/18/1072959118.db2.gz XXQXKWKIHIIZLE-HIFRSBDPSA-N 1 2 436.542 -0.087 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508684508 1072959068 /nfs/dbraw/zinc/95/90/68/1072959068.db2.gz XXQXKWKIHIIZLE-UKRRQHHQSA-N 1 2 436.542 -0.087 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508684509 1072959134 /nfs/dbraw/zinc/95/91/34/1072959134.db2.gz XXQXKWKIHIIZLE-ZFWWWQNUSA-N 1 2 436.542 -0.087 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000508692405 1074354582 /nfs/dbraw/zinc/35/45/82/1074354582.db2.gz WBNNHYRMWZJRHR-UHFFFAOYSA-N 1 2 432.403 -0.613 20 0 IBADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000508705811 1072960116 /nfs/dbraw/zinc/96/01/16/1072960116.db2.gz GKRCCBYIDJCJQN-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000508705811 1072960106 /nfs/dbraw/zinc/96/01/06/1072960106.db2.gz GKRCCBYIDJCJQN-GOSISDBHSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000508705812 1072960009 /nfs/dbraw/zinc/96/00/09/1072960009.db2.gz GKRCCBYIDJCJQN-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000508705812 1072960000 /nfs/dbraw/zinc/96/00/00/1072960000.db2.gz GKRCCBYIDJCJQN-SFHVURJKSA-N 1 2 436.534 -0.068 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000508714336 1072960599 /nfs/dbraw/zinc/96/05/99/1072960599.db2.gz GZVXKHHLVMQDLX-GOSISDBHSA-N 1 2 438.500 -0.570 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000508714344 1072960543 /nfs/dbraw/zinc/96/05/43/1072960543.db2.gz GZVXKHHLVMQDLX-SFHVURJKSA-N 1 2 438.500 -0.570 20 0 IBADLO O=C(NCc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508737160 1072962144 /nfs/dbraw/zinc/96/21/44/1072962144.db2.gz LEJZSLWEKGUWRM-KRWDZBQOSA-N 1 2 439.534 -0.751 20 0 IBADLO O=C(NCc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508737161 1072962004 /nfs/dbraw/zinc/96/20/04/1072962004.db2.gz LEJZSLWEKGUWRM-QGZVFWFLSA-N 1 2 439.534 -0.751 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccn2c(=O)[nH]nc12 ZINC000508776873 1072965089 /nfs/dbraw/zinc/96/50/89/1072965089.db2.gz FLOPVPKHGTWRRD-UHFFFAOYSA-N 1 2 431.478 -0.288 20 0 IBADLO Cc1cnn(C)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508841511 1072430776 /nfs/dbraw/zinc/43/07/76/1072430776.db2.gz JMXUOUHUOQTAAH-UHFFFAOYSA-N 1 2 428.540 -0.446 20 0 IBADLO CC(C)C[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000508855112 1072461600 /nfs/dbraw/zinc/46/16/00/1072461600.db2.gz UJQWBMIRRILNLF-DLBZAZTESA-N 1 2 429.587 -0.436 20 0 IBADLO CC(C)C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000508855116 1072461736 /nfs/dbraw/zinc/46/17/36/1072461736.db2.gz UJQWBMIRRILNLF-IAGOWNOFSA-N 1 2 429.587 -0.436 20 0 IBADLO CC(C)C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000508855118 1072461749 /nfs/dbraw/zinc/46/17/49/1072461749.db2.gz UJQWBMIRRILNLF-IRXDYDNUSA-N 1 2 429.587 -0.436 20 0 IBADLO CC(C)C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000508855119 1072461624 /nfs/dbraw/zinc/46/16/24/1072461624.db2.gz UJQWBMIRRILNLF-SJORKVTESA-N 1 2 429.587 -0.436 20 0 IBADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 ZINC000509127774 1073242897 /nfs/dbraw/zinc/24/28/97/1073242897.db2.gz QGTLUXHHPHEHIN-JXFKEZNVSA-N 1 2 438.550 -0.219 20 0 IBADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 ZINC000509127777 1073242845 /nfs/dbraw/zinc/24/28/45/1073242845.db2.gz QGTLUXHHPHEHIN-OXJNMPFZSA-N 1 2 438.550 -0.219 20 0 IBADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 ZINC000509127780 1073242869 /nfs/dbraw/zinc/24/28/69/1073242869.db2.gz QGTLUXHHPHEHIN-OXQOHEQNSA-N 1 2 438.550 -0.219 20 0 IBADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 ZINC000509127782 1073242961 /nfs/dbraw/zinc/24/29/61/1073242961.db2.gz QGTLUXHHPHEHIN-UZLBHIALSA-N 1 2 438.550 -0.219 20 0 IBADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccn1 ZINC000509140716 1072542559 /nfs/dbraw/zinc/54/25/59/1072542559.db2.gz QCZDOTHVGZIMRJ-JOCHJYFZSA-N 1 2 447.536 -0.548 20 0 IBADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccn1 ZINC000509140721 1073243841 /nfs/dbraw/zinc/24/38/41/1073243841.db2.gz QCZDOTHVGZIMRJ-QFIPXVFZSA-N 1 2 447.536 -0.548 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)o1 ZINC000509148732 1073245198 /nfs/dbraw/zinc/24/51/98/1073245198.db2.gz AWIFXLVMHMQKRA-UHFFFAOYSA-N 1 2 443.522 -0.007 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](CCO)CC2)o1 ZINC000509149248 1073245360 /nfs/dbraw/zinc/24/53/60/1073245360.db2.gz BZGVBOYNHHOWOF-AWEZNQCLSA-N 1 2 429.495 -0.254 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](CCO)CC2)o1 ZINC000509149253 1073245230 /nfs/dbraw/zinc/24/52/30/1073245230.db2.gz BZGVBOYNHHOWOF-CQSZACIVSA-N 1 2 429.495 -0.254 20 0 IBADLO Cc1cc(C)nc(SCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000509227262 1073268557 /nfs/dbraw/zinc/26/85/57/1073268557.db2.gz ZZRWPMZLGNMBLI-UHFFFAOYSA-N 1 2 428.584 -0.178 20 0 IBADLO Cc1nc(C)c(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000509243473 1073278596 /nfs/dbraw/zinc/27/85/96/1073278596.db2.gz PBGOQENVSGSLQA-UHFFFAOYSA-N 1 2 426.543 -0.632 20 0 IBADLO Cc1nc2sccn2c(=O)c1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509265235 1073310366 /nfs/dbraw/zinc/31/03/66/1073310366.db2.gz UTXOQODTLYFTQK-UHFFFAOYSA-N 1 2 440.595 -0.283 20 0 IBADLO Cc1nn(C)c(N2CCOCC2)c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509360878 1073338443 /nfs/dbraw/zinc/33/84/43/1073338443.db2.gz XEDXJTZAUYXBSR-UHFFFAOYSA-N 1 2 441.602 -0.825 20 0 IBADLO COC(=O)CCn1nc(C)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000509384212 1073343734 /nfs/dbraw/zinc/34/37/34/1073343734.db2.gz GOLBZYMFGVOGPB-UHFFFAOYSA-N 1 2 442.586 -0.327 20 0 IBADLO COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C(=O)OC)C1 ZINC000509384236 1073343770 /nfs/dbraw/zinc/34/37/70/1073343770.db2.gz QSASWXVYZITHPO-BZUAXINKSA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C(=O)OC)C1 ZINC000509384239 1073343659 /nfs/dbraw/zinc/34/36/59/1073343659.db2.gz QSASWXVYZITHPO-OAGGEKHMSA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C(=O)OC)C1 ZINC000509384242 1073343892 /nfs/dbraw/zinc/34/38/92/1073343892.db2.gz QSASWXVYZITHPO-OWCLPIDISA-N 1 2 425.482 -0.880 20 0 IBADLO COC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C(=O)OC)C1 ZINC000509384244 1073343952 /nfs/dbraw/zinc/34/39/52/1073343952.db2.gz QSASWXVYZITHPO-PMPSAXMXSA-N 1 2 425.482 -0.880 20 0 IBADLO COCCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000509461453 1074408588 /nfs/dbraw/zinc/40/85/88/1074408588.db2.gz DKAZLIBPGWITIF-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO CNC(=O)CCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000509749756 1071511478 /nfs/dbraw/zinc/51/14/78/1071511478.db2.gz FPJZQTCVXXFCNY-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000509769152 1071550146 /nfs/dbraw/zinc/55/01/46/1071550146.db2.gz BKDFGPUWPNZFBH-OAHLLOKOSA-N 1 2 442.542 -0.964 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000509777026 1074354645 /nfs/dbraw/zinc/35/46/45/1074354645.db2.gz WZWLPHGHUHFFBH-OAHLLOKOSA-N 1 2 442.542 -0.964 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)S1(=O)=O ZINC000509788153 1071564262 /nfs/dbraw/zinc/56/42/62/1071564262.db2.gz IMGBHNYXXJLCNL-GDBMZVCRSA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)S1(=O)=O ZINC000509788158 1071564799 /nfs/dbraw/zinc/56/47/99/1071564799.db2.gz IMGBHNYXXJLCNL-GOEBONIOSA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)S1(=O)=O ZINC000509788160 1071564682 /nfs/dbraw/zinc/56/46/82/1071564682.db2.gz IMGBHNYXXJLCNL-HOCLYGCPSA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)S1(=O)=O ZINC000509788162 1071564776 /nfs/dbraw/zinc/56/47/76/1071564776.db2.gz IMGBHNYXXJLCNL-ZBFHGGJFSA-N 1 2 427.527 -0.422 20 0 IBADLO COc1ccccc1N1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000509800294 1071570393 /nfs/dbraw/zinc/57/03/93/1071570393.db2.gz YAFXAOMVYHHSCA-UHFFFAOYSA-N 1 2 445.564 -0.180 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)S1(=O)=O ZINC000509810822 1074354529 /nfs/dbraw/zinc/35/45/29/1074354529.db2.gz PPEKBTYXFRVXSI-CABCVRRESA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)S1(=O)=O ZINC000509810831 1074355073 /nfs/dbraw/zinc/35/50/73/1074355073.db2.gz PPEKBTYXFRVXSI-GJZGRUSLSA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)S1(=O)=O ZINC000509810835 1074355114 /nfs/dbraw/zinc/35/51/14/1074355114.db2.gz PPEKBTYXFRVXSI-HUUCEWRRSA-N 1 2 427.527 -0.422 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)S1(=O)=O ZINC000509810837 1074355018 /nfs/dbraw/zinc/35/50/18/1074355018.db2.gz PPEKBTYXFRVXSI-LSDHHAIUSA-N 1 2 427.527 -0.422 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(O)CCOCC1 ZINC000509815354 1071572243 /nfs/dbraw/zinc/57/22/43/1071572243.db2.gz ROPLQRMGMNCASA-UHFFFAOYSA-N 1 2 427.527 -0.626 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1)N1CCOCC1 ZINC000509841613 1071577917 /nfs/dbraw/zinc/57/79/17/1071577917.db2.gz XQEHRFOHFGGQDY-UHFFFAOYSA-N 1 2 433.528 -0.049 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1)N1CCOCC1 ZINC000509877650 1071584823 /nfs/dbraw/zinc/58/48/23/1071584823.db2.gz KVZQXMKPJDRLPS-UHFFFAOYSA-N 1 2 431.537 -0.483 20 0 IBADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000509911862 1071617234 /nfs/dbraw/zinc/61/72/34/1071617234.db2.gz QOEHIHIFTFEYJZ-UHFFFAOYSA-N 1 2 426.539 -0.153 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)cnc2n(C)c1=O ZINC000509949077 1071681662 /nfs/dbraw/zinc/68/16/62/1071681662.db2.gz NXRJSGPXISUUMP-UHFFFAOYSA-N 1 2 439.480 -0.634 20 0 IBADLO CC(C)c1noc(CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000509963165 1071719592 /nfs/dbraw/zinc/71/95/92/1071719592.db2.gz HQHSFFSLCSICBM-UHFFFAOYSA-N 1 2 443.574 -0.055 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000510078865 1070809459 /nfs/dbraw/zinc/80/94/59/1070809459.db2.gz JBAKBWUOEQVIGL-HNNXBMFYSA-N 1 2 440.522 -0.514 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000510078865 1070809431 /nfs/dbraw/zinc/80/94/31/1070809431.db2.gz JBAKBWUOEQVIGL-HNNXBMFYSA-N 1 2 440.522 -0.514 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000510078866 1070809783 /nfs/dbraw/zinc/80/97/83/1070809783.db2.gz JBAKBWUOEQVIGL-OAHLLOKOSA-N 1 2 440.522 -0.514 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000510078866 1070809751 /nfs/dbraw/zinc/80/97/51/1070809751.db2.gz JBAKBWUOEQVIGL-OAHLLOKOSA-N 1 2 440.522 -0.514 20 0 IBADLO CS(=O)(=O)NCC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000510192706 1070854771 /nfs/dbraw/zinc/85/47/71/1070854771.db2.gz MLEJUHDCSLJIPJ-UHFFFAOYSA-N 1 2 430.552 -0.516 20 0 IBADLO CSCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000510192737 1070854935 /nfs/dbraw/zinc/85/49/35/1070854935.db2.gz VNRABRARRHFCEW-UHFFFAOYSA-N 1 2 435.616 -0.728 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510242828 1070859870 /nfs/dbraw/zinc/85/98/70/1070859870.db2.gz NCSWMYQSGVWHKR-CYBMUJFWSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510242834 1070859743 /nfs/dbraw/zinc/85/97/43/1070859743.db2.gz NCSWMYQSGVWHKR-ZDUSSCGKSA-N 1 2 444.579 -0.127 20 0 IBADLO CC(=O)NC1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000510285371 1070886121 /nfs/dbraw/zinc/88/61/21/1070886121.db2.gz DXDYPUSFDACEHI-UHFFFAOYSA-N 1 2 430.575 -0.747 20 0 IBADLO CC(C)(CCCO)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000510435088 1070985131 /nfs/dbraw/zinc/98/51/31/1070985131.db2.gz RQFWIZRCKPZIJD-UHFFFAOYSA-N 1 2 434.541 -0.123 20 0 IBADLO CC(C)(CCCO)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000510435088 1070985117 /nfs/dbraw/zinc/98/51/17/1070985117.db2.gz RQFWIZRCKPZIJD-UHFFFAOYSA-N 1 2 434.541 -0.123 20 0 IBADLO Cn1nnc2c1nccc2C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510495794 1071008593 /nfs/dbraw/zinc/00/85/93/1071008593.db2.gz JRPFNRBYGOQKCN-UHFFFAOYSA-N 1 2 430.494 -0.360 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000510510417 1071011511 /nfs/dbraw/zinc/01/15/11/1071011511.db2.gz NCFBPLGXDFQERZ-KRWDZBQOSA-N 1 2 437.570 -0.520 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000510510418 1071011296 /nfs/dbraw/zinc/01/12/96/1071011296.db2.gz NCFBPLGXDFQERZ-QGZVFWFLSA-N 1 2 437.570 -0.520 20 0 IBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccnc1 ZINC000510514733 1071011586 /nfs/dbraw/zinc/01/15/86/1071011586.db2.gz NVNXQGIXHBQSQR-UHFFFAOYSA-N 1 2 447.521 -0.134 20 0 IBADLO CN(C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1)S(C)(=O)=O ZINC000510555770 1071012563 /nfs/dbraw/zinc/01/25/63/1071012563.db2.gz XTJZQTBKLKEPRA-UHFFFAOYSA-N 1 2 425.559 -0.336 20 0 IBADLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000510627351 1071014868 /nfs/dbraw/zinc/01/48/68/1071014868.db2.gz DGYKNIHPSKYFLC-UHFFFAOYSA-N 1 2 426.539 -0.090 20 0 IBADLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000510627351 1071014850 /nfs/dbraw/zinc/01/48/50/1071014850.db2.gz DGYKNIHPSKYFLC-UHFFFAOYSA-N 1 2 426.539 -0.090 20 0 IBADLO CCOC(=O)c1cnn(C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1C ZINC000510630029 1071015271 /nfs/dbraw/zinc/01/52/71/1071015271.db2.gz NEJQRAAFAADVCL-UHFFFAOYSA-N 1 2 432.481 -0.132 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(=O)[nH]c1=O ZINC000510657341 1071016212 /nfs/dbraw/zinc/01/62/12/1071016212.db2.gz JPDAAXPQNUBQPL-GFCCVEGCSA-N 1 2 430.531 -0.563 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(=O)[nH]c1=O ZINC000510657341 1071016195 /nfs/dbraw/zinc/01/61/95/1071016195.db2.gz JPDAAXPQNUBQPL-GFCCVEGCSA-N 1 2 430.531 -0.563 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c(=O)[nH]c1=O ZINC000510657343 1071015815 /nfs/dbraw/zinc/01/58/15/1071015815.db2.gz JPDAAXPQNUBQPL-LBPRGKRZSA-N 1 2 430.531 -0.563 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(=O)[nH]c1=O ZINC000510657343 1071015797 /nfs/dbraw/zinc/01/57/97/1071015797.db2.gz JPDAAXPQNUBQPL-LBPRGKRZSA-N 1 2 430.531 -0.563 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000510662368 1071016456 /nfs/dbraw/zinc/01/64/56/1071016456.db2.gz XZTWTUMJAHUJKG-CYBMUJFWSA-N 1 2 444.558 -0.173 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000510662368 1071016437 /nfs/dbraw/zinc/01/64/37/1071016437.db2.gz XZTWTUMJAHUJKG-CYBMUJFWSA-N 1 2 444.558 -0.173 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000510662594 1071016724 /nfs/dbraw/zinc/01/67/24/1071016724.db2.gz XZTWTUMJAHUJKG-ZDUSSCGKSA-N 1 2 444.558 -0.173 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000510662594 1071016709 /nfs/dbraw/zinc/01/67/09/1071016709.db2.gz XZTWTUMJAHUJKG-ZDUSSCGKSA-N 1 2 444.558 -0.173 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)ccn2)CC1 ZINC000510663449 1071016551 /nfs/dbraw/zinc/01/65/51/1071016551.db2.gz CSVRLBHCGJMDBY-INIZCTEOSA-N 1 2 442.520 -0.121 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)ccn2)CC1 ZINC000510663450 1071016805 /nfs/dbraw/zinc/01/68/05/1071016805.db2.gz CSVRLBHCGJMDBY-MRXNPFEDSA-N 1 2 442.520 -0.121 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC000510687297 1071017813 /nfs/dbraw/zinc/01/78/13/1071017813.db2.gz WUWFYYRKFCLAHP-CYBMUJFWSA-N 1 2 448.567 -0.116 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC000510687297 1071017792 /nfs/dbraw/zinc/01/77/92/1071017792.db2.gz WUWFYYRKFCLAHP-CYBMUJFWSA-N 1 2 448.567 -0.116 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC000510687298 1071017935 /nfs/dbraw/zinc/01/79/35/1071017935.db2.gz WUWFYYRKFCLAHP-ZDUSSCGKSA-N 1 2 448.567 -0.116 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC000510687298 1071017914 /nfs/dbraw/zinc/01/79/14/1071017914.db2.gz WUWFYYRKFCLAHP-ZDUSSCGKSA-N 1 2 448.567 -0.116 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510692033 1071018402 /nfs/dbraw/zinc/01/84/02/1071018402.db2.gz YCBAJQORFGEYHW-KRWDZBQOSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510692033 1071018383 /nfs/dbraw/zinc/01/83/83/1071018383.db2.gz YCBAJQORFGEYHW-KRWDZBQOSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510692034 1071018863 /nfs/dbraw/zinc/01/88/63/1071018863.db2.gz YCBAJQORFGEYHW-QGZVFWFLSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510692034 1071018845 /nfs/dbraw/zinc/01/88/45/1071018845.db2.gz YCBAJQORFGEYHW-QGZVFWFLSA-N 1 2 444.579 -0.587 20 0 IBADLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000510697196 1071018343 /nfs/dbraw/zinc/01/83/43/1071018343.db2.gz HMCBHZLIACSQAE-UHFFFAOYSA-N 1 2 426.539 -0.090 20 0 IBADLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000510697196 1071018323 /nfs/dbraw/zinc/01/83/23/1071018323.db2.gz HMCBHZLIACSQAE-UHFFFAOYSA-N 1 2 426.539 -0.090 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000510703547 1071019586 /nfs/dbraw/zinc/01/95/86/1071019586.db2.gz VBEKMDZJJGZXET-HNNXBMFYSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000510703547 1071019565 /nfs/dbraw/zinc/01/95/65/1071019565.db2.gz VBEKMDZJJGZXET-HNNXBMFYSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000510703553 1071019734 /nfs/dbraw/zinc/01/97/34/1071019734.db2.gz VBEKMDZJJGZXET-OAHLLOKOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000510703553 1071019716 /nfs/dbraw/zinc/01/97/16/1071019716.db2.gz VBEKMDZJJGZXET-OAHLLOKOSA-N 1 2 448.542 -0.589 20 0 IBADLO COc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000510733657 1071023341 /nfs/dbraw/zinc/02/33/41/1071023341.db2.gz KMOVOABLGKTLKI-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000510831970 1071028872 /nfs/dbraw/zinc/02/88/72/1071028872.db2.gz WPXBEXTZQYPLJO-UHFFFAOYSA-N 1 2 427.527 -0.057 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1C ZINC000510837348 1071028792 /nfs/dbraw/zinc/02/87/92/1071028792.db2.gz KLNYTSZPQBFFFS-UHFFFAOYSA-N 1 2 434.522 -0.550 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1C ZINC000510839042 1071029364 /nfs/dbraw/zinc/02/93/64/1071029364.db2.gz SMZWECFLJODCDV-UHFFFAOYSA-N 1 2 448.549 -0.160 20 0 IBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)[NH+]1CCN(C)CC1 ZINC000510895763 1071031430 /nfs/dbraw/zinc/03/14/30/1071031430.db2.gz ISYWAHDKIJFPLY-AWEZNQCLSA-N 1 2 436.538 -0.263 20 0 IBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)[NH+]1CCN(C)CC1 ZINC000510895764 1071031393 /nfs/dbraw/zinc/03/13/93/1071031393.db2.gz ISYWAHDKIJFPLY-CQSZACIVSA-N 1 2 436.538 -0.263 20 0 IBADLO COCCN1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000511003806 1071052059 /nfs/dbraw/zinc/05/20/59/1071052059.db2.gz VJIBUVPBMVCUJB-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO COCCN1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000511003806 1071052046 /nfs/dbraw/zinc/05/20/46/1071052046.db2.gz VJIBUVPBMVCUJB-KRWDZBQOSA-N 1 2 447.540 -0.218 20 0 IBADLO COCCN1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000511003808 1071052106 /nfs/dbraw/zinc/05/21/06/1071052106.db2.gz VJIBUVPBMVCUJB-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO COCCN1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000511003808 1071052093 /nfs/dbraw/zinc/05/20/93/1071052093.db2.gz VJIBUVPBMVCUJB-QGZVFWFLSA-N 1 2 447.540 -0.218 20 0 IBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000511031184 1071059135 /nfs/dbraw/zinc/05/91/35/1071059135.db2.gz OVSRPZRTWPSFPB-UHFFFAOYSA-N 1 2 429.477 -0.225 20 0 IBADLO O=C(CNC(=O)c1ncccc1O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000511062497 1071066131 /nfs/dbraw/zinc/06/61/31/1071066131.db2.gz DKSDVPHGGFBEPQ-UHFFFAOYSA-N 1 2 433.509 -0.406 20 0 IBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000511065769 1071067339 /nfs/dbraw/zinc/06/73/39/1071067339.db2.gz PQPFXMOARFTIAO-INIZCTEOSA-N 1 2 431.603 -0.599 20 0 IBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000511065769 1071067328 /nfs/dbraw/zinc/06/73/28/1071067328.db2.gz PQPFXMOARFTIAO-INIZCTEOSA-N 1 2 431.603 -0.599 20 0 IBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000511065770 1071067290 /nfs/dbraw/zinc/06/72/90/1071067290.db2.gz PQPFXMOARFTIAO-MRXNPFEDSA-N 1 2 431.603 -0.599 20 0 IBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000511065770 1071067283 /nfs/dbraw/zinc/06/72/83/1071067283.db2.gz PQPFXMOARFTIAO-MRXNPFEDSA-N 1 2 431.603 -0.599 20 0 IBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[NH+]1CCN(C)CC1 ZINC000511067496 1071067919 /nfs/dbraw/zinc/06/79/19/1071067919.db2.gz ZOEBZXHUOKLWMG-INIZCTEOSA-N 1 2 438.550 -0.073 20 0 IBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[NH+]1CCN(C)CC1 ZINC000511067497 1071067812 /nfs/dbraw/zinc/06/78/12/1071067812.db2.gz ZOEBZXHUOKLWMG-MRXNPFEDSA-N 1 2 438.550 -0.073 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511093163 1071078802 /nfs/dbraw/zinc/07/88/02/1071078802.db2.gz CTERXLSABCETDS-PBHICJAKSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511093163 1071078778 /nfs/dbraw/zinc/07/87/78/1071078778.db2.gz CTERXLSABCETDS-PBHICJAKSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511093164 1071079060 /nfs/dbraw/zinc/07/90/60/1071079060.db2.gz CTERXLSABCETDS-RHSMWYFYSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511093164 1071079036 /nfs/dbraw/zinc/07/90/36/1071079036.db2.gz CTERXLSABCETDS-RHSMWYFYSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511093165 1071078935 /nfs/dbraw/zinc/07/89/35/1071078935.db2.gz CTERXLSABCETDS-WMLDXEAASA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511093165 1071078918 /nfs/dbraw/zinc/07/89/18/1071078918.db2.gz CTERXLSABCETDS-WMLDXEAASA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511093166 1071079118 /nfs/dbraw/zinc/07/91/18/1071079118.db2.gz CTERXLSABCETDS-YOEHRIQHSA-N 1 2 446.595 -0.263 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511093166 1071079105 /nfs/dbraw/zinc/07/91/05/1071079105.db2.gz CTERXLSABCETDS-YOEHRIQHSA-N 1 2 446.595 -0.263 20 0 IBADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1)S(C)(=O)=O ZINC000511105125 1071086459 /nfs/dbraw/zinc/08/64/59/1071086459.db2.gz IXEFGRYMOVZBLP-AWEZNQCLSA-N 1 2 444.579 -0.174 20 0 IBADLO CN(C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1)S(C)(=O)=O ZINC000511105125 1071086442 /nfs/dbraw/zinc/08/64/42/1071086442.db2.gz IXEFGRYMOVZBLP-AWEZNQCLSA-N 1 2 444.579 -0.174 20 0 IBADLO CN(C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1)S(C)(=O)=O ZINC000511105127 1071086660 /nfs/dbraw/zinc/08/66/60/1071086660.db2.gz IXEFGRYMOVZBLP-CQSZACIVSA-N 1 2 444.579 -0.174 20 0 IBADLO CN(C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1)S(C)(=O)=O ZINC000511105127 1071086651 /nfs/dbraw/zinc/08/66/51/1071086651.db2.gz IXEFGRYMOVZBLP-CQSZACIVSA-N 1 2 444.579 -0.174 20 0 IBADLO COc1ccnc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)n1 ZINC000511250048 1071219088 /nfs/dbraw/zinc/21/90/88/1071219088.db2.gz IXFVYFCEPJMYKI-UHFFFAOYSA-N 1 2 427.513 -0.071 20 0 IBADLO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000511263421 1071228762 /nfs/dbraw/zinc/22/87/62/1071228762.db2.gz XHCQDSPGLUJNME-MSOLQXFVSA-N 1 2 443.614 -0.093 20 0 IBADLO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000511263440 1071228892 /nfs/dbraw/zinc/22/88/92/1071228892.db2.gz XHCQDSPGLUJNME-QZTJIDSGSA-N 1 2 443.614 -0.093 20 0 IBADLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000511263444 1071228858 /nfs/dbraw/zinc/22/88/58/1071228858.db2.gz XHCQDSPGLUJNME-ROUUACIJSA-N 1 2 443.614 -0.093 20 0 IBADLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000511263447 1071228942 /nfs/dbraw/zinc/22/89/42/1071228942.db2.gz XHCQDSPGLUJNME-ZWKOTPCHSA-N 1 2 443.614 -0.093 20 0 IBADLO COCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000511266567 1071229546 /nfs/dbraw/zinc/22/95/46/1071229546.db2.gz MNSJZNGKUKDBDZ-UHFFFAOYSA-N 1 2 441.554 -0.253 20 0 IBADLO O=C(CN1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1)N1CCOCC1 ZINC000511268769 1071229610 /nfs/dbraw/zinc/22/96/10/1071229610.db2.gz CYROIMHGFMRSSO-FQEVSTJZSA-N 1 2 441.598 -0.620 20 0 IBADLO O=C(CN1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1)N1CCOCC1 ZINC000511268770 1071229596 /nfs/dbraw/zinc/22/95/96/1071229596.db2.gz CYROIMHGFMRSSO-HXUWFJFHSA-N 1 2 441.598 -0.620 20 0 IBADLO Cc1cccc(-n2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)c1 ZINC000511270054 1071230147 /nfs/dbraw/zinc/23/01/47/1071230147.db2.gz XWPLEKSHHFFILW-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000511322947 1071255778 /nfs/dbraw/zinc/25/57/78/1071255778.db2.gz HZNFJDXCNOCUSL-UHFFFAOYSA-N 1 2 440.522 -0.181 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000511326173 1071266034 /nfs/dbraw/zinc/26/60/34/1071266034.db2.gz OPAMJXGALYLIIK-UHFFFAOYSA-N 1 2 440.522 -0.181 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000511328029 1071265605 /nfs/dbraw/zinc/26/56/05/1071265605.db2.gz SPPJUIMSDKGITH-UHFFFAOYSA-N 1 2 426.495 -0.571 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000511328736 1071265739 /nfs/dbraw/zinc/26/57/39/1071265739.db2.gz SKMIVQAXROSHJS-UHFFFAOYSA-N 1 2 440.522 -0.181 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000511422515 1071298319 /nfs/dbraw/zinc/29/83/19/1071298319.db2.gz JSEKCAANZSUNGO-UHFFFAOYSA-N 1 2 425.442 -0.202 20 0 IBADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCC(=O)N1C1CC1 ZINC000511447840 1071302122 /nfs/dbraw/zinc/30/21/22/1071302122.db2.gz URAPQABXGJCYFD-DNVCBOLYSA-N 1 2 441.496 -0.780 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455088 1071302675 /nfs/dbraw/zinc/30/26/75/1071302675.db2.gz RAHKGSHJTOBBHJ-GOSISDBHSA-N 1 2 438.550 -0.308 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455089 1071302697 /nfs/dbraw/zinc/30/26/97/1071302697.db2.gz RAHKGSHJTOBBHJ-SFHVURJKSA-N 1 2 438.550 -0.308 20 0 IBADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000511456648 1071303248 /nfs/dbraw/zinc/30/32/48/1071303248.db2.gz GAGYGDSQXCMKGB-UHFFFAOYSA-N 1 2 446.489 -0.631 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511460215 1071304054 /nfs/dbraw/zinc/30/40/54/1071304054.db2.gz KYIZUHNEOYALQU-HNNXBMFYSA-N 1 2 425.511 -0.767 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511460216 1071303880 /nfs/dbraw/zinc/30/38/80/1071303880.db2.gz KYIZUHNEOYALQU-OAHLLOKOSA-N 1 2 425.511 -0.767 20 0 IBADLO COc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000511501186 1071307106 /nfs/dbraw/zinc/30/71/06/1071307106.db2.gz UIWDSQLVKIIBGX-UHFFFAOYSA-N 1 2 448.505 -0.308 20 0 IBADLO CC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000511534003 1071342808 /nfs/dbraw/zinc/34/28/08/1071342808.db2.gz KXPIRKXIHBTXBC-UHFFFAOYSA-N 1 2 437.522 -0.536 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511539924 1071348536 /nfs/dbraw/zinc/34/85/36/1071348536.db2.gz GHLZCQMTKIIJNZ-KBPBESRZSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511539924 1071348524 /nfs/dbraw/zinc/34/85/24/1071348524.db2.gz GHLZCQMTKIIJNZ-KBPBESRZSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540180 1071348110 /nfs/dbraw/zinc/34/81/10/1071348110.db2.gz GHLZCQMTKIIJNZ-KGLIPLIRSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540180 1071348102 /nfs/dbraw/zinc/34/81/02/1071348102.db2.gz GHLZCQMTKIIJNZ-KGLIPLIRSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540181 1071347848 /nfs/dbraw/zinc/34/78/48/1071347848.db2.gz GHLZCQMTKIIJNZ-UONOGXRCSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540181 1071347834 /nfs/dbraw/zinc/34/78/34/1071347834.db2.gz GHLZCQMTKIIJNZ-UONOGXRCSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540182 1071347877 /nfs/dbraw/zinc/34/78/77/1071347877.db2.gz GHLZCQMTKIIJNZ-ZIAGYGMSSA-N 1 2 438.529 -0.138 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)c(=O)[nH]c1=O ZINC000511540182 1071347866 /nfs/dbraw/zinc/34/78/66/1071347866.db2.gz GHLZCQMTKIIJNZ-ZIAGYGMSSA-N 1 2 438.529 -0.138 20 0 IBADLO CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000511557552 1071351445 /nfs/dbraw/zinc/35/14/45/1071351445.db2.gz WDDXFDXIXSAYDG-UHFFFAOYSA-N 1 2 439.538 -0.340 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCOCC1 ZINC000511674827 1071398347 /nfs/dbraw/zinc/39/83/47/1071398347.db2.gz VGPUDXVKWBRZHX-INIZCTEOSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCOCC1 ZINC000511674827 1071398332 /nfs/dbraw/zinc/39/83/32/1071398332.db2.gz VGPUDXVKWBRZHX-INIZCTEOSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCOCC1 ZINC000511674830 1071398457 /nfs/dbraw/zinc/39/84/57/1071398457.db2.gz VGPUDXVKWBRZHX-MRXNPFEDSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCOCC1 ZINC000511674830 1071398444 /nfs/dbraw/zinc/39/84/44/1071398444.db2.gz VGPUDXVKWBRZHX-MRXNPFEDSA-N 1 2 432.525 -0.107 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000511717049 1071403016 /nfs/dbraw/zinc/40/30/16/1071403016.db2.gz WZJKUHGUGULGIT-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)c2)CC1 ZINC000511746904 1071404509 /nfs/dbraw/zinc/40/45/09/1071404509.db2.gz ZYUZJJNMMFSGQD-KRWDZBQOSA-N 1 2 437.566 -0.230 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)c2)CC1 ZINC000511746906 1071404489 /nfs/dbraw/zinc/40/44/89/1071404489.db2.gz ZYUZJJNMMFSGQD-QGZVFWFLSA-N 1 2 437.566 -0.230 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)c2)CC1 ZINC000511754804 1071405491 /nfs/dbraw/zinc/40/54/91/1071405491.db2.gz OIEXXYGOLADVIH-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO COC(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000511825055 1071410255 /nfs/dbraw/zinc/41/02/55/1071410255.db2.gz OBSYSTUVVQTQPT-UHFFFAOYSA-N 1 2 446.551 -0.728 20 0 IBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000511897991 1071429312 /nfs/dbraw/zinc/42/93/12/1071429312.db2.gz IPCKPKNCPQEDAI-INIZCTEOSA-N 1 2 433.461 -0.494 20 0 IBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000511897992 1071429461 /nfs/dbraw/zinc/42/94/61/1071429461.db2.gz IPCKPKNCPQEDAI-MRXNPFEDSA-N 1 2 433.461 -0.494 20 0 IBADLO Cn1cc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c(=O)n(C)c1=O ZINC000512037413 1071459822 /nfs/dbraw/zinc/45/98/22/1071459822.db2.gz POMSEDRAYQYPMO-UHFFFAOYSA-N 1 2 428.433 -0.641 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000512075259 1071462823 /nfs/dbraw/zinc/46/28/23/1071462823.db2.gz IWLCHFLJSIYJKG-IYBDPMFKSA-N 1 2 425.511 -0.657 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000512087590 1071463517 /nfs/dbraw/zinc/46/35/17/1071463517.db2.gz GAADODKOHMKBSU-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512088119 1071463450 /nfs/dbraw/zinc/46/34/50/1071463450.db2.gz HRASXUJSTDSARK-INIZCTEOSA-N 1 2 438.554 -0.299 20 0 IBADLO CS(=O)(=O)N1CC[C@H](CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512088120 1071463604 /nfs/dbraw/zinc/46/36/04/1071463604.db2.gz HRASXUJSTDSARK-MRXNPFEDSA-N 1 2 438.554 -0.299 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)CC1 ZINC000512151479 1071467241 /nfs/dbraw/zinc/46/72/41/1071467241.db2.gz YYIAISKHPFFYCB-UHFFFAOYSA-N 1 2 425.493 -0.180 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000512165662 1071468340 /nfs/dbraw/zinc/46/83/40/1071468340.db2.gz HGWZEBTUNKNTDX-QZTJIDSGSA-N 1 2 427.523 -0.390 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000512165662 1071468329 /nfs/dbraw/zinc/46/83/29/1071468329.db2.gz HGWZEBTUNKNTDX-QZTJIDSGSA-N 1 2 427.523 -0.390 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000512168495 1071469828 /nfs/dbraw/zinc/46/98/28/1071469828.db2.gz KPSNHXSPNBJLTH-HZPDHXFCSA-N 1 2 447.492 -0.750 20 0 IBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000512168495 1071469825 /nfs/dbraw/zinc/46/98/25/1071469825.db2.gz KPSNHXSPNBJLTH-HZPDHXFCSA-N 1 2 447.492 -0.750 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1OC ZINC000512171834 1071470640 /nfs/dbraw/zinc/47/06/40/1071470640.db2.gz ZATJOIWUCDYYCA-HZPDHXFCSA-N 1 2 443.522 -0.772 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1OC ZINC000512171834 1071470630 /nfs/dbraw/zinc/47/06/30/1071470630.db2.gz ZATJOIWUCDYYCA-HZPDHXFCSA-N 1 2 443.522 -0.772 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1S(=O)(=O)N1CCOCC1 ZINC000512213455 1071476503 /nfs/dbraw/zinc/47/65/03/1071476503.db2.gz RQVIHZQUGKYCAB-HUUCEWRRSA-N 1 2 429.495 -0.654 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)cc1S(=O)(=O)N1CCOCC1 ZINC000512213455 1071476499 /nfs/dbraw/zinc/47/64/99/1071476499.db2.gz RQVIHZQUGKYCAB-HUUCEWRRSA-N 1 2 429.495 -0.654 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)c1 ZINC000512217546 1071476525 /nfs/dbraw/zinc/47/65/25/1071476525.db2.gz GATIZAINDMLBMU-HZPDHXFCSA-N 1 2 443.522 -0.772 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)c1 ZINC000512217546 1071476520 /nfs/dbraw/zinc/47/65/20/1071476520.db2.gz GATIZAINDMLBMU-HZPDHXFCSA-N 1 2 443.522 -0.772 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000512221551 1071476586 /nfs/dbraw/zinc/47/65/86/1071476586.db2.gz YZDYHGXSDURCDR-QZTJIDSGSA-N 1 2 425.507 -0.586 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000512221551 1071476583 /nfs/dbraw/zinc/47/65/83/1071476583.db2.gz YZDYHGXSDURCDR-QZTJIDSGSA-N 1 2 425.507 -0.586 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1C ZINC000512222716 1071477433 /nfs/dbraw/zinc/47/74/33/1071477433.db2.gz WAJQUYZVOQLDKU-UHFFFAOYSA-N 1 2 436.542 -0.875 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)c1 ZINC000512229591 1071477283 /nfs/dbraw/zinc/47/72/83/1071477283.db2.gz REQNLMCMVAVPTN-QZTJIDSGSA-N 1 2 425.507 -0.586 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)c1 ZINC000512229591 1071477273 /nfs/dbraw/zinc/47/72/73/1071477273.db2.gz REQNLMCMVAVPTN-QZTJIDSGSA-N 1 2 425.507 -0.586 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000512269954 1071479917 /nfs/dbraw/zinc/47/99/17/1071479917.db2.gz LEOOQNJJTFSUGI-HNNXBMFYSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000512269954 1071479912 /nfs/dbraw/zinc/47/99/12/1071479912.db2.gz LEOOQNJJTFSUGI-HNNXBMFYSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000512269955 1071479980 /nfs/dbraw/zinc/47/99/80/1071479980.db2.gz LEOOQNJJTFSUGI-OAHLLOKOSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000512269955 1071479974 /nfs/dbraw/zinc/47/99/74/1071479974.db2.gz LEOOQNJJTFSUGI-OAHLLOKOSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000512272811 1071480769 /nfs/dbraw/zinc/48/07/69/1071480769.db2.gz VGRGKTPDSIKHDJ-HNNXBMFYSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000512272811 1071480765 /nfs/dbraw/zinc/48/07/65/1071480765.db2.gz VGRGKTPDSIKHDJ-HNNXBMFYSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000512272812 1071480695 /nfs/dbraw/zinc/48/06/95/1071480695.db2.gz VGRGKTPDSIKHDJ-OAHLLOKOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000512272812 1071480686 /nfs/dbraw/zinc/48/06/86/1071480686.db2.gz VGRGKTPDSIKHDJ-OAHLLOKOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000512283270 1071481510 /nfs/dbraw/zinc/48/15/10/1071481510.db2.gz ZWPRFOKEWDGIGA-AWEZNQCLSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000512283270 1071481505 /nfs/dbraw/zinc/48/15/05/1071481505.db2.gz ZWPRFOKEWDGIGA-AWEZNQCLSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000512283271 1071481419 /nfs/dbraw/zinc/48/14/19/1071481419.db2.gz ZWPRFOKEWDGIGA-CQSZACIVSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000512283271 1071481411 /nfs/dbraw/zinc/48/14/11/1071481411.db2.gz ZWPRFOKEWDGIGA-CQSZACIVSA-N 1 2 448.542 -0.589 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1C ZINC000512289239 1071482152 /nfs/dbraw/zinc/48/21/52/1071482152.db2.gz KUUDTZQCNWJMPN-UHFFFAOYSA-N 1 2 449.537 -0.743 20 0 IBADLO Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n2ncnc2n1 ZINC000512297244 1071482349 /nfs/dbraw/zinc/48/23/49/1071482349.db2.gz AHGZLHUTASTEKH-KRWDZBQOSA-N 1 2 442.524 -0.738 20 0 IBADLO Cc1nc(CN2CCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)CC2)no1 ZINC000512342815 1071486303 /nfs/dbraw/zinc/48/63/03/1071486303.db2.gz XUFGLJQVOSTMRM-UHFFFAOYSA-N 1 2 440.512 -0.479 20 0 IBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000512371276 1071495462 /nfs/dbraw/zinc/49/54/62/1071495462.db2.gz GDNBWKQWBQWKIE-UHFFFAOYSA-N 1 2 432.525 -0.838 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)n1 ZINC000512378516 1071497679 /nfs/dbraw/zinc/49/76/79/1071497679.db2.gz QYHRTJUNVYZKJA-INIZCTEOSA-N 1 2 427.513 -0.173 20 0 IBADLO Cn1ccc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)n1 ZINC000512378517 1071497806 /nfs/dbraw/zinc/49/78/06/1071497806.db2.gz QYHRTJUNVYZKJA-MRXNPFEDSA-N 1 2 427.513 -0.173 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000512474289 1071514510 /nfs/dbraw/zinc/51/45/10/1071514510.db2.gz MTTNIZZPTSUEDG-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000512474289 1071514503 /nfs/dbraw/zinc/51/45/03/1071514503.db2.gz MTTNIZZPTSUEDG-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)cnc2n(C)c1=O ZINC000512601215 1071551713 /nfs/dbraw/zinc/55/17/13/1071551713.db2.gz FEOYDVHMENQTBI-UHFFFAOYSA-N 1 2 442.501 -0.193 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)cnc2n(C)c1=O ZINC000512601215 1071551701 /nfs/dbraw/zinc/55/17/01/1071551701.db2.gz FEOYDVHMENQTBI-UHFFFAOYSA-N 1 2 442.501 -0.193 20 0 IBADLO O=C(NCCN1CCNC(=O)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000512688339 1071557103 /nfs/dbraw/zinc/55/71/03/1071557103.db2.gz HKIMWBZYTDMOGW-INIZCTEOSA-N 1 2 432.529 -0.987 20 0 IBADLO O=C(NCCN1CCNC(=O)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000512688339 1071557097 /nfs/dbraw/zinc/55/70/97/1071557097.db2.gz HKIMWBZYTDMOGW-INIZCTEOSA-N 1 2 432.529 -0.987 20 0 IBADLO O=C(NCCN1CCNC(=O)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000512688340 1071557122 /nfs/dbraw/zinc/55/71/22/1071557122.db2.gz HKIMWBZYTDMOGW-MRXNPFEDSA-N 1 2 432.529 -0.987 20 0 IBADLO O=C(NCCN1CCNC(=O)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000512688340 1071557116 /nfs/dbraw/zinc/55/71/16/1071557116.db2.gz HKIMWBZYTDMOGW-MRXNPFEDSA-N 1 2 432.529 -0.987 20 0 IBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000512727269 1071562033 /nfs/dbraw/zinc/56/20/33/1071562033.db2.gz FKOHPPULEPSUAU-FGTMMUONSA-N 1 2 449.577 -0.399 20 0 IBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000512727270 1071561877 /nfs/dbraw/zinc/56/18/77/1071561877.db2.gz FKOHPPULEPSUAU-KZNAEPCWSA-N 1 2 449.577 -0.399 20 0 IBADLO O=C(NCCn1cccc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000512755914 1071563747 /nfs/dbraw/zinc/56/37/47/1071563747.db2.gz MQVMRSAQHVCTHB-UHFFFAOYSA-N 1 2 434.522 -0.733 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1 ZINC000512784362 1071567766 /nfs/dbraw/zinc/56/77/66/1071567766.db2.gz XCFBFZCNIDFAMJ-UHFFFAOYSA-N 1 2 440.430 -0.282 20 0 IBADLO Cc1ccc(-n2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)cc1 ZINC000512790875 1071568287 /nfs/dbraw/zinc/56/82/87/1071568287.db2.gz UEOOKRMFFUNSGZ-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO Cc1ccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)n2)cc1 ZINC000512803943 1071569533 /nfs/dbraw/zinc/56/95/33/1071569533.db2.gz FMDCAFPIBZSMES-UHFFFAOYSA-N 1 2 448.553 -0.715 20 0 IBADLO Cc1c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nnn1-c1ccccc1 ZINC000512808364 1071569098 /nfs/dbraw/zinc/56/90/98/1071569098.db2.gz PAGPXCHEMFZXBG-UHFFFAOYSA-N 1 2 447.565 -0.245 20 0 IBADLO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 ZINC000512831606 1071571575 /nfs/dbraw/zinc/57/15/75/1071571575.db2.gz GPABUQCIWGLDNB-UHFFFAOYSA-N 1 2 429.477 -0.179 20 0 IBADLO O=C1NC[C@@H]2[C@H]1CCCN2c1nc(N2CCOCC2)nc(N2CCC[C@H]3C(=O)NC[C@H]32)[nH+]1 ZINC000513051314 1071589683 /nfs/dbraw/zinc/58/96/83/1071589683.db2.gz KNEKTKRPNQSISZ-KLHDSHLOSA-N 1 2 442.524 -0.862 20 0 IBADLO O=C1NC[C@@H]2[C@H]1CCCN2c1nc(N2CCOCC2)[nH+]c(N2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000513051314 1071589673 /nfs/dbraw/zinc/58/96/73/1071589673.db2.gz KNEKTKRPNQSISZ-KLHDSHLOSA-N 1 2 442.524 -0.862 20 0 IBADLO COCCOc1cncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000513062023 1071591263 /nfs/dbraw/zinc/59/12/63/1071591263.db2.gz QWYOCGZANOOTBD-UHFFFAOYSA-N 1 2 427.527 -0.643 20 0 IBADLO CC(C)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000513191532 1071614861 /nfs/dbraw/zinc/61/48/61/1071614861.db2.gz OZYWTWPLFVXYOY-UHFFFAOYSA-N 1 2 425.555 -0.240 20 0 IBADLO O=C(c1cccc(O)c1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000513245494 1071618947 /nfs/dbraw/zinc/61/89/47/1071618947.db2.gz IPDPYVPFPOYXAW-GOSISDBHSA-N 1 2 430.505 -0.143 20 0 IBADLO O=C(c1cccc(O)c1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000513245496 1071618997 /nfs/dbraw/zinc/61/89/97/1071618997.db2.gz IPDPYVPFPOYXAW-SFHVURJKSA-N 1 2 430.505 -0.143 20 0 IBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1)C(N)=O ZINC000513270345 1071620018 /nfs/dbraw/zinc/62/00/18/1071620018.db2.gz DDNDWZBZUWJROO-UHFFFAOYSA-N 1 2 433.509 -0.344 20 0 IBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1)C(N)=O ZINC000513272906 1071620619 /nfs/dbraw/zinc/62/06/19/1071620619.db2.gz TXXCNDBPWSYTPZ-UHFFFAOYSA-N 1 2 435.569 -0.061 20 0 IBADLO CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513286952 1071621645 /nfs/dbraw/zinc/62/16/45/1071621645.db2.gz LLJMFGFFAOWNHR-BRWVUGGUSA-N 1 2 439.509 -0.347 20 0 IBADLO CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513286955 1071621670 /nfs/dbraw/zinc/62/16/70/1071621670.db2.gz LLJMFGFFAOWNHR-GVDBMIGSSA-N 1 2 439.509 -0.347 20 0 IBADLO COc1cc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000513289650 1071622239 /nfs/dbraw/zinc/62/22/39/1071622239.db2.gz QPSLVGOVDVPLAS-HNNXBMFYSA-N 1 2 426.543 -0.029 20 0 IBADLO COc1cc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000513289651 1071622188 /nfs/dbraw/zinc/62/21/88/1071622188.db2.gz QPSLVGOVDVPLAS-OAHLLOKOSA-N 1 2 426.543 -0.029 20 0 IBADLO O=C(COc1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000513349210 1071624226 /nfs/dbraw/zinc/62/42/26/1071624226.db2.gz UQQHZRCSVSWRQP-MOPGFXCFSA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(COc1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000513349211 1071624240 /nfs/dbraw/zinc/62/42/40/1071624240.db2.gz UQQHZRCSVSWRQP-OALUTQOASA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(COc1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000513349212 1071624188 /nfs/dbraw/zinc/62/41/88/1071624188.db2.gz UQQHZRCSVSWRQP-RBUKOAKNSA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(COc1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000513349213 1071624244 /nfs/dbraw/zinc/62/42/44/1071624244.db2.gz UQQHZRCSVSWRQP-RTBURBONSA-N 1 2 444.532 -0.037 20 0 IBADLO C[NH+]1CCN(C(=O)Cn2cc(NS(=O)(=O)C3CN(C(=O)C4CCCC4)C3)cn2)CC1 ZINC000513408736 1071627292 /nfs/dbraw/zinc/62/72/92/1071627292.db2.gz PFYRKUPAFXCOFP-UHFFFAOYSA-N 1 2 438.554 -0.200 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513425253 1071627903 /nfs/dbraw/zinc/62/79/03/1071627903.db2.gz RXKTWIGODPMFBX-FXAWDEMLSA-N 1 2 439.582 -0.218 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513425254 1071627857 /nfs/dbraw/zinc/62/78/57/1071627857.db2.gz RXKTWIGODPMFBX-PXNSSMCTSA-N 1 2 439.582 -0.218 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513425255 1071627799 /nfs/dbraw/zinc/62/77/99/1071627799.db2.gz RXKTWIGODPMFBX-XLIONFOSSA-N 1 2 439.582 -0.218 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513425256 1071627831 /nfs/dbraw/zinc/62/78/31/1071627831.db2.gz RXKTWIGODPMFBX-YLJYHZDGSA-N 1 2 439.582 -0.218 20 0 IBADLO CCNC(=O)NC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000513522489 1071633214 /nfs/dbraw/zinc/63/32/14/1071633214.db2.gz RLRZSOCWCCNEOU-UHFFFAOYSA-N 1 2 430.575 -0.745 20 0 IBADLO CCC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000513529416 1071634389 /nfs/dbraw/zinc/63/43/89/1071634389.db2.gz WULBISOMTBOYGK-IBGZPJMESA-N 1 2 437.566 -0.110 20 0 IBADLO CCC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000513529417 1071634350 /nfs/dbraw/zinc/63/43/50/1071634350.db2.gz WULBISOMTBOYGK-LJQANCHMSA-N 1 2 437.566 -0.110 20 0 IBADLO Cc1ccn2c(c1)ncc(C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)c2=O ZINC000513532892 1071635034 /nfs/dbraw/zinc/63/50/34/1071635034.db2.gz GPCQKNUFBPIRCC-UHFFFAOYSA-N 1 2 434.522 -0.747 20 0 IBADLO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2=O ZINC000513545251 1071635065 /nfs/dbraw/zinc/63/50/65/1071635065.db2.gz CEOLTUBMDVEPOK-UHFFFAOYSA-N 1 2 449.533 -0.773 20 0 IBADLO Cc1cccc(NC(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000513547014 1071635367 /nfs/dbraw/zinc/63/53/67/1071635367.db2.gz NBMRYWAFEAMVCI-UHFFFAOYSA-N 1 2 438.554 -0.247 20 0 IBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000513548691 1071635377 /nfs/dbraw/zinc/63/53/77/1071635377.db2.gz WQARUQGTXCMJCO-UHFFFAOYSA-N 1 2 437.526 -0.768 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000513688933 1071643751 /nfs/dbraw/zinc/64/37/51/1071643751.db2.gz OEWDQRWWZPLEJL-DLBZAZTESA-N 1 2 426.539 -0.216 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000513688934 1071643853 /nfs/dbraw/zinc/64/38/53/1071643853.db2.gz OEWDQRWWZPLEJL-IRXDYDNUSA-N 1 2 426.539 -0.216 20 0 IBADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000513716993 1071662126 /nfs/dbraw/zinc/66/21/26/1071662126.db2.gz KUGIIZVBUUEDHE-UHFFFAOYSA-N 1 2 429.543 -0.075 20 0 IBADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000513716993 1071662125 /nfs/dbraw/zinc/66/21/25/1071662125.db2.gz KUGIIZVBUUEDHE-UHFFFAOYSA-N 1 2 429.543 -0.075 20 0 IBADLO CCc1c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513778545 1071715785 /nfs/dbraw/zinc/71/57/85/1071715785.db2.gz PBHPFGSNTTZWND-UHFFFAOYSA-N 1 2 441.492 -0.024 20 0 IBADLO CCc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513779581 1071715706 /nfs/dbraw/zinc/71/57/06/1071715706.db2.gz HENAHKXKDVQOQL-UHFFFAOYSA-N 1 2 441.492 -0.024 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 ZINC000513810948 1071740037 /nfs/dbraw/zinc/74/00/37/1071740037.db2.gz KFUHZTPSIZUMIQ-UHFFFAOYSA-N 1 2 430.509 -0.521 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 ZINC000513810948 1071740034 /nfs/dbraw/zinc/74/00/34/1071740034.db2.gz KFUHZTPSIZUMIQ-UHFFFAOYSA-N 1 2 430.509 -0.521 20 0 IBADLO CS(=O)(=O)N1CCC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000513999629 1071780611 /nfs/dbraw/zinc/78/06/11/1071780611.db2.gz OJDSAWZBDHFBTF-UHFFFAOYSA-N 1 2 425.559 -0.431 20 0 IBADLO CCc1c(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514007964 1071781378 /nfs/dbraw/zinc/78/13/78/1071781378.db2.gz WVDBISUVORGLTN-CYBMUJFWSA-N 1 2 431.493 -0.096 20 0 IBADLO CCc1c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514007965 1071781278 /nfs/dbraw/zinc/78/12/78/1071781278.db2.gz WVDBISUVORGLTN-ZDUSSCGKSA-N 1 2 431.493 -0.096 20 0 IBADLO CN(C)C(=O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514134271 1071788431 /nfs/dbraw/zinc/78/84/31/1071788431.db2.gz KBXXLLNPWLPJJW-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000514232590 1071793711 /nfs/dbraw/zinc/79/37/11/1071793711.db2.gz NNBGSTOPQKPTMU-INIZCTEOSA-N 1 2 428.489 -0.078 20 0 IBADLO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000514232591 1071793970 /nfs/dbraw/zinc/79/39/70/1071793970.db2.gz NNBGSTOPQKPTMU-MRXNPFEDSA-N 1 2 428.489 -0.078 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cn1 ZINC000514302931 1071795554 /nfs/dbraw/zinc/79/55/54/1071795554.db2.gz FQRPBOPZFYKMHZ-AOIWGVFYSA-N 1 2 434.541 -0.188 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cn1 ZINC000514302937 1071795641 /nfs/dbraw/zinc/79/56/41/1071795641.db2.gz FQRPBOPZFYKMHZ-LMMKCTJWSA-N 1 2 434.541 -0.188 20 0 IBADLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCN1S(C)(=O)=O ZINC000514309105 1071796923 /nfs/dbraw/zinc/79/69/23/1071796923.db2.gz ZIWVSEDRRKVWGF-INIZCTEOSA-N 1 2 438.554 -0.204 20 0 IBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000514309837 1071796791 /nfs/dbraw/zinc/79/67/91/1071796791.db2.gz HZANGTOMRLYMFC-UHFFFAOYSA-N 1 2 443.526 -0.495 20 0 IBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000514309837 1071796777 /nfs/dbraw/zinc/79/67/77/1071796777.db2.gz HZANGTOMRLYMFC-UHFFFAOYSA-N 1 2 443.526 -0.495 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000514313298 1071802372 /nfs/dbraw/zinc/80/23/72/1071802372.db2.gz KWPPYJJVJHSDHJ-DLBZAZTESA-N 1 2 444.598 -0.076 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000514313299 1071799677 /nfs/dbraw/zinc/79/96/77/1071799677.db2.gz KWPPYJJVJHSDHJ-IAGOWNOFSA-N 1 2 444.598 -0.076 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000514313300 1071799443 /nfs/dbraw/zinc/79/94/43/1071799443.db2.gz KWPPYJJVJHSDHJ-IRXDYDNUSA-N 1 2 444.598 -0.076 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000514313301 1071799420 /nfs/dbraw/zinc/79/94/20/1071799420.db2.gz KWPPYJJVJHSDHJ-SJORKVTESA-N 1 2 444.598 -0.076 20 0 IBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319383 1071800646 /nfs/dbraw/zinc/80/06/46/1071800646.db2.gz NNDZIWJCPIBQLG-JXFKEZNVSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319383 1071800638 /nfs/dbraw/zinc/80/06/38/1071800638.db2.gz NNDZIWJCPIBQLG-JXFKEZNVSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319384 1071800214 /nfs/dbraw/zinc/80/02/14/1071800214.db2.gz NNDZIWJCPIBQLG-OXJNMPFZSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319384 1071800195 /nfs/dbraw/zinc/80/01/95/1071800195.db2.gz NNDZIWJCPIBQLG-OXJNMPFZSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319385 1071800593 /nfs/dbraw/zinc/80/05/93/1071800593.db2.gz NNDZIWJCPIBQLG-OXQOHEQNSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319385 1071800584 /nfs/dbraw/zinc/80/05/84/1071800584.db2.gz NNDZIWJCPIBQLG-OXQOHEQNSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319386 1071800494 /nfs/dbraw/zinc/80/04/94/1071800494.db2.gz NNDZIWJCPIBQLG-UZLBHIALSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CCO1 ZINC000514319386 1071800475 /nfs/dbraw/zinc/80/04/75/1071800475.db2.gz NNDZIWJCPIBQLG-UZLBHIALSA-N 1 2 446.504 -0.330 20 0 IBADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514321210 1071800560 /nfs/dbraw/zinc/80/05/60/1071800560.db2.gz NGLALMDNPIOVGB-CVEARBPZSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514321210 1071800549 /nfs/dbraw/zinc/80/05/49/1071800549.db2.gz NGLALMDNPIOVGB-CVEARBPZSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514321211 1071800321 /nfs/dbraw/zinc/80/03/21/1071800321.db2.gz NGLALMDNPIOVGB-HOTGVXAUSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514321211 1071800304 /nfs/dbraw/zinc/80/03/04/1071800304.db2.gz NGLALMDNPIOVGB-HOTGVXAUSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514321212 1071800364 /nfs/dbraw/zinc/80/03/64/1071800364.db2.gz NGLALMDNPIOVGB-HZPDHXFCSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514321212 1071800354 /nfs/dbraw/zinc/80/03/54/1071800354.db2.gz NGLALMDNPIOVGB-HZPDHXFCSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514321213 1071800617 /nfs/dbraw/zinc/80/06/17/1071800617.db2.gz NGLALMDNPIOVGB-JKSUJKDBSA-N 1 2 430.477 -0.070 20 0 IBADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514321213 1071800609 /nfs/dbraw/zinc/80/06/09/1071800609.db2.gz NGLALMDNPIOVGB-JKSUJKDBSA-N 1 2 430.477 -0.070 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000514325109 1071801740 /nfs/dbraw/zinc/80/17/40/1071801740.db2.gz KUQOZBAAURONMP-KRWDZBQOSA-N 1 2 440.522 -0.006 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000514325110 1071801794 /nfs/dbraw/zinc/80/17/94/1071801794.db2.gz KUQOZBAAURONMP-QGZVFWFLSA-N 1 2 440.522 -0.006 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412394 1071814920 /nfs/dbraw/zinc/81/49/20/1071814920.db2.gz PNMDWTZCPSOQHK-GDBMZVCRSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412394 1071814904 /nfs/dbraw/zinc/81/49/04/1071814904.db2.gz PNMDWTZCPSOQHK-GDBMZVCRSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412395 1071815021 /nfs/dbraw/zinc/81/50/21/1071815021.db2.gz PNMDWTZCPSOQHK-GOEBONIOSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412395 1071815011 /nfs/dbraw/zinc/81/50/11/1071815011.db2.gz PNMDWTZCPSOQHK-GOEBONIOSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412396 1071814727 /nfs/dbraw/zinc/81/47/27/1071814727.db2.gz PNMDWTZCPSOQHK-HOCLYGCPSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412396 1071814723 /nfs/dbraw/zinc/81/47/23/1071814723.db2.gz PNMDWTZCPSOQHK-HOCLYGCPSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412397 1071814762 /nfs/dbraw/zinc/81/47/62/1071814762.db2.gz PNMDWTZCPSOQHK-ZBFHGGJFSA-N 1 2 443.522 -0.670 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514412397 1071814749 /nfs/dbraw/zinc/81/47/49/1071814749.db2.gz PNMDWTZCPSOQHK-ZBFHGGJFSA-N 1 2 443.522 -0.670 20 0 IBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000514422392 1071817089 /nfs/dbraw/zinc/81/70/89/1071817089.db2.gz KGJMFNHIICYRLU-KRWDZBQOSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000514422392 1071817082 /nfs/dbraw/zinc/81/70/82/1071817082.db2.gz KGJMFNHIICYRLU-KRWDZBQOSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000514422393 1071816759 /nfs/dbraw/zinc/81/67/59/1071816759.db2.gz KGJMFNHIICYRLU-QGZVFWFLSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000514422393 1071816747 /nfs/dbraw/zinc/81/67/47/1071816747.db2.gz KGJMFNHIICYRLU-QGZVFWFLSA-N 1 2 438.550 -0.076 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817958 /nfs/dbraw/zinc/81/79/58/1071817958.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817949 /nfs/dbraw/zinc/81/79/49/1071817949.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817942 /nfs/dbraw/zinc/81/79/42/1071817942.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817933 /nfs/dbraw/zinc/81/79/33/1071817933.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514427068 1071817754 /nfs/dbraw/zinc/81/77/54/1071817754.db2.gz BMZSYGHDUOAUFK-INIZCTEOSA-N 1 2 430.509 -0.990 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514427069 1071818172 /nfs/dbraw/zinc/81/81/72/1071818172.db2.gz BMZSYGHDUOAUFK-MRXNPFEDSA-N 1 2 430.509 -0.990 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3C(=O)CN(C)C3=O)cc2)CC1 ZINC000514430194 1071816212 /nfs/dbraw/zinc/81/62/12/1071816212.db2.gz LUOQKQGEIIHVFU-UHFFFAOYSA-N 1 2 445.520 -0.218 20 0 IBADLO COc1ncccc1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514432324 1071816250 /nfs/dbraw/zinc/81/62/50/1071816250.db2.gz IHNQFXVOZBXDCK-UHFFFAOYSA-N 1 2 426.543 -0.548 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)cnc2n(C)c1=O ZINC000514433273 1071820168 /nfs/dbraw/zinc/82/01/68/1071820168.db2.gz QSUWAVSQLWVWSP-INIZCTEOSA-N 1 2 444.492 -0.716 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)cnc2n(C)c1=O ZINC000514433274 1071820105 /nfs/dbraw/zinc/82/01/05/1071820105.db2.gz QSUWAVSQLWVWSP-MRXNPFEDSA-N 1 2 444.492 -0.716 20 0 IBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000514434903 1071820872 /nfs/dbraw/zinc/82/08/72/1071820872.db2.gz AXZQHPNYIMDOKK-UHFFFAOYSA-N 1 2 433.552 -0.558 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000514435848 1071821453 /nfs/dbraw/zinc/82/14/53/1071821453.db2.gz ALPLKVAAAMWINB-BRWVUGGUSA-N 1 2 430.571 -0.325 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000514435849 1071821350 /nfs/dbraw/zinc/82/13/50/1071821350.db2.gz ALPLKVAAAMWINB-IKGGRYGDSA-N 1 2 430.571 -0.325 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000514435850 1071821432 /nfs/dbraw/zinc/82/14/32/1071821432.db2.gz ALPLKVAAAMWINB-IXDOHACOSA-N 1 2 430.571 -0.325 20 0 IBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000514435852 1071821409 /nfs/dbraw/zinc/82/14/09/1071821409.db2.gz ALPLKVAAAMWINB-ZACQAIPSSA-N 1 2 430.571 -0.325 20 0 IBADLO NC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000514445327 1071819561 /nfs/dbraw/zinc/81/95/61/1071819561.db2.gz HVCJSQXHGJOUBZ-INIZCTEOSA-N 1 2 431.493 -0.589 20 0 IBADLO NC(=O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000514445328 1071819501 /nfs/dbraw/zinc/81/95/01/1071819501.db2.gz HVCJSQXHGJOUBZ-MRXNPFEDSA-N 1 2 431.493 -0.589 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[NH+]1CCOCC1 ZINC000514515506 1071827838 /nfs/dbraw/zinc/82/78/38/1071827838.db2.gz BZXQYVFDVXSVFO-KRWDZBQOSA-N 1 2 433.509 -0.297 20 0 IBADLO CS[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000514628584 1071836971 /nfs/dbraw/zinc/83/69/71/1071836971.db2.gz QECVDINGXMVKCW-HNNXBMFYSA-N 1 2 449.643 -0.483 20 0 IBADLO CS[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000514628585 1071836986 /nfs/dbraw/zinc/83/69/86/1071836986.db2.gz QECVDINGXMVKCW-OAHLLOKOSA-N 1 2 449.643 -0.483 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C)C1 ZINC000514629694 1071838009 /nfs/dbraw/zinc/83/80/09/1071838009.db2.gz WHKNIALUQWGINI-CVEARBPZSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C)C1 ZINC000514629694 1071838003 /nfs/dbraw/zinc/83/80/03/1071838003.db2.gz WHKNIALUQWGINI-CVEARBPZSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@@H](C)C1 ZINC000514629698 1071838132 /nfs/dbraw/zinc/83/81/32/1071838132.db2.gz WHKNIALUQWGINI-HOTGVXAUSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@@H](C)C1 ZINC000514629698 1071838128 /nfs/dbraw/zinc/83/81/28/1071838128.db2.gz WHKNIALUQWGINI-HOTGVXAUSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C)C1 ZINC000514629700 1071838157 /nfs/dbraw/zinc/83/81/57/1071838157.db2.gz WHKNIALUQWGINI-HZPDHXFCSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C)C1 ZINC000514629700 1071838153 /nfs/dbraw/zinc/83/81/53/1071838153.db2.gz WHKNIALUQWGINI-HZPDHXFCSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@@H](C)C1 ZINC000514629701 1071838074 /nfs/dbraw/zinc/83/80/74/1071838074.db2.gz WHKNIALUQWGINI-JKSUJKDBSA-N 1 2 448.524 -0.877 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@@H](C)C1 ZINC000514629701 1071838067 /nfs/dbraw/zinc/83/80/67/1071838067.db2.gz WHKNIALUQWGINI-JKSUJKDBSA-N 1 2 448.524 -0.877 20 0 IBADLO C[C@@H](CCc1ccco1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514661498 1071841195 /nfs/dbraw/zinc/84/11/95/1071841195.db2.gz DQXLKTMMAQFDBA-INIZCTEOSA-N 1 2 441.554 -0.647 20 0 IBADLO C[C@H](CCc1ccco1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514661499 1071841256 /nfs/dbraw/zinc/84/12/56/1071841256.db2.gz DQXLKTMMAQFDBA-MRXNPFEDSA-N 1 2 441.554 -0.647 20 0 IBADLO Cc1onc(N)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514731774 1071848155 /nfs/dbraw/zinc/84/81/55/1071848155.db2.gz ZQNGFTYUPYXPCI-UHFFFAOYSA-N 1 2 430.512 -0.609 20 0 IBADLO C[C@@H]1C[NH+](CCOC2CCN([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764884 1071853315 /nfs/dbraw/zinc/85/33/15/1071853315.db2.gz NDTHNBMZPKBPJV-LMMKCTJWSA-N 1 2 427.542 -0.287 20 0 IBADLO C[C@@H]1C[N@H+](CCOC2CCN([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764885 1071853022 /nfs/dbraw/zinc/85/30/22/1071853022.db2.gz NDTHNBMZPKBPJV-SCTDSRPQSA-N 1 2 427.542 -0.287 20 0 IBADLO C[C@@H]1C[N@@H+](CCOC2CCN([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764885 1071853015 /nfs/dbraw/zinc/85/30/15/1071853015.db2.gz NDTHNBMZPKBPJV-SCTDSRPQSA-N 1 2 427.542 -0.287 20 0 IBADLO C[C@@H]1C[NH+](CCOC2CCN([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764886 1071853364 /nfs/dbraw/zinc/85/33/64/1071853364.db2.gz NDTHNBMZPKBPJV-ZHALLVOQSA-N 1 2 427.542 -0.287 20 0 IBADLO C[C@@H]1C[N@H+](CCOC2CCN([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764887 1071853249 /nfs/dbraw/zinc/85/32/49/1071853249.db2.gz NDTHNBMZPKBPJV-ZIFCJYIRSA-N 1 2 427.542 -0.287 20 0 IBADLO C[C@@H]1C[N@@H+](CCOC2CCN([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764887 1071853238 /nfs/dbraw/zinc/85/32/38/1071853238.db2.gz NDTHNBMZPKBPJV-ZIFCJYIRSA-N 1 2 427.542 -0.287 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)[C@@H](C)C1 ZINC000514818498 1071859276 /nfs/dbraw/zinc/85/92/76/1071859276.db2.gz KOHVINPCNNXUKC-DLBZAZTESA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)[C@@H](C)C1 ZINC000514818498 1071859262 /nfs/dbraw/zinc/85/92/62/1071859262.db2.gz KOHVINPCNNXUKC-DLBZAZTESA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)[C@H](C)C1 ZINC000514818499 1071859331 /nfs/dbraw/zinc/85/93/31/1071859331.db2.gz KOHVINPCNNXUKC-IAGOWNOFSA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)[C@H](C)C1 ZINC000514818499 1071859319 /nfs/dbraw/zinc/85/93/19/1071859319.db2.gz KOHVINPCNNXUKC-IAGOWNOFSA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)[C@@H](C)C1 ZINC000514818500 1071859200 /nfs/dbraw/zinc/85/92/00/1071859200.db2.gz KOHVINPCNNXUKC-IRXDYDNUSA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)[C@@H](C)C1 ZINC000514818500 1071859182 /nfs/dbraw/zinc/85/91/82/1071859182.db2.gz KOHVINPCNNXUKC-IRXDYDNUSA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)[C@H](C)C1 ZINC000514818501 1071859005 /nfs/dbraw/zinc/85/90/05/1071859005.db2.gz KOHVINPCNNXUKC-SJORKVTESA-N 1 2 434.541 -0.091 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)[C@H](C)C1 ZINC000514818501 1071858992 /nfs/dbraw/zinc/85/89/92/1071858992.db2.gz KOHVINPCNNXUKC-SJORKVTESA-N 1 2 434.541 -0.091 20 0 IBADLO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827850 1071857668 /nfs/dbraw/zinc/85/76/68/1071857668.db2.gz SHQXSESDNDCGTG-IBGZPJMESA-N 1 2 430.553 -0.370 20 0 IBADLO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827851 1071857828 /nfs/dbraw/zinc/85/78/28/1071857828.db2.gz SHQXSESDNDCGTG-LJQANCHMSA-N 1 2 430.553 -0.370 20 0 IBADLO O=C(NCc1ccc(O)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514867324 1071863342 /nfs/dbraw/zinc/86/33/42/1071863342.db2.gz HYOCNNWZSNJSHF-UHFFFAOYSA-N 1 2 426.477 -0.016 20 0 IBADLO O=C(NCc1ccc(O)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514867324 1071863325 /nfs/dbraw/zinc/86/33/25/1071863325.db2.gz HYOCNNWZSNJSHF-UHFFFAOYSA-N 1 2 426.477 -0.016 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000514963377 1071867104 /nfs/dbraw/zinc/86/71/04/1071867104.db2.gz KAZSXHLQJFGMSP-IKGGRYGDSA-N 1 2 432.525 -0.290 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000514963378 1071867151 /nfs/dbraw/zinc/86/71/51/1071867151.db2.gz KAZSXHLQJFGMSP-IXDOHACOSA-N 1 2 432.525 -0.290 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000514963379 1071867159 /nfs/dbraw/zinc/86/71/59/1071867159.db2.gz KAZSXHLQJFGMSP-ULQDDVLXSA-N 1 2 432.525 -0.290 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000514963380 1071866875 /nfs/dbraw/zinc/86/68/75/1071866875.db2.gz KAZSXHLQJFGMSP-YESZJQIVSA-N 1 2 432.525 -0.290 20 0 IBADLO O=C(N[C@@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514972447 1071868489 /nfs/dbraw/zinc/86/84/89/1071868489.db2.gz OAZZDEOWJWLZNQ-DLBZAZTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514972447 1071868481 /nfs/dbraw/zinc/86/84/81/1071868481.db2.gz OAZZDEOWJWLZNQ-DLBZAZTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCC[C@@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514972449 1071868387 /nfs/dbraw/zinc/86/83/87/1071868387.db2.gz OAZZDEOWJWLZNQ-IAGOWNOFSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCC[C@@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514972449 1071868374 /nfs/dbraw/zinc/86/83/74/1071868374.db2.gz OAZZDEOWJWLZNQ-IAGOWNOFSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514972450 1071868227 /nfs/dbraw/zinc/86/82/27/1071868227.db2.gz OAZZDEOWJWLZNQ-IRXDYDNUSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514972450 1071868207 /nfs/dbraw/zinc/86/82/07/1071868207.db2.gz OAZZDEOWJWLZNQ-IRXDYDNUSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCC[C@@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514972451 1071868314 /nfs/dbraw/zinc/86/83/14/1071868314.db2.gz OAZZDEOWJWLZNQ-SJORKVTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCC[C@@H]1CCO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514972451 1071868302 /nfs/dbraw/zinc/86/83/02/1071868302.db2.gz OAZZDEOWJWLZNQ-SJORKVTESA-N 1 2 432.525 -0.371 20 0 IBADLO COC[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515078140 1071873229 /nfs/dbraw/zinc/87/32/29/1071873229.db2.gz WUYCGVPNVNDEKA-INIZCTEOSA-N 1 2 439.538 -0.856 20 0 IBADLO COC[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000515078141 1071873293 /nfs/dbraw/zinc/87/32/93/1071873293.db2.gz WUYCGVPNVNDEKA-MRXNPFEDSA-N 1 2 439.538 -0.856 20 0 IBADLO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000515080397 1071873804 /nfs/dbraw/zinc/87/38/04/1071873804.db2.gz NLWVIZKKYBEXEA-UHFFFAOYSA-N 1 2 432.568 -0.136 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000515087709 1071874536 /nfs/dbraw/zinc/87/45/36/1071874536.db2.gz MLYZDSOAHFQHFZ-DOTOQJQBSA-N 1 2 431.493 -0.011 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000515087711 1071874815 /nfs/dbraw/zinc/87/48/15/1071874815.db2.gz MLYZDSOAHFQHFZ-NVXWUHKLSA-N 1 2 431.493 -0.011 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000515087713 1071874782 /nfs/dbraw/zinc/87/47/82/1071874782.db2.gz MLYZDSOAHFQHFZ-RDJZCZTQSA-N 1 2 431.493 -0.011 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000515087714 1071874470 /nfs/dbraw/zinc/87/44/70/1071874470.db2.gz MLYZDSOAHFQHFZ-WBVHZDCISA-N 1 2 431.493 -0.011 20 0 IBADLO CCOc1ccncc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515092105 1071875326 /nfs/dbraw/zinc/87/53/26/1071875326.db2.gz XSHOSDKNMMMFHJ-UHFFFAOYSA-N 1 2 433.556 -0.721 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000515092647 1071876836 /nfs/dbraw/zinc/87/68/36/1071876836.db2.gz ZOSCJSVOVWZYPA-HNNXBMFYSA-N 1 2 447.517 -0.144 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000515092648 1071876670 /nfs/dbraw/zinc/87/66/70/1071876670.db2.gz ZOSCJSVOVWZYPA-OAHLLOKOSA-N 1 2 447.517 -0.144 20 0 IBADLO COCC[C@@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000515101117 1071876800 /nfs/dbraw/zinc/87/68/00/1071876800.db2.gz RXGYPPMIKOIUES-INIZCTEOSA-N 1 2 429.543 -0.116 20 0 IBADLO COCC[C@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000515101119 1071876764 /nfs/dbraw/zinc/87/67/64/1071876764.db2.gz RXGYPPMIKOIUES-MRXNPFEDSA-N 1 2 429.543 -0.116 20 0 IBADLO C[C@@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515115525 1071876637 /nfs/dbraw/zinc/87/66/37/1071876637.db2.gz AVBJHJVSBZKPJG-INIZCTEOSA-N 1 2 429.612 -0.095 20 0 IBADLO C[C@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515115526 1071876616 /nfs/dbraw/zinc/87/66/16/1071876616.db2.gz AVBJHJVSBZKPJG-MRXNPFEDSA-N 1 2 429.612 -0.095 20 0 IBADLO COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515208098 1071880169 /nfs/dbraw/zinc/88/01/69/1071880169.db2.gz UMMQULZRTFVTFX-UHFFFAOYSA-N 1 2 432.568 -0.198 20 0 IBADLO COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000515260516 1071882667 /nfs/dbraw/zinc/88/26/67/1071882667.db2.gz ROYZADODXPVABF-HNNXBMFYSA-N 1 2 440.522 -0.861 20 0 IBADLO COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000515260519 1071882456 /nfs/dbraw/zinc/88/24/56/1071882456.db2.gz ROYZADODXPVABF-OAHLLOKOSA-N 1 2 440.522 -0.861 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000515286887 1071884047 /nfs/dbraw/zinc/88/40/47/1071884047.db2.gz RMNSGRMAYRASKB-GOSISDBHSA-N 1 2 426.477 -0.147 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000515286888 1071884081 /nfs/dbraw/zinc/88/40/81/1071884081.db2.gz RMNSGRMAYRASKB-SFHVURJKSA-N 1 2 426.477 -0.147 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000515293027 1071884791 /nfs/dbraw/zinc/88/47/91/1071884791.db2.gz YVGWHUJSQIVIMA-CALCHBBNSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000515293028 1071884847 /nfs/dbraw/zinc/88/48/47/1071884847.db2.gz YVGWHUJSQIVIMA-IAGOWNOFSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000515293029 1071885413 /nfs/dbraw/zinc/88/54/13/1071885413.db2.gz YVGWHUJSQIVIMA-IRXDYDNUSA-N 1 2 447.602 -0.222 20 0 IBADLO CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000515321191 1071887222 /nfs/dbraw/zinc/88/72/22/1071887222.db2.gz BIZIOUYUSNAVHP-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000515321191 1071887212 /nfs/dbraw/zinc/88/72/12/1071887212.db2.gz BIZIOUYUSNAVHP-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000515321192 1071887188 /nfs/dbraw/zinc/88/71/88/1071887188.db2.gz BIZIOUYUSNAVHP-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000515321192 1071887184 /nfs/dbraw/zinc/88/71/84/1071887184.db2.gz BIZIOUYUSNAVHP-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000515321193 1071887448 /nfs/dbraw/zinc/88/74/48/1071887448.db2.gz BIZIOUYUSNAVHP-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000515321193 1071887441 /nfs/dbraw/zinc/88/74/41/1071887441.db2.gz BIZIOUYUSNAVHP-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000515321194 1071887272 /nfs/dbraw/zinc/88/72/72/1071887272.db2.gz BIZIOUYUSNAVHP-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000515321194 1071887262 /nfs/dbraw/zinc/88/72/62/1071887262.db2.gz BIZIOUYUSNAVHP-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000515326435 1071886052 /nfs/dbraw/zinc/88/60/52/1071886052.db2.gz DFYJIMFKGGEBGZ-MSOLQXFVSA-N 1 2 438.550 -0.609 20 0 IBADLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000515326436 1071886118 /nfs/dbraw/zinc/88/61/18/1071886118.db2.gz DFYJIMFKGGEBGZ-QZTJIDSGSA-N 1 2 438.550 -0.609 20 0 IBADLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000515326437 1071886625 /nfs/dbraw/zinc/88/66/25/1071886625.db2.gz DFYJIMFKGGEBGZ-ROUUACIJSA-N 1 2 438.550 -0.609 20 0 IBADLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000515326438 1071886613 /nfs/dbraw/zinc/88/66/13/1071886613.db2.gz DFYJIMFKGGEBGZ-ZWKOTPCHSA-N 1 2 438.550 -0.609 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000515374802 1071889235 /nfs/dbraw/zinc/88/92/35/1071889235.db2.gz OCHDSGCHTCQOOW-UHFFFAOYSA-N 1 2 442.567 -0.138 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@H]3CO)cc2)CC1 ZINC000515490916 1071893717 /nfs/dbraw/zinc/89/37/17/1071893717.db2.gz URZIWONCNCPKJR-FQEVSTJZSA-N 1 2 446.548 -0.129 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000515502775 1071894294 /nfs/dbraw/zinc/89/42/94/1071894294.db2.gz IUMGHOKVJPQEGS-UHFFFAOYSA-N 1 2 430.509 -0.352 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000515502775 1071894291 /nfs/dbraw/zinc/89/42/91/1071894291.db2.gz IUMGHOKVJPQEGS-UHFFFAOYSA-N 1 2 430.509 -0.352 20 0 IBADLO Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000515547084 1071895860 /nfs/dbraw/zinc/89/58/60/1071895860.db2.gz JWHFKIDWKLAGED-UHFFFAOYSA-N 1 2 427.546 -0.140 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000515548123 1071896326 /nfs/dbraw/zinc/89/63/26/1071896326.db2.gz JOYVYEQTJRMZSL-UHFFFAOYSA-N 1 2 435.550 -0.218 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515548352 1071895610 /nfs/dbraw/zinc/89/56/10/1071895610.db2.gz RMSNZBFUXXVLQM-KRWDZBQOSA-N 1 2 441.573 -0.017 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515548353 1071895825 /nfs/dbraw/zinc/89/58/25/1071895825.db2.gz RMSNZBFUXXVLQM-QGZVFWFLSA-N 1 2 441.573 -0.017 20 0 IBADLO COc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000515548376 1071895953 /nfs/dbraw/zinc/89/59/53/1071895953.db2.gz UOEPEVCELKOYTK-UHFFFAOYSA-N 1 2 439.582 -0.237 20 0 IBADLO COc1cccc(COC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000515549553 1071896449 /nfs/dbraw/zinc/89/64/49/1071896449.db2.gz ZDUQMXCABMNNGY-IBGZPJMESA-N 1 2 442.582 -0.318 20 0 IBADLO COc1cccc(COC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000515549554 1071896367 /nfs/dbraw/zinc/89/63/67/1071896367.db2.gz ZDUQMXCABMNNGY-LJQANCHMSA-N 1 2 442.582 -0.318 20 0 IBADLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515549677 1071896688 /nfs/dbraw/zinc/89/66/88/1071896688.db2.gz OUYKJMGYQVLCNE-DLBZAZTESA-N 1 2 444.602 -0.499 20 0 IBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515549678 1071896287 /nfs/dbraw/zinc/89/62/87/1071896287.db2.gz OUYKJMGYQVLCNE-IAGOWNOFSA-N 1 2 444.602 -0.499 20 0 IBADLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515549679 1071896549 /nfs/dbraw/zinc/89/65/49/1071896549.db2.gz OUYKJMGYQVLCNE-IRXDYDNUSA-N 1 2 444.602 -0.499 20 0 IBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515549680 1071896665 /nfs/dbraw/zinc/89/66/65/1071896665.db2.gz OUYKJMGYQVLCNE-SJORKVTESA-N 1 2 444.602 -0.499 20 0 IBADLO CCC[N@@H+](CC(=O)NC)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000515565562 1071897087 /nfs/dbraw/zinc/89/70/87/1071897087.db2.gz OMBFBIOQIOBIOB-UHFFFAOYSA-N 1 2 426.539 -0.218 20 0 IBADLO CCC[N@H+](CC(=O)NC)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000515565562 1071897080 /nfs/dbraw/zinc/89/70/80/1071897080.db2.gz OMBFBIOQIOBIOB-UHFFFAOYSA-N 1 2 426.539 -0.218 20 0 IBADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000515745155 1071905082 /nfs/dbraw/zinc/90/50/82/1071905082.db2.gz XHHNUNBLBBZNKS-UHFFFAOYSA-N 1 2 426.539 -0.014 20 0 IBADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000515745155 1071905069 /nfs/dbraw/zinc/90/50/69/1071905069.db2.gz XHHNUNBLBBZNKS-UHFFFAOYSA-N 1 2 426.539 -0.014 20 0 IBADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nnn1-c1ccccc1 ZINC000515776446 1071906231 /nfs/dbraw/zinc/90/62/31/1071906231.db2.gz HRCKSHPRWCRKLC-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515776808 1071906401 /nfs/dbraw/zinc/90/64/01/1071906401.db2.gz TVZTWXLLOBZTTR-KRWDZBQOSA-N 1 2 429.587 -0.340 20 0 IBADLO CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515776809 1071906459 /nfs/dbraw/zinc/90/64/59/1071906459.db2.gz TVZTWXLLOBZTTR-QGZVFWFLSA-N 1 2 429.587 -0.340 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000515812322 1071907502 /nfs/dbraw/zinc/90/75/02/1071907502.db2.gz XXFOOHPYKFSZHL-CYBMUJFWSA-N 1 2 434.478 -0.853 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000515812323 1071907620 /nfs/dbraw/zinc/90/76/20/1071907620.db2.gz XXFOOHPYKFSZHL-ZDUSSCGKSA-N 1 2 434.478 -0.853 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000515824083 1071908691 /nfs/dbraw/zinc/90/86/91/1071908691.db2.gz GFNSNSPSVHVDDP-UHFFFAOYSA-N 1 2 448.549 -0.047 20 0 IBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000515825805 1071908635 /nfs/dbraw/zinc/90/86/35/1071908635.db2.gz YINDKDKDNCIYDO-UHFFFAOYSA-N 1 2 438.286 -0.560 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000515881193 1071911871 /nfs/dbraw/zinc/91/18/71/1071911871.db2.gz IAGDHULZDKGCLQ-HNNXBMFYSA-N 1 2 432.481 -0.956 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000515881194 1071912330 /nfs/dbraw/zinc/91/23/30/1071912330.db2.gz IAGDHULZDKGCLQ-OAHLLOKOSA-N 1 2 432.481 -0.956 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCOCC1 ZINC000515882261 1071912555 /nfs/dbraw/zinc/91/25/55/1071912555.db2.gz YCPAONDJXMCRBK-KRWDZBQOSA-N 1 2 432.525 -0.181 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCOCC1 ZINC000515882262 1071912504 /nfs/dbraw/zinc/91/25/04/1071912504.db2.gz YCPAONDJXMCRBK-QGZVFWFLSA-N 1 2 432.525 -0.181 20 0 IBADLO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000515895929 1071911710 /nfs/dbraw/zinc/91/17/10/1071911710.db2.gz BQCXJKFKYOQIPS-UHFFFAOYSA-N 1 2 431.537 -0.174 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000515900078 1071912366 /nfs/dbraw/zinc/91/23/66/1071912366.db2.gz HMBUOEQRIGMEFP-UHFFFAOYSA-N 1 2 434.478 -0.851 20 0 IBADLO O=C(CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1)N1CCCCC1 ZINC000515907703 1071913254 /nfs/dbraw/zinc/91/32/54/1071913254.db2.gz SNYSEALOZZVECA-UHFFFAOYSA-N 1 2 444.584 -0.062 20 0 IBADLO Cc1ccn2cc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc2c1 ZINC000515917178 1071913614 /nfs/dbraw/zinc/91/36/14/1071913614.db2.gz TYFVVNUOJMXYNM-UHFFFAOYSA-N 1 2 435.554 -0.038 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000515948177 1071915903 /nfs/dbraw/zinc/91/59/03/1071915903.db2.gz RNGZPRYLABKRPT-UHFFFAOYSA-N 1 2 439.538 -0.656 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000515949192 1071914818 /nfs/dbraw/zinc/91/48/18/1071914818.db2.gz DTGFMNHEBVVLBW-UHFFFAOYSA-N 1 2 428.486 -0.051 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000515976325 1071917490 /nfs/dbraw/zinc/91/74/90/1071917490.db2.gz XNIXWTSFDYMYBL-UHFFFAOYSA-N 1 2 426.495 -0.571 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000516025040 1071920312 /nfs/dbraw/zinc/92/03/12/1071920312.db2.gz BGGSSDDYUZWLAJ-UHFFFAOYSA-N 1 2 438.448 -0.485 20 0 IBADLO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000516027299 1071919104 /nfs/dbraw/zinc/91/91/04/1071919104.db2.gz CCYFFPXOUMJESZ-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1)N1CCCC1 ZINC000516028527 1071919133 /nfs/dbraw/zinc/91/91/33/1071919133.db2.gz URUMEXQQSNGSEM-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1)N1CCCC1 ZINC000516028527 1071919131 /nfs/dbraw/zinc/91/91/31/1071919131.db2.gz URUMEXQQSNGSEM-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000516028851 1071918973 /nfs/dbraw/zinc/91/89/73/1071918973.db2.gz MHWYYIHFOMZJSG-UHFFFAOYSA-N 1 2 437.522 -0.420 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000516028851 1071918962 /nfs/dbraw/zinc/91/89/62/1071918962.db2.gz MHWYYIHFOMZJSG-UHFFFAOYSA-N 1 2 437.522 -0.420 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1-n1cnnn1 ZINC000516029084 1071919160 /nfs/dbraw/zinc/91/91/60/1071919160.db2.gz YANMTOWVBPZXDB-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000516044302 1071920860 /nfs/dbraw/zinc/92/08/60/1071920860.db2.gz FWBYDCQEUXIXIL-UHFFFAOYSA-N 1 2 425.511 -0.730 20 0 IBADLO CSc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000516049684 1071922061 /nfs/dbraw/zinc/92/20/61/1071922061.db2.gz RAZHGPKVPCQMJW-UHFFFAOYSA-N 1 2 441.579 -0.017 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000516053642 1071922651 /nfs/dbraw/zinc/92/26/51/1071922651.db2.gz JKCLSZOZGBHBGV-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO COCc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000516055252 1071922538 /nfs/dbraw/zinc/92/25/38/1071922538.db2.gz ROHHODJGVUJENC-UHFFFAOYSA-N 1 2 439.538 -0.592 20 0 IBADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000516098459 1071924315 /nfs/dbraw/zinc/92/43/15/1071924315.db2.gz MYVQWZGAUIPCMD-UHFFFAOYSA-N 1 2 436.476 -0.312 20 0 IBADLO Cc1ccnc2nc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)nn21 ZINC000516100134 1071923869 /nfs/dbraw/zinc/92/38/69/1071923869.db2.gz UOODWPFPBLTEQP-UHFFFAOYSA-N 1 2 430.494 -0.290 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000516108045 1071923709 /nfs/dbraw/zinc/92/37/09/1071923709.db2.gz RLTRDVKGJJLOCR-CYBMUJFWSA-N 1 2 434.415 -0.253 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000516108046 1071923768 /nfs/dbraw/zinc/92/37/68/1071923768.db2.gz RLTRDVKGJJLOCR-ZDUSSCGKSA-N 1 2 434.415 -0.253 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)[C@@H](C)C1 ZINC000516142575 1071926382 /nfs/dbraw/zinc/92/63/82/1071926382.db2.gz ZBTFIYQGHCSWHE-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)[C@@H](C)C1 ZINC000516142575 1071926378 /nfs/dbraw/zinc/92/63/78/1071926378.db2.gz ZBTFIYQGHCSWHE-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)[C@H](C)C1 ZINC000516142576 1071926157 /nfs/dbraw/zinc/92/61/57/1071926157.db2.gz ZBTFIYQGHCSWHE-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)[C@H](C)C1 ZINC000516142576 1071926149 /nfs/dbraw/zinc/92/61/49/1071926149.db2.gz ZBTFIYQGHCSWHE-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO O=C(NCCOCC1CC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000516168933 1071926781 /nfs/dbraw/zinc/92/67/81/1071926781.db2.gz PCRYJAQOHIKWJT-UHFFFAOYSA-N 1 2 439.538 -0.808 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000516199804 1071927451 /nfs/dbraw/zinc/92/74/51/1071927451.db2.gz UOHBLCYPXJNYQA-UHFFFAOYSA-N 1 2 445.484 -0.777 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000516199804 1071927442 /nfs/dbraw/zinc/92/74/42/1071927442.db2.gz UOHBLCYPXJNYQA-UHFFFAOYSA-N 1 2 445.484 -0.777 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000516209061 1071928895 /nfs/dbraw/zinc/92/88/95/1071928895.db2.gz VKDSQSUTESVULP-CHWSQXEVSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000516209061 1071928889 /nfs/dbraw/zinc/92/88/89/1071928889.db2.gz VKDSQSUTESVULP-CHWSQXEVSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000516209062 1071928663 /nfs/dbraw/zinc/92/86/63/1071928663.db2.gz VKDSQSUTESVULP-OLZOCXBDSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000516209062 1071928659 /nfs/dbraw/zinc/92/86/59/1071928659.db2.gz VKDSQSUTESVULP-OLZOCXBDSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000516209063 1071928684 /nfs/dbraw/zinc/92/86/84/1071928684.db2.gz VKDSQSUTESVULP-QWHCGFSZSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000516209063 1071928681 /nfs/dbraw/zinc/92/86/81/1071928681.db2.gz VKDSQSUTESVULP-QWHCGFSZSA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000516209064 1071928811 /nfs/dbraw/zinc/92/88/11/1071928811.db2.gz VKDSQSUTESVULP-STQMWFEESA-N 1 2 436.431 -0.248 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000516209064 1071928806 /nfs/dbraw/zinc/92/88/06/1071928806.db2.gz VKDSQSUTESVULP-STQMWFEESA-N 1 2 436.431 -0.248 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000516293869 1071931074 /nfs/dbraw/zinc/93/10/74/1071931074.db2.gz METURXUPGSFTHK-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000516420637 1071938457 /nfs/dbraw/zinc/93/84/57/1071938457.db2.gz UJFISVKGMDNDTB-UHFFFAOYSA-N 1 2 433.509 -0.108 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000516420637 1071938451 /nfs/dbraw/zinc/93/84/51/1071938451.db2.gz UJFISVKGMDNDTB-UHFFFAOYSA-N 1 2 433.509 -0.108 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1)N1CCCC1 ZINC000516420761 1071937791 /nfs/dbraw/zinc/93/77/91/1071937791.db2.gz LGRFMIYVDKNUCM-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1)N1CCCC1 ZINC000516420761 1071937782 /nfs/dbraw/zinc/93/77/82/1071937782.db2.gz LGRFMIYVDKNUCM-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000516420798 1071937828 /nfs/dbraw/zinc/93/78/28/1071937828.db2.gz MTMYDLGRWHKSPD-UHFFFAOYSA-N 1 2 433.509 -0.108 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000516420798 1071937822 /nfs/dbraw/zinc/93/78/22/1071937822.db2.gz MTMYDLGRWHKSPD-UHFFFAOYSA-N 1 2 433.509 -0.108 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000516420878 1071937932 /nfs/dbraw/zinc/93/79/32/1071937932.db2.gz NOHCMTPOHNXMFH-UHFFFAOYSA-N 1 2 433.436 -0.374 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000516421821 1071938487 /nfs/dbraw/zinc/93/84/87/1071938487.db2.gz XCHCKTOXIJMYQV-UHFFFAOYSA-N 1 2 438.448 -0.485 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000516422547 1071938376 /nfs/dbraw/zinc/93/83/76/1071938376.db2.gz DTIKTLMKWPECPB-UHFFFAOYSA-N 1 2 439.538 -0.174 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000516422547 1071938369 /nfs/dbraw/zinc/93/83/69/1071938369.db2.gz DTIKTLMKWPECPB-UHFFFAOYSA-N 1 2 439.538 -0.174 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000516424048 1071938307 /nfs/dbraw/zinc/93/83/07/1071938307.db2.gz NTZZBVDDSYVZDG-UHFFFAOYSA-N 1 2 444.477 -0.551 20 0 IBADLO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000516424362 1071938334 /nfs/dbraw/zinc/93/83/34/1071938334.db2.gz CBXCWPHIYDBPNK-UHFFFAOYSA-N 1 2 431.493 -0.354 20 0 IBADLO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000516424362 1071938324 /nfs/dbraw/zinc/93/83/24/1071938324.db2.gz CBXCWPHIYDBPNK-UHFFFAOYSA-N 1 2 431.493 -0.354 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1-n1cnnn1 ZINC000516426523 1071937341 /nfs/dbraw/zinc/93/73/41/1071937341.db2.gz ZUPPALVXRLTVJS-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCCO1 ZINC000516435528 1071940356 /nfs/dbraw/zinc/94/03/56/1071940356.db2.gz KYAGAISWNDFORI-INIZCTEOSA-N 1 2 439.538 -0.665 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCCO1 ZINC000516435529 1071940301 /nfs/dbraw/zinc/94/03/01/1071940301.db2.gz KYAGAISWNDFORI-MRXNPFEDSA-N 1 2 439.538 -0.665 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000516444612 1071939929 /nfs/dbraw/zinc/93/99/29/1071939929.db2.gz HSEGMNBUTFISKN-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000516447549 1071940489 /nfs/dbraw/zinc/94/04/89/1071940489.db2.gz IFUZGKJVBVPYEZ-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO CSc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000516447608 1071940472 /nfs/dbraw/zinc/94/04/72/1071940472.db2.gz KJLUGFPGSXSAHQ-UHFFFAOYSA-N 1 2 441.579 -0.017 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000516497669 1071942680 /nfs/dbraw/zinc/94/26/80/1071942680.db2.gz WHCBKQIDHPNYLS-UHFFFAOYSA-N 1 2 448.543 -0.528 20 0 IBADLO CCCNC(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000516551701 1071944402 /nfs/dbraw/zinc/94/44/02/1071944402.db2.gz PMUDSASUGUCPSW-UHFFFAOYSA-N 1 2 426.543 -0.251 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000516671817 1071950630 /nfs/dbraw/zinc/95/06/30/1071950630.db2.gz OZMTWAJDIIAAMZ-INIZCTEOSA-N 1 2 425.493 -0.367 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000516671818 1071950683 /nfs/dbraw/zinc/95/06/83/1071950683.db2.gz OZMTWAJDIIAAMZ-MRXNPFEDSA-N 1 2 425.493 -0.367 20 0 IBADLO CCn1cc(N2C(=O)C[C@H](N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2=O)cn1 ZINC000516685592 1071951882 /nfs/dbraw/zinc/95/18/82/1071951882.db2.gz BXMCLHVEEPAOFR-KRWDZBQOSA-N 1 2 440.508 -0.016 20 0 IBADLO CCn1cc(N2C(=O)C[C@@H](N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2=O)cn1 ZINC000516685593 1071951970 /nfs/dbraw/zinc/95/19/70/1071951970.db2.gz BXMCLHVEEPAOFR-QGZVFWFLSA-N 1 2 440.508 -0.016 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000516735350 1071954227 /nfs/dbraw/zinc/95/42/27/1071954227.db2.gz DNNHXXAKINAESH-UHFFFAOYSA-N 1 2 430.553 -0.347 20 0 IBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)c2)CC1 ZINC000516737911 1071954333 /nfs/dbraw/zinc/95/43/33/1071954333.db2.gz RMBHMKYYFJHDNX-UHFFFAOYSA-N 1 2 434.522 -0.036 20 0 IBADLO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000516744925 1071955294 /nfs/dbraw/zinc/95/52/94/1071955294.db2.gz TWSCVSBUCXESKE-UHFFFAOYSA-N 1 2 430.553 -0.347 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000516748344 1071955410 /nfs/dbraw/zinc/95/54/10/1071955410.db2.gz FAEVONIDAGMROJ-UHFFFAOYSA-N 1 2 437.566 -0.087 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)c2)CC1 ZINC000516749157 1071954862 /nfs/dbraw/zinc/95/48/62/1071954862.db2.gz RIHCWTFTFWNEKI-UHFFFAOYSA-N 1 2 442.564 -0.205 20 0 IBADLO COC(=O)c1cn(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)nn1 ZINC000516794068 1071958775 /nfs/dbraw/zinc/95/87/75/1071958775.db2.gz QYCGFFAWOGYCRJ-UHFFFAOYSA-N 1 2 429.481 -0.433 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000516872003 1071964124 /nfs/dbraw/zinc/96/41/24/1071964124.db2.gz LZVDBOXWNLGSNX-INIZCTEOSA-N 1 2 448.549 -0.360 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000516872004 1071964142 /nfs/dbraw/zinc/96/41/42/1071964142.db2.gz LZVDBOXWNLGSNX-MRXNPFEDSA-N 1 2 448.549 -0.360 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000516874340 1071964188 /nfs/dbraw/zinc/96/41/88/1071964188.db2.gz ZJTCPIJMTYOWDN-UHFFFAOYSA-N 1 2 432.568 -0.368 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000516932789 1071966826 /nfs/dbraw/zinc/96/68/26/1071966826.db2.gz CNDAFAIAGDURIL-UHFFFAOYSA-N 1 2 438.488 -0.078 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000517018028 1071970605 /nfs/dbraw/zinc/97/06/05/1071970605.db2.gz CHIKIMYDXLKAHI-PBHICJAKSA-N 1 2 426.539 -0.016 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000517018029 1071970470 /nfs/dbraw/zinc/97/04/70/1071970470.db2.gz CHIKIMYDXLKAHI-RHSMWYFYSA-N 1 2 426.539 -0.016 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000517018030 1071970497 /nfs/dbraw/zinc/97/04/97/1071970497.db2.gz CHIKIMYDXLKAHI-WMLDXEAASA-N 1 2 426.539 -0.016 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000517018031 1071970625 /nfs/dbraw/zinc/97/06/25/1071970625.db2.gz CHIKIMYDXLKAHI-YOEHRIQHSA-N 1 2 426.539 -0.016 20 0 IBADLO NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517082297 1071972980 /nfs/dbraw/zinc/97/29/80/1071972980.db2.gz XJAHKTMGEOVRNX-INIZCTEOSA-N 1 2 431.493 -0.589 20 0 IBADLO NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517082318 1071972883 /nfs/dbraw/zinc/97/28/83/1071972883.db2.gz XJAHKTMGEOVRNX-MRXNPFEDSA-N 1 2 431.493 -0.589 20 0 IBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000517089855 1071973403 /nfs/dbraw/zinc/97/34/03/1071973403.db2.gz GVINCHCRDJSZKZ-HNNXBMFYSA-N 1 2 440.522 -0.196 20 0 IBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000517089855 1071973397 /nfs/dbraw/zinc/97/33/97/1071973397.db2.gz GVINCHCRDJSZKZ-HNNXBMFYSA-N 1 2 440.522 -0.196 20 0 IBADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000517089857 1071973389 /nfs/dbraw/zinc/97/33/89/1071973389.db2.gz GVINCHCRDJSZKZ-OAHLLOKOSA-N 1 2 440.522 -0.196 20 0 IBADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000517089857 1071973384 /nfs/dbraw/zinc/97/33/84/1071973384.db2.gz GVINCHCRDJSZKZ-OAHLLOKOSA-N 1 2 440.522 -0.196 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000517092858 1071973501 /nfs/dbraw/zinc/97/35/01/1071973501.db2.gz DVPZWNFQOMSXLY-HNNXBMFYSA-N 1 2 429.495 -0.650 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000517154783 1071976971 /nfs/dbraw/zinc/97/69/71/1071976971.db2.gz VRMUAINZEISQEU-UHFFFAOYSA-N 1 2 426.412 -0.111 20 0 IBADLO NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000517156880 1071978105 /nfs/dbraw/zinc/97/81/05/1071978105.db2.gz PVMLRCRRIGCGIS-UHFFFAOYSA-N 1 2 431.493 -0.354 20 0 IBADLO NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000517156880 1071978099 /nfs/dbraw/zinc/97/80/99/1071978099.db2.gz PVMLRCRRIGCGIS-UHFFFAOYSA-N 1 2 431.493 -0.354 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517183728 1071979405 /nfs/dbraw/zinc/97/94/05/1071979405.db2.gz ACAMJGYPZVPQSJ-DLBZAZTESA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517183728 1071979399 /nfs/dbraw/zinc/97/93/99/1071979399.db2.gz ACAMJGYPZVPQSJ-DLBZAZTESA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517183734 1071979333 /nfs/dbraw/zinc/97/93/33/1071979333.db2.gz ACAMJGYPZVPQSJ-IAGOWNOFSA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517183734 1071979323 /nfs/dbraw/zinc/97/93/23/1071979323.db2.gz ACAMJGYPZVPQSJ-IAGOWNOFSA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517183735 1071979306 /nfs/dbraw/zinc/97/93/06/1071979306.db2.gz ACAMJGYPZVPQSJ-IRXDYDNUSA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517183735 1071979297 /nfs/dbraw/zinc/97/92/97/1071979297.db2.gz ACAMJGYPZVPQSJ-IRXDYDNUSA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517183736 1071979372 /nfs/dbraw/zinc/97/93/72/1071979372.db2.gz ACAMJGYPZVPQSJ-SJORKVTESA-N 1 2 442.524 -0.200 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517183736 1071979358 /nfs/dbraw/zinc/97/93/58/1071979358.db2.gz ACAMJGYPZVPQSJ-SJORKVTESA-N 1 2 442.524 -0.200 20 0 IBADLO CC(C)CN1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000517192186 1071981655 /nfs/dbraw/zinc/98/16/55/1071981655.db2.gz QRYPBCUETCTXJO-UHFFFAOYSA-N 1 2 444.536 -0.437 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)(N2CCOCC2)C1 ZINC000517203873 1071982403 /nfs/dbraw/zinc/98/24/03/1071982403.db2.gz QFYVKFJFMOVNCC-UHFFFAOYSA-N 1 2 440.585 -0.058 20 0 IBADLO Cc1c([C@H]2[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC(=O)N2C)cnn1C ZINC000517224204 1071983034 /nfs/dbraw/zinc/98/30/34/1071983034.db2.gz DAYYNFPVGSTOBE-HQRMLTQVSA-N 1 2 448.568 -0.020 20 0 IBADLO Cc1c([C@H]2[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)CC(=O)N2C)cnn1C ZINC000517224205 1071982968 /nfs/dbraw/zinc/98/29/68/1071982968.db2.gz DAYYNFPVGSTOBE-POAQFYNOSA-N 1 2 448.568 -0.020 20 0 IBADLO COc1ccc(C(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)cc1OC ZINC000517227723 1071982891 /nfs/dbraw/zinc/98/28/91/1071982891.db2.gz UPALZLNGZTUQPS-UHFFFAOYSA-N 1 2 445.524 -0.081 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000517260730 1071983512 /nfs/dbraw/zinc/98/35/12/1071983512.db2.gz GQGSSBDCHGEYEA-UHFFFAOYSA-N 1 2 435.550 -0.511 20 0 IBADLO COc1ccc(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517276972 1071985483 /nfs/dbraw/zinc/98/54/83/1071985483.db2.gz UJNGHDQCZNYTRK-UHFFFAOYSA-N 1 2 439.538 -0.421 20 0 IBADLO Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517279807 1071986523 /nfs/dbraw/zinc/98/65/23/1071986523.db2.gz CICORTRVNZTSCW-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000517304151 1071987966 /nfs/dbraw/zinc/98/79/66/1071987966.db2.gz DYVRZXDYBJMXNF-INIZCTEOSA-N 1 2 439.534 -0.234 20 0 IBADLO CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000517304156 1071987923 /nfs/dbraw/zinc/98/79/23/1071987923.db2.gz DYVRZXDYBJMXNF-MRXNPFEDSA-N 1 2 439.534 -0.234 20 0 IBADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000517318986 1071988406 /nfs/dbraw/zinc/98/84/06/1071988406.db2.gz UOLCGGYHVXTNNK-UHFFFAOYSA-N 1 2 448.505 -0.461 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1-n1cnnn1 ZINC000517344215 1071990343 /nfs/dbraw/zinc/99/03/43/1071990343.db2.gz VMZLQPAWMRLWTQ-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@]12CCC(=O)N1CCS2 ZINC000517344337 1071990205 /nfs/dbraw/zinc/99/02/05/1071990205.db2.gz WKPDGOOUVRBWHM-GOSISDBHSA-N 1 2 439.563 -0.285 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000517344338 1071990367 /nfs/dbraw/zinc/99/03/67/1071990367.db2.gz WKPDGOOUVRBWHM-SFHVURJKSA-N 1 2 439.563 -0.285 20 0 IBADLO O=C(CCN1CCCS1(=O)=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517344343 1071990255 /nfs/dbraw/zinc/99/02/55/1071990255.db2.gz XYKZMSXJDFJYFH-UHFFFAOYSA-N 1 2 445.567 -0.925 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000517399997 1071992318 /nfs/dbraw/zinc/99/23/18/1071992318.db2.gz HAJLTEDTMNAZFA-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000517399997 1071992305 /nfs/dbraw/zinc/99/23/05/1071992305.db2.gz HAJLTEDTMNAZFA-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000517399998 1071992442 /nfs/dbraw/zinc/99/24/42/1071992442.db2.gz HAJLTEDTMNAZFA-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000517399998 1071992437 /nfs/dbraw/zinc/99/24/37/1071992437.db2.gz HAJLTEDTMNAZFA-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000517399999 1071992480 /nfs/dbraw/zinc/99/24/80/1071992480.db2.gz HAJLTEDTMNAZFA-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000517399999 1071992470 /nfs/dbraw/zinc/99/24/70/1071992470.db2.gz HAJLTEDTMNAZFA-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000517400000 1071992425 /nfs/dbraw/zinc/99/24/25/1071992425.db2.gz HAJLTEDTMNAZFA-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000517400000 1071992417 /nfs/dbraw/zinc/99/24/17/1071992417.db2.gz HAJLTEDTMNAZFA-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000517496645 1071996058 /nfs/dbraw/zinc/99/60/58/1071996058.db2.gz YWILQWFWHNHIKY-UHFFFAOYSA-N 1 2 444.540 -0.925 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000517535187 1071997592 /nfs/dbraw/zinc/99/75/92/1071997592.db2.gz ULBKPDBOSJYQRP-UHFFFAOYSA-N 1 2 437.464 -0.785 20 0 IBADLO CC(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000517601357 1072000203 /nfs/dbraw/zinc/00/02/03/1072000203.db2.gz WAKBHHZYCTYSTI-UHFFFAOYSA-N 1 2 425.511 -0.399 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000517601694 1072000038 /nfs/dbraw/zinc/00/00/38/1072000038.db2.gz VYMPTQTUJRNQLQ-UHFFFAOYSA-N 1 2 444.579 -0.042 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000517601739 1072000175 /nfs/dbraw/zinc/00/01/75/1072000175.db2.gz ZMXLMDKCHQVMMT-UHFFFAOYSA-N 1 2 438.550 -0.010 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000517639388 1072002475 /nfs/dbraw/zinc/00/24/75/1072002475.db2.gz UYKISLFAJSTZEK-INIZCTEOSA-N 1 2 426.543 -0.616 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000517639388 1072002469 /nfs/dbraw/zinc/00/24/69/1072002469.db2.gz UYKISLFAJSTZEK-INIZCTEOSA-N 1 2 426.543 -0.616 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000517639389 1072002513 /nfs/dbraw/zinc/00/25/13/1072002513.db2.gz UYKISLFAJSTZEK-MRXNPFEDSA-N 1 2 426.543 -0.616 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000517639389 1072002499 /nfs/dbraw/zinc/00/24/99/1072002499.db2.gz UYKISLFAJSTZEK-MRXNPFEDSA-N 1 2 426.543 -0.616 20 0 IBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000517701571 1072006342 /nfs/dbraw/zinc/00/63/42/1072006342.db2.gz PEDWDZQDOBDKKN-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000517701571 1072006331 /nfs/dbraw/zinc/00/63/31/1072006331.db2.gz PEDWDZQDOBDKKN-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000517701573 1072006398 /nfs/dbraw/zinc/00/63/98/1072006398.db2.gz PEDWDZQDOBDKKN-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000517701573 1072006393 /nfs/dbraw/zinc/00/63/93/1072006393.db2.gz PEDWDZQDOBDKKN-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517708853 1072005957 /nfs/dbraw/zinc/00/59/57/1072005957.db2.gz HTOFJTDUPVIWCG-HNNXBMFYSA-N 1 2 432.568 -0.768 20 0 IBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517708853 1072005945 /nfs/dbraw/zinc/00/59/45/1072005945.db2.gz HTOFJTDUPVIWCG-HNNXBMFYSA-N 1 2 432.568 -0.768 20 0 IBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517708855 1072614418 /nfs/dbraw/zinc/61/44/18/1072614418.db2.gz HTOFJTDUPVIWCG-OAHLLOKOSA-N 1 2 432.568 -0.768 20 0 IBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517708855 1072614411 /nfs/dbraw/zinc/61/44/11/1072614411.db2.gz HTOFJTDUPVIWCG-OAHLLOKOSA-N 1 2 432.568 -0.768 20 0 IBADLO Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517715226 1072006876 /nfs/dbraw/zinc/00/68/76/1072006876.db2.gz IIUWVBPZAUSDSB-UHFFFAOYSA-N 1 2 449.541 -0.388 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000517762940 1072010259 /nfs/dbraw/zinc/01/02/59/1072010259.db2.gz IPTQMQUEACIDBS-GOSISDBHSA-N 1 2 426.558 -0.007 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000517762942 1072010348 /nfs/dbraw/zinc/01/03/48/1072010348.db2.gz IPTQMQUEACIDBS-SFHVURJKSA-N 1 2 426.558 -0.007 20 0 IBADLO Cc1c(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cccc1-n1cnnn1 ZINC000517785898 1072011924 /nfs/dbraw/zinc/01/19/24/1072011924.db2.gz JTMOQAICGCHDPW-UHFFFAOYSA-N 1 2 447.463 -0.065 20 0 IBADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000517795573 1072011299 /nfs/dbraw/zinc/01/12/99/1072011299.db2.gz BKZLDSWBPDWNME-UHFFFAOYSA-N 1 2 437.464 -0.117 20 0 IBADLO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517814627 1072012254 /nfs/dbraw/zinc/01/22/54/1072012254.db2.gz GALKJGFHFNRYHK-INIZCTEOSA-N 1 2 429.477 -0.142 20 0 IBADLO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517814628 1072012373 /nfs/dbraw/zinc/01/23/73/1072012373.db2.gz GALKJGFHFNRYHK-MRXNPFEDSA-N 1 2 429.477 -0.142 20 0 IBADLO COc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OCC(N)=O ZINC000517818685 1072012825 /nfs/dbraw/zinc/01/28/25/1072012825.db2.gz XXQIIJSOEIEECD-INIZCTEOSA-N 1 2 434.493 -0.644 20 0 IBADLO COc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OCC(N)=O ZINC000517818686 1072012764 /nfs/dbraw/zinc/01/27/64/1072012764.db2.gz XXQIIJSOEIEECD-MRXNPFEDSA-N 1 2 434.493 -0.644 20 0 IBADLO CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000517819943 1072012921 /nfs/dbraw/zinc/01/29/21/1072012921.db2.gz BDZVUZNDONLVKX-CYBMUJFWSA-N 1 2 430.552 -0.547 20 0 IBADLO CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000517819951 1072012742 /nfs/dbraw/zinc/01/27/42/1072012742.db2.gz BDZVUZNDONLVKX-ZDUSSCGKSA-N 1 2 430.552 -0.547 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000517854383 1072013717 /nfs/dbraw/zinc/01/37/17/1072013717.db2.gz WBLUCASLNUQXRS-HNNXBMFYSA-N 1 2 434.522 -0.037 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000517854384 1072013847 /nfs/dbraw/zinc/01/38/47/1072013847.db2.gz WBLUCASLNUQXRS-OAHLLOKOSA-N 1 2 434.522 -0.037 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)C(=O)NC2=O ZINC000517867157 1072014485 /nfs/dbraw/zinc/01/44/85/1072014485.db2.gz NVLPUQDZOVJYFT-UHFFFAOYSA-N 1 2 443.485 -0.153 20 0 IBADLO C[C@@H](Cc1ccsc1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517905036 1072015782 /nfs/dbraw/zinc/01/57/82/1072015782.db2.gz FSPQUHIWMDYANW-HNNXBMFYSA-N 1 2 443.595 -0.568 20 0 IBADLO C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517905037 1072015989 /nfs/dbraw/zinc/01/59/89/1072015989.db2.gz FSPQUHIWMDYANW-OAHLLOKOSA-N 1 2 443.595 -0.568 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000517909874 1072016396 /nfs/dbraw/zinc/01/63/96/1072016396.db2.gz QDXHRCFVQZRCSK-BRSBDYLESA-N 1 2 447.602 -0.223 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517909876 1072016649 /nfs/dbraw/zinc/01/66/49/1072016649.db2.gz QDXHRCFVQZRCSK-TVFCKZIOSA-N 1 2 447.602 -0.223 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517909878 1072016433 /nfs/dbraw/zinc/01/64/33/1072016433.db2.gz QDXHRCFVQZRCSK-XDNAFOTISA-N 1 2 447.602 -0.223 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000517909881 1072016414 /nfs/dbraw/zinc/01/64/14/1072016414.db2.gz QDXHRCFVQZRCSK-XMTFNYHQSA-N 1 2 447.602 -0.223 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)c2)CC1 ZINC000517924454 1072017232 /nfs/dbraw/zinc/01/72/32/1072017232.db2.gz RVWJQGJOCWUUQM-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)c2)CC1 ZINC000517924455 1072016951 /nfs/dbraw/zinc/01/69/51/1072016951.db2.gz RVWJQGJOCWUUQM-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)o1 ZINC000517986052 1072019596 /nfs/dbraw/zinc/01/95/96/1072019596.db2.gz VMDOYDPBRBGJML-UHFFFAOYSA-N 1 2 441.554 -0.502 20 0 IBADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000518005555 1072019648 /nfs/dbraw/zinc/01/96/48/1072019648.db2.gz RPVDMSRVPJLZEY-GOSISDBHSA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000518005555 1072019641 /nfs/dbraw/zinc/01/96/41/1072019641.db2.gz RPVDMSRVPJLZEY-GOSISDBHSA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000518005560 1072019739 /nfs/dbraw/zinc/01/97/39/1072019739.db2.gz RPVDMSRVPJLZEY-SFHVURJKSA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000518005560 1072019725 /nfs/dbraw/zinc/01/97/25/1072019725.db2.gz RPVDMSRVPJLZEY-SFHVURJKSA-N 1 2 437.585 -0.384 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000518101457 1072027744 /nfs/dbraw/zinc/02/77/44/1072027744.db2.gz ZEZBIORARRGPFH-UHFFFAOYSA-N 1 2 448.443 -0.124 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000518112263 1072029665 /nfs/dbraw/zinc/02/96/65/1072029665.db2.gz PMSSRDLUHVMGEJ-UHFFFAOYSA-N 1 2 433.436 -0.374 20 0 IBADLO COc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518129114 1072030261 /nfs/dbraw/zinc/03/02/61/1072030261.db2.gz FKSOXCSQWGKPAI-UHFFFAOYSA-N 1 2 425.511 -0.730 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000518129670 1072030193 /nfs/dbraw/zinc/03/01/93/1072030193.db2.gz QWUCKKUZCZTKCK-UHFFFAOYSA-N 1 2 439.538 -0.340 20 0 IBADLO CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518142304 1072031699 /nfs/dbraw/zinc/03/16/99/1072031699.db2.gz HHYUUIMLRGDOKM-UHFFFAOYSA-N 1 2 441.579 -0.017 20 0 IBADLO Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518142699 1072031803 /nfs/dbraw/zinc/03/18/03/1072031803.db2.gz QGASKCJZAOOZFJ-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO CC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518142941 1072031233 /nfs/dbraw/zinc/03/12/33/1072031233.db2.gz VVXQBHHQMZGYSE-UHFFFAOYSA-N 1 2 437.522 -0.536 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000518142997 1072031327 /nfs/dbraw/zinc/03/13/27/1072031327.db2.gz YHTWINSYFBNWPP-UHFFFAOYSA-N 1 2 425.511 -0.730 20 0 IBADLO COCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518144952 1072031857 /nfs/dbraw/zinc/03/18/57/1072031857.db2.gz FPTFOEQQWGTAKK-UHFFFAOYSA-N 1 2 439.538 -0.592 20 0 IBADLO Cc1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518145089 1072031923 /nfs/dbraw/zinc/03/19/23/1072031923.db2.gz CIZPMMZIDQRTRW-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO COc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518145234 1072031938 /nfs/dbraw/zinc/03/19/38/1072031938.db2.gz LHBZXSXASWENHV-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO CCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518145349 1072031721 /nfs/dbraw/zinc/03/17/21/1072031721.db2.gz NKEBYQOTRWCZOO-UHFFFAOYSA-N 1 2 440.526 -0.945 20 0 IBADLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518181538 1072036533 /nfs/dbraw/zinc/03/65/33/1072036533.db2.gz BWLAQHVPGJLSKX-UHFFFAOYSA-N 1 2 438.488 -0.367 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000518317469 1072045438 /nfs/dbraw/zinc/04/54/38/1072045438.db2.gz OXBOLTHXMOGDHJ-UHFFFAOYSA-N 1 2 444.579 -0.042 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000518405625 1072054912 /nfs/dbraw/zinc/05/49/12/1072054912.db2.gz PHRINTXBNYVUBI-UHFFFAOYSA-N 1 2 426.539 -0.035 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1nccs1 ZINC000518407786 1072054721 /nfs/dbraw/zinc/05/47/21/1072054721.db2.gz JGDUGJATQIJMRR-UHFFFAOYSA-N 1 2 438.535 -0.578 20 0 IBADLO O=C(N[C@H]1CCc2c[nH]nc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000518418050 1072056360 /nfs/dbraw/zinc/05/63/60/1072056360.db2.gz UKMTXYLVMWLGBF-INIZCTEOSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@H]1CCc2c[nH]nc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000518418050 1072056348 /nfs/dbraw/zinc/05/63/48/1072056348.db2.gz UKMTXYLVMWLGBF-INIZCTEOSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@@H]1CCc2c[nH]nc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000518418051 1072056221 /nfs/dbraw/zinc/05/62/21/1072056221.db2.gz UKMTXYLVMWLGBF-MRXNPFEDSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@@H]1CCc2c[nH]nc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000518418051 1072056209 /nfs/dbraw/zinc/05/62/09/1072056209.db2.gz UKMTXYLVMWLGBF-MRXNPFEDSA-N 1 2 440.508 -0.641 20 0 IBADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)oc1C ZINC000518440752 1072060182 /nfs/dbraw/zinc/06/01/82/1072060182.db2.gz SGOBTXQHRWUDLJ-UHFFFAOYSA-N 1 2 425.511 -0.121 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000518454437 1072061196 /nfs/dbraw/zinc/06/11/96/1072061196.db2.gz FNZRWAUUFAURLI-UHFFFAOYSA-N 1 2 432.525 -0.408 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000518454437 1072061178 /nfs/dbraw/zinc/06/11/78/1072061178.db2.gz FNZRWAUUFAURLI-UHFFFAOYSA-N 1 2 432.525 -0.408 20 0 IBADLO CN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ncnc2nc[nH]c21 ZINC000518498824 1072064558 /nfs/dbraw/zinc/06/45/58/1072064558.db2.gz UBSZDZBHFVNIFH-UHFFFAOYSA-N 1 2 443.556 -0.514 20 0 IBADLO C[C@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2O1 ZINC000518509715 1072065264 /nfs/dbraw/zinc/06/52/64/1072065264.db2.gz MLEBROZZTFYXFZ-HNNXBMFYSA-N 1 2 444.579 -0.192 20 0 IBADLO C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2O1 ZINC000518509716 1072065106 /nfs/dbraw/zinc/06/51/06/1072065106.db2.gz MLEBROZZTFYXFZ-OAHLLOKOSA-N 1 2 444.579 -0.192 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000518543133 1072067284 /nfs/dbraw/zinc/06/72/84/1072067284.db2.gz CHSZXVQSJOBMHO-KRWDZBQOSA-N 1 2 427.567 -0.016 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000518543134 1072067497 /nfs/dbraw/zinc/06/74/97/1072067497.db2.gz CHSZXVQSJOBMHO-QGZVFWFLSA-N 1 2 427.567 -0.016 20 0 IBADLO Cc1c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nnn1-c1ccn(C)n1 ZINC000518577269 1072070201 /nfs/dbraw/zinc/07/02/01/1072070201.db2.gz MKMBUPYFWRMSAI-UHFFFAOYSA-N 1 2 438.496 -0.102 20 0 IBADLO Cc1c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nnn1-c1ccn(C)n1 ZINC000518577269 1072070197 /nfs/dbraw/zinc/07/01/97/1072070197.db2.gz MKMBUPYFWRMSAI-UHFFFAOYSA-N 1 2 438.496 -0.102 20 0 IBADLO Cn1c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518771031 1072085294 /nfs/dbraw/zinc/08/52/94/1072085294.db2.gz NDBCRNSJYVZJQK-UHFFFAOYSA-N 1 2 430.509 -0.654 20 0 IBADLO Cn1c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518771031 1072085281 /nfs/dbraw/zinc/08/52/81/1072085281.db2.gz NDBCRNSJYVZJQK-UHFFFAOYSA-N 1 2 430.509 -0.654 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000518803767 1072087731 /nfs/dbraw/zinc/08/77/31/1072087731.db2.gz YYCJVHZZXKHSQX-UHFFFAOYSA-N 1 2 430.502 -0.305 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000518803767 1072087727 /nfs/dbraw/zinc/08/77/27/1072087727.db2.gz YYCJVHZZXKHSQX-UHFFFAOYSA-N 1 2 430.502 -0.305 20 0 IBADLO COCC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000518836821 1072431245 /nfs/dbraw/zinc/43/12/45/1072431245.db2.gz QZTHDCYLMVMKGQ-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO COCC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000518836821 1072431236 /nfs/dbraw/zinc/43/12/36/1072431236.db2.gz QZTHDCYLMVMKGQ-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000518850765 1072090207 /nfs/dbraw/zinc/09/02/07/1072090207.db2.gz XYVILGJWPLFJKR-KRWDZBQOSA-N 1 2 435.616 -0.282 20 0 IBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000518850766 1072090165 /nfs/dbraw/zinc/09/01/65/1072090165.db2.gz XYVILGJWPLFJKR-QGZVFWFLSA-N 1 2 435.616 -0.282 20 0 IBADLO CNS(=O)(=O)c1ccc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000518905916 1072093343 /nfs/dbraw/zinc/09/33/43/1072093343.db2.gz KSMQNIWSXRWCJL-UHFFFAOYSA-N 1 2 440.551 -0.051 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c(=O)n2C ZINC000518957113 1072098436 /nfs/dbraw/zinc/09/84/36/1072098436.db2.gz ZXTNZTRVILZDDC-KRWDZBQOSA-N 1 2 440.504 -0.507 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c(=O)n2C ZINC000518957114 1072098646 /nfs/dbraw/zinc/09/86/46/1072098646.db2.gz ZXTNZTRVILZDDC-QGZVFWFLSA-N 1 2 440.504 -0.507 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000519034084 1072104422 /nfs/dbraw/zinc/10/44/22/1072104422.db2.gz HGCQKPMFGMHIKO-UHFFFAOYSA-N 1 2 446.475 -0.091 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066875 1072107078 /nfs/dbraw/zinc/10/70/78/1072107078.db2.gz ZBIZMLIHCKLCCV-KSZLIROESA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066875 1072107072 /nfs/dbraw/zinc/10/70/72/1072107072.db2.gz ZBIZMLIHCKLCCV-KSZLIROESA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066876 1072107129 /nfs/dbraw/zinc/10/71/29/1072107129.db2.gz ZBIZMLIHCKLCCV-KURKYZTESA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066876 1072107128 /nfs/dbraw/zinc/10/71/28/1072107128.db2.gz ZBIZMLIHCKLCCV-KURKYZTESA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066877 1072107113 /nfs/dbraw/zinc/10/71/13/1072107113.db2.gz ZBIZMLIHCKLCCV-KZNAEPCWSA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066877 1072107111 /nfs/dbraw/zinc/10/71/11/1072107111.db2.gz ZBIZMLIHCKLCCV-KZNAEPCWSA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066878 1072107141 /nfs/dbraw/zinc/10/71/41/1072107141.db2.gz ZBIZMLIHCKLCCV-RCCFBDPRSA-N 1 2 444.598 -0.819 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000519066878 1072107139 /nfs/dbraw/zinc/10/71/39/1072107139.db2.gz ZBIZMLIHCKLCCV-RCCFBDPRSA-N 1 2 444.598 -0.819 20 0 IBADLO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519082592 1072109384 /nfs/dbraw/zinc/10/93/84/1072109384.db2.gz KZQUMSYLFPDWSY-INIZCTEOSA-N 1 2 446.618 -0.255 20 0 IBADLO Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000519099461 1072110421 /nfs/dbraw/zinc/11/04/21/1072110421.db2.gz VFWAHYROQUZQJL-GOSISDBHSA-N 1 2 446.552 -0.431 20 0 IBADLO Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000519099462 1072110344 /nfs/dbraw/zinc/11/03/44/1072110344.db2.gz VFWAHYROQUZQJL-SFHVURJKSA-N 1 2 446.552 -0.431 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccnc(-n2cncn2)c1 ZINC000519103602 1072110952 /nfs/dbraw/zinc/11/09/52/1072110952.db2.gz NAJUTZWESHBCLI-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000519114387 1072111338 /nfs/dbraw/zinc/11/13/38/1072111338.db2.gz MGWLKCOQOZIYBI-UHFFFAOYSA-N 1 2 435.506 -0.069 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C[C@H](C)O1 ZINC000519160248 1072113965 /nfs/dbraw/zinc/11/39/65/1072113965.db2.gz BWJHRXIAKKQHJU-GASCZTMLSA-N 1 2 431.559 -0.322 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C[C@H](C)O1 ZINC000519160249 1072113895 /nfs/dbraw/zinc/11/38/95/1072113895.db2.gz BWJHRXIAKKQHJU-GJZGRUSLSA-N 1 2 431.559 -0.322 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C[C@@H](C)O1 ZINC000519160250 1072113947 /nfs/dbraw/zinc/11/39/47/1072113947.db2.gz BWJHRXIAKKQHJU-HUUCEWRRSA-N 1 2 431.559 -0.322 20 0 IBADLO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519169234 1072116621 /nfs/dbraw/zinc/11/66/21/1072116621.db2.gz SSIMDTDRYKHSQF-UHFFFAOYSA-N 1 2 438.554 -0.658 20 0 IBADLO NC(=O)C[N@@H+](CCC1CCCCC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000519191709 1072116600 /nfs/dbraw/zinc/11/66/00/1072116600.db2.gz MGCWFQDRSHSNFR-UHFFFAOYSA-N 1 2 437.585 -0.253 20 0 IBADLO NC(=O)C[N@H+](CCC1CCCCC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000519191709 1072116594 /nfs/dbraw/zinc/11/65/94/1072116594.db2.gz MGCWFQDRSHSNFR-UHFFFAOYSA-N 1 2 437.585 -0.253 20 0 IBADLO CC(=O)N1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000519203608 1072119293 /nfs/dbraw/zinc/11/92/93/1072119293.db2.gz JNCDVZJJWURTNI-UHFFFAOYSA-N 1 2 430.575 -0.936 20 0 IBADLO COC(=O)CSCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519234081 1072121373 /nfs/dbraw/zinc/12/13/73/1072121373.db2.gz OECCOLOCEGKMOL-UHFFFAOYSA-N 1 2 445.567 -0.261 20 0 IBADLO Cc1ccncc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519241694 1072122236 /nfs/dbraw/zinc/12/22/36/1072122236.db2.gz DDTWIEZCQXKUAW-UHFFFAOYSA-N 1 2 432.506 -0.008 20 0 IBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000519247632 1072123139 /nfs/dbraw/zinc/12/31/39/1072123139.db2.gz BPJLJBBIHWXUQK-UHFFFAOYSA-N 1 2 445.520 -0.093 20 0 IBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000519247632 1072123138 /nfs/dbraw/zinc/12/31/38/1072123138.db2.gz BPJLJBBIHWXUQK-UHFFFAOYSA-N 1 2 445.520 -0.093 20 0 IBADLO C[C@@H](COCC(F)(F)F)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519305305 1072126506 /nfs/dbraw/zinc/12/65/06/1072126506.db2.gz CABCLZSSUFNLKF-ZDUSSCGKSA-N 1 2 431.481 -0.227 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000519325930 1072128398 /nfs/dbraw/zinc/12/83/98/1072128398.db2.gz NEWBGEIAIHOPPP-AWEZNQCLSA-N 1 2 428.559 -0.057 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000519325931 1072128422 /nfs/dbraw/zinc/12/84/22/1072128422.db2.gz NEWBGEIAIHOPPP-CQSZACIVSA-N 1 2 428.559 -0.057 20 0 IBADLO COC(=O)CSCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519358135 1072129374 /nfs/dbraw/zinc/12/93/74/1072129374.db2.gz PIDRKVLJMOJWCI-UHFFFAOYSA-N 1 2 430.552 -0.054 20 0 IBADLO Cn1cc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000519412400 1072136271 /nfs/dbraw/zinc/13/62/71/1072136271.db2.gz LJOLNQCUFSDAOH-UHFFFAOYSA-N 1 2 438.506 -0.727 20 0 IBADLO NS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000519427178 1072137171 /nfs/dbraw/zinc/13/71/71/1072137171.db2.gz DXNRYVJMWCGCRS-UHFFFAOYSA-N 1 2 426.539 -0.071 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000519556439 1072154930 /nfs/dbraw/zinc/15/49/30/1072154930.db2.gz OCSVIGMOSGPDCK-GOSISDBHSA-N 1 2 425.493 -0.210 20 0 IBADLO C[C@@H]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000519616712 1072225782 /nfs/dbraw/zinc/22/57/82/1072225782.db2.gz YEFKORGFSQAPIL-MSOLQXFVSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@@H]1CCC[C@H](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000519616729 1072225812 /nfs/dbraw/zinc/22/58/12/1072225812.db2.gz YEFKORGFSQAPIL-QZTJIDSGSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@H]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000519616742 1072225862 /nfs/dbraw/zinc/22/58/62/1072225862.db2.gz YEFKORGFSQAPIL-ROUUACIJSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@H]1CCC[C@H](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000519616751 1072225658 /nfs/dbraw/zinc/22/56/58/1072225658.db2.gz YEFKORGFSQAPIL-ZWKOTPCHSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000519669088 1072228571 /nfs/dbraw/zinc/22/85/71/1072228571.db2.gz KZOUSFJKGROJBT-INIZCTEOSA-N 1 2 433.538 -0.152 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000519669125 1072228363 /nfs/dbraw/zinc/22/83/63/1072228363.db2.gz KZOUSFJKGROJBT-MRXNPFEDSA-N 1 2 433.538 -0.152 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000519724485 1072230106 /nfs/dbraw/zinc/23/01/06/1072230106.db2.gz KIHCOQINAJTUHN-INIZCTEOSA-N 1 2 430.513 -0.753 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000519724554 1072230255 /nfs/dbraw/zinc/23/02/55/1072230255.db2.gz KIHCOQINAJTUHN-MRXNPFEDSA-N 1 2 430.513 -0.753 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000519729250 1072230346 /nfs/dbraw/zinc/23/03/46/1072230346.db2.gz PPCFYGHDPSAKEB-AWEZNQCLSA-N 1 2 446.537 -0.125 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000519729250 1072230335 /nfs/dbraw/zinc/23/03/35/1072230335.db2.gz PPCFYGHDPSAKEB-AWEZNQCLSA-N 1 2 446.537 -0.125 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000519729270 1072230093 /nfs/dbraw/zinc/23/00/93/1072230093.db2.gz PPCFYGHDPSAKEB-CQSZACIVSA-N 1 2 446.537 -0.125 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000519729270 1072230088 /nfs/dbraw/zinc/23/00/88/1072230088.db2.gz PPCFYGHDPSAKEB-CQSZACIVSA-N 1 2 446.537 -0.125 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000519732591 1072230805 /nfs/dbraw/zinc/23/08/05/1072230805.db2.gz WLPCNVJHHDSOOS-AEFFLSMTSA-N 1 2 434.541 -0.092 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000519732591 1072230797 /nfs/dbraw/zinc/23/07/97/1072230797.db2.gz WLPCNVJHHDSOOS-AEFFLSMTSA-N 1 2 434.541 -0.092 20 0 IBADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519755022 1072231502 /nfs/dbraw/zinc/23/15/02/1072231502.db2.gz LUECHQQIBNYRSV-AWEZNQCLSA-N 1 2 447.517 -0.455 20 0 IBADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519755036 1072231224 /nfs/dbraw/zinc/23/12/24/1072231224.db2.gz LUECHQQIBNYRSV-CQSZACIVSA-N 1 2 447.517 -0.455 20 0 IBADLO CC1(C)CN(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000519773292 1072231332 /nfs/dbraw/zinc/23/13/32/1072231332.db2.gz GIAPVKCNIXFWRS-UHFFFAOYSA-N 1 2 446.552 -0.537 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000519846935 1072235112 /nfs/dbraw/zinc/23/51/12/1072235112.db2.gz XKTGGIDFBLLZQI-HNNXBMFYSA-N 1 2 426.539 -0.047 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000519846996 1072235207 /nfs/dbraw/zinc/23/52/07/1072235207.db2.gz XKTGGIDFBLLZQI-OAHLLOKOSA-N 1 2 426.539 -0.047 20 0 IBADLO C[C@@H](CN1CCCC1=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519971490 1072242307 /nfs/dbraw/zinc/24/23/07/1072242307.db2.gz TVFPCBKONOHHHX-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO C[C@H](CN1CCCC1=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519971491 1072242285 /nfs/dbraw/zinc/24/22/85/1072242285.db2.gz TVFPCBKONOHHHX-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000520129687 1072307559 /nfs/dbraw/zinc/30/75/59/1072307559.db2.gz IQDOHCYECNQRIF-UHFFFAOYSA-N 1 2 444.536 -0.877 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000520163808 1072256403 /nfs/dbraw/zinc/25/64/03/1072256403.db2.gz BXQZKRBNTISERZ-QGZVFWFLSA-N 1 2 438.550 -0.266 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCCCC1 ZINC000520163874 1072256370 /nfs/dbraw/zinc/25/63/70/1072256370.db2.gz IGSLIZUBETZYCM-IBGZPJMESA-N 1 2 435.569 -0.676 20 0 IBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520187293 1072258305 /nfs/dbraw/zinc/25/83/05/1072258305.db2.gz HEGISCIYJAIGFA-INIZCTEOSA-N 1 2 430.571 -0.560 20 0 IBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520187294 1072258263 /nfs/dbraw/zinc/25/82/63/1072258263.db2.gz HEGISCIYJAIGFA-MRXNPFEDSA-N 1 2 430.571 -0.560 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000520265124 1072263899 /nfs/dbraw/zinc/26/38/99/1072263899.db2.gz MCYNUALSHQBYLS-UHFFFAOYSA-N 1 2 432.573 -0.160 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000520287107 1072264958 /nfs/dbraw/zinc/26/49/58/1072264958.db2.gz GZFIXNCAHXXDCL-UHFFFAOYSA-N 1 2 436.542 -0.086 20 0 IBADLO COC(=O)c1cccc(OCCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000520386201 1072271277 /nfs/dbraw/zinc/27/12/77/1072271277.db2.gz WBBAEINIMWLBLQ-UHFFFAOYSA-N 1 2 426.539 -0.038 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000520418014 1072273545 /nfs/dbraw/zinc/27/35/45/1072273545.db2.gz RVLJDUVVCASWAP-GOSISDBHSA-N 1 2 445.520 -0.104 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000520418015 1072273406 /nfs/dbraw/zinc/27/34/06/1072273406.db2.gz RVLJDUVVCASWAP-SFHVURJKSA-N 1 2 445.520 -0.104 20 0 IBADLO CCOCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520437169 1072285186 /nfs/dbraw/zinc/28/51/86/1072285186.db2.gz UZJJNWHOTRKBKJ-UHFFFAOYSA-N 1 2 427.527 -0.856 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000520494989 1072295300 /nfs/dbraw/zinc/29/53/00/1072295300.db2.gz CVPMPASDXSHAGV-INIZCTEOSA-N 1 2 432.477 -0.291 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000520494990 1072295160 /nfs/dbraw/zinc/29/51/60/1072295160.db2.gz CVPMPASDXSHAGV-MRXNPFEDSA-N 1 2 432.477 -0.291 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000520505206 1072295766 /nfs/dbraw/zinc/29/57/66/1072295766.db2.gz OFYYUTDICMEXRQ-INIZCTEOSA-N 1 2 436.534 -0.336 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000520505207 1072296495 /nfs/dbraw/zinc/29/64/95/1072296495.db2.gz OFYYUTDICMEXRQ-MRXNPFEDSA-N 1 2 436.534 -0.336 20 0 IBADLO CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520516889 1072296909 /nfs/dbraw/zinc/29/69/09/1072296909.db2.gz YOGLYENNRLUALA-INIZCTEOSA-N 1 2 430.571 -0.513 20 0 IBADLO CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520516890 1072296974 /nfs/dbraw/zinc/29/69/74/1072296974.db2.gz YOGLYENNRLUALA-MRXNPFEDSA-N 1 2 430.571 -0.513 20 0 IBADLO CC(C)Nc1nc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000520619108 1072306487 /nfs/dbraw/zinc/30/64/87/1072306487.db2.gz JHALHLYNLKPLLU-HNNXBMFYSA-N 1 2 427.575 -0.229 20 0 IBADLO CC(C)Nc1nc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000520619109 1072306326 /nfs/dbraw/zinc/30/63/26/1072306326.db2.gz JHALHLYNLKPLLU-OAHLLOKOSA-N 1 2 427.575 -0.229 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000520753953 1072322063 /nfs/dbraw/zinc/32/20/63/1072322063.db2.gz RGXHMCZEGLYUFL-UHFFFAOYSA-N 1 2 433.538 -0.124 20 0 IBADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888493 1072370651 /nfs/dbraw/zinc/37/06/51/1072370651.db2.gz LQIUTPSYAKVPBZ-HRCADAONSA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888493 1072370644 /nfs/dbraw/zinc/37/06/44/1072370644.db2.gz LQIUTPSYAKVPBZ-HRCADAONSA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888494 1072370611 /nfs/dbraw/zinc/37/06/11/1072370611.db2.gz LQIUTPSYAKVPBZ-JYJNAYRXSA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888494 1072370605 /nfs/dbraw/zinc/37/06/05/1072370605.db2.gz LQIUTPSYAKVPBZ-JYJNAYRXSA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888495 1072370587 /nfs/dbraw/zinc/37/05/87/1072370587.db2.gz LQIUTPSYAKVPBZ-OWCLPIDISA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888495 1072370580 /nfs/dbraw/zinc/37/05/80/1072370580.db2.gz LQIUTPSYAKVPBZ-OWCLPIDISA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888496 1072370632 /nfs/dbraw/zinc/37/06/32/1072370632.db2.gz LQIUTPSYAKVPBZ-PMPSAXMXSA-N 1 2 444.941 -0.283 20 0 IBADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c2ccc(Cl)cc2)C1 ZINC000520888496 1072370625 /nfs/dbraw/zinc/37/06/25/1072370625.db2.gz LQIUTPSYAKVPBZ-PMPSAXMXSA-N 1 2 444.941 -0.283 20 0 IBADLO O=C(C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CC[NH+](C2CC2)CC1 ZINC000520906829 1072372062 /nfs/dbraw/zinc/37/20/62/1072372062.db2.gz RZJKCLLPOCRKLS-IBGZPJMESA-N 1 2 428.489 -0.054 20 0 IBADLO O=C(C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CC[NH+](C2CC2)CC1 ZINC000520906830 1072372157 /nfs/dbraw/zinc/37/21/57/1072372157.db2.gz RZJKCLLPOCRKLS-LJQANCHMSA-N 1 2 428.489 -0.054 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000520911539 1072372087 /nfs/dbraw/zinc/37/20/87/1072372087.db2.gz HLOQPVWJKIJHCV-UHFFFAOYSA-N 1 2 435.550 -0.132 20 0 IBADLO CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000520956362 1072386719 /nfs/dbraw/zinc/38/67/19/1072386719.db2.gz TYWYJCQIVLSJPF-UHFFFAOYSA-N 1 2 430.552 -0.518 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000520997870 1072400699 /nfs/dbraw/zinc/40/06/99/1072400699.db2.gz LDLCDSWOYAYJJP-UHFFFAOYSA-N 1 2 437.522 -0.274 20 0 IBADLO COc1ncnc(OC)c1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521088470 1072407147 /nfs/dbraw/zinc/40/71/47/1072407147.db2.gz VMGCHRQCBLQIMP-UHFFFAOYSA-N 1 2 436.494 -0.229 20 0 IBADLO COCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000521164120 1072415651 /nfs/dbraw/zinc/41/56/51/1072415651.db2.gz NYIBTHOWLVNZGC-UHFFFAOYSA-N 1 2 426.539 -0.038 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCCCCC1 ZINC000521176167 1072419694 /nfs/dbraw/zinc/41/96/94/1072419694.db2.gz SHNSAEUALASIBS-FQEVSTJZSA-N 1 2 449.596 -0.286 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000521201786 1072423574 /nfs/dbraw/zinc/42/35/74/1072423574.db2.gz NWRRATXVLXBJBM-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000521201786 1072423567 /nfs/dbraw/zinc/42/35/67/1072423567.db2.gz NWRRATXVLXBJBM-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO O=C(NCCc1cccnc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000521215059 1072426663 /nfs/dbraw/zinc/42/66/63/1072426663.db2.gz QIJOILKCFFQNHB-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO O=C(NCCc1cccnc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000521215059 1072426662 /nfs/dbraw/zinc/42/66/62/1072426662.db2.gz QIJOILKCFFQNHB-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000521218869 1072427135 /nfs/dbraw/zinc/42/71/35/1072427135.db2.gz MTBFRHJQDQHYHT-UHFFFAOYSA-N 1 2 431.478 -0.262 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000521416185 1072446405 /nfs/dbraw/zinc/44/64/05/1072446405.db2.gz IOORLNYJTXPOLQ-JOCHJYFZSA-N 1 2 442.520 -0.635 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000521416186 1072446439 /nfs/dbraw/zinc/44/64/39/1072446439.db2.gz IOORLNYJTXPOLQ-QFIPXVFZSA-N 1 2 442.520 -0.635 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cnn(C)c1 ZINC000521417036 1072446386 /nfs/dbraw/zinc/44/63/86/1072446386.db2.gz LFNXUOJWFQKQCY-HNNXBMFYSA-N 1 2 428.497 -0.427 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cnn(C)c1 ZINC000521417036 1072446381 /nfs/dbraw/zinc/44/63/81/1072446381.db2.gz LFNXUOJWFQKQCY-HNNXBMFYSA-N 1 2 428.497 -0.427 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cnn(C)c1 ZINC000521417037 1072446296 /nfs/dbraw/zinc/44/62/96/1072446296.db2.gz LFNXUOJWFQKQCY-OAHLLOKOSA-N 1 2 428.497 -0.427 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cnn(C)c1 ZINC000521417037 1072446293 /nfs/dbraw/zinc/44/62/93/1072446293.db2.gz LFNXUOJWFQKQCY-OAHLLOKOSA-N 1 2 428.497 -0.427 20 0 IBADLO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521439847 1072446398 /nfs/dbraw/zinc/44/63/98/1072446398.db2.gz XTQGDCAUTKRYAR-CTNGQTDRSA-N 1 2 443.548 -0.462 20 0 IBADLO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521439848 1072446329 /nfs/dbraw/zinc/44/63/29/1072446329.db2.gz XTQGDCAUTKRYAR-FPOVZHCZSA-N 1 2 443.548 -0.462 20 0 IBADLO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521439849 1072446448 /nfs/dbraw/zinc/44/64/48/1072446448.db2.gz XTQGDCAUTKRYAR-PZJWPPBQSA-N 1 2 443.548 -0.462 20 0 IBADLO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521439850 1072446303 /nfs/dbraw/zinc/44/63/03/1072446303.db2.gz XTQGDCAUTKRYAR-TZIWHRDSSA-N 1 2 443.548 -0.462 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521463909 1072448929 /nfs/dbraw/zinc/44/89/29/1072448929.db2.gz RYCRIVJWPVILOV-FQEVSTJZSA-N 1 2 444.532 -0.044 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521463911 1072448935 /nfs/dbraw/zinc/44/89/35/1072448935.db2.gz RYCRIVJWPVILOV-HXUWFJFHSA-N 1 2 444.532 -0.044 20 0 IBADLO O=C(Cn1cnc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1)N1CCCCCC1 ZINC000521502395 1072450711 /nfs/dbraw/zinc/45/07/11/1072450711.db2.gz KPWOXZHPGHIQNV-KRWDZBQOSA-N 1 2 447.540 -0.200 20 0 IBADLO O=C(Cn1cnc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1)N1CCCCCC1 ZINC000521502396 1072450808 /nfs/dbraw/zinc/45/08/08/1072450808.db2.gz KPWOXZHPGHIQNV-QGZVFWFLSA-N 1 2 447.540 -0.200 20 0 IBADLO O=C(CN1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)N1CCOCC1 ZINC000521531568 1072450795 /nfs/dbraw/zinc/45/07/95/1072450795.db2.gz DRGQMSMXGBJTAU-GOSISDBHSA-N 1 2 431.493 -0.659 20 0 IBADLO O=C(CN1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)N1CCOCC1 ZINC000521531569 1072450764 /nfs/dbraw/zinc/45/07/64/1072450764.db2.gz DRGQMSMXGBJTAU-SFHVURJKSA-N 1 2 431.493 -0.659 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000521602440 1072453737 /nfs/dbraw/zinc/45/37/37/1072453737.db2.gz QBCKNRCSCJEJNG-CYBMUJFWSA-N 1 2 444.435 -0.481 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000521602444 1072453700 /nfs/dbraw/zinc/45/37/00/1072453700.db2.gz QBCKNRCSCJEJNG-ZDUSSCGKSA-N 1 2 444.435 -0.481 20 0 IBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000521604387 1072453634 /nfs/dbraw/zinc/45/36/34/1072453634.db2.gz YLBLMRUMHRCNCY-IBGZPJMESA-N 1 2 444.584 -0.063 20 0 IBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000521604388 1072454485 /nfs/dbraw/zinc/45/44/85/1072454485.db2.gz YLBLMRUMHRCNCY-LJQANCHMSA-N 1 2 444.584 -0.063 20 0 IBADLO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000521651150 1072456228 /nfs/dbraw/zinc/45/62/28/1072456228.db2.gz TZFOGCUTJAFCML-UHFFFAOYSA-N 1 2 425.497 -0.279 20 0 IBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000521662821 1072455588 /nfs/dbraw/zinc/45/55/88/1072455588.db2.gz ZEAVEHPNXVWLLO-IBGZPJMESA-N 1 2 427.571 -0.426 20 0 IBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000521662822 1072456170 /nfs/dbraw/zinc/45/61/70/1072456170.db2.gz ZEAVEHPNXVWLLO-LJQANCHMSA-N 1 2 427.571 -0.426 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000521686012 1072460382 /nfs/dbraw/zinc/46/03/82/1072460382.db2.gz VDWKSLOCZBUGEG-UHFFFAOYSA-N 1 2 428.537 -0.113 20 0 IBADLO NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521754543 1072463793 /nfs/dbraw/zinc/46/37/93/1072463793.db2.gz DJUVLDZGXNLJNY-HNNXBMFYSA-N 1 2 449.483 -0.450 20 0 IBADLO NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521754544 1072463601 /nfs/dbraw/zinc/46/36/01/1072463601.db2.gz DJUVLDZGXNLJNY-OAHLLOKOSA-N 1 2 449.483 -0.450 20 0 IBADLO Cn1c2[nH]c(CCC(=O)N3CC[NH+](Cc4ccc(C(N)=O)cc4)CC3)nc2c(=O)[nH]c1=O ZINC000521755337 1072463751 /nfs/dbraw/zinc/46/37/51/1072463751.db2.gz ZSQWWEPGVSQCOC-UHFFFAOYSA-N 1 2 439.476 -0.262 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000521789959 1072467786 /nfs/dbraw/zinc/46/77/86/1072467786.db2.gz PGEOOXPGRURRHI-UHFFFAOYSA-N 1 2 438.510 -0.183 20 0 IBADLO C[C@]1(c2cccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000521794026 1072466175 /nfs/dbraw/zinc/46/61/75/1072466175.db2.gz DQGLTBNWZHEHNN-LHSJRXKWSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@@]1(c2cccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000521794027 1072466260 /nfs/dbraw/zinc/46/62/60/1072466260.db2.gz DQGLTBNWZHEHNN-QKKBWIMNSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@]1(c2cccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000521794028 1072466192 /nfs/dbraw/zinc/46/61/92/1072466192.db2.gz DQGLTBNWZHEHNN-SPLOXXLWSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@@]1(c2cccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000521794029 1072466147 /nfs/dbraw/zinc/46/61/47/1072466147.db2.gz DQGLTBNWZHEHNN-SZNDQCEHSA-N 1 2 429.477 -0.140 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521795385 1072466272 /nfs/dbraw/zinc/46/62/72/1072466272.db2.gz KAGKSUXJHAOTLO-CYBMUJFWSA-N 1 2 426.495 -0.538 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521795386 1072466220 /nfs/dbraw/zinc/46/62/20/1072466220.db2.gz KAGKSUXJHAOTLO-ZDUSSCGKSA-N 1 2 426.495 -0.538 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000521852812 1072470970 /nfs/dbraw/zinc/47/09/70/1072470970.db2.gz GYHIZBMDYBPRBC-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000521852812 1072470963 /nfs/dbraw/zinc/47/09/63/1072470963.db2.gz GYHIZBMDYBPRBC-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000521852813 1072470851 /nfs/dbraw/zinc/47/08/51/1072470851.db2.gz GYHIZBMDYBPRBC-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000521852813 1072470844 /nfs/dbraw/zinc/47/08/44/1072470844.db2.gz GYHIZBMDYBPRBC-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000521879085 1072473511 /nfs/dbraw/zinc/47/35/11/1072473511.db2.gz VRTWCUFWDILBBC-DLBZAZTESA-N 1 2 430.505 -0.492 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000521879086 1072473430 /nfs/dbraw/zinc/47/34/30/1072473430.db2.gz VRTWCUFWDILBBC-IAGOWNOFSA-N 1 2 430.505 -0.492 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000521879087 1072473572 /nfs/dbraw/zinc/47/35/72/1072473572.db2.gz VRTWCUFWDILBBC-IRXDYDNUSA-N 1 2 430.505 -0.492 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000521879088 1072473634 /nfs/dbraw/zinc/47/36/34/1072473634.db2.gz VRTWCUFWDILBBC-SJORKVTESA-N 1 2 430.505 -0.492 20 0 IBADLO COC(=O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000521887579 1072472881 /nfs/dbraw/zinc/47/28/81/1072472881.db2.gz VVDAOCNPBHZHRK-HNNXBMFYSA-N 1 2 425.511 -0.262 20 0 IBADLO COC(=O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000521887583 1072472739 /nfs/dbraw/zinc/47/27/39/1072472739.db2.gz VVDAOCNPBHZHRK-OAHLLOKOSA-N 1 2 425.511 -0.262 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000521901670 1072474248 /nfs/dbraw/zinc/47/42/48/1072474248.db2.gz WAHBWMKLTSGSTG-HNNXBMFYSA-N 1 2 447.521 -0.230 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000521901670 1072474238 /nfs/dbraw/zinc/47/42/38/1072474238.db2.gz WAHBWMKLTSGSTG-HNNXBMFYSA-N 1 2 447.521 -0.230 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000521901671 1072474217 /nfs/dbraw/zinc/47/42/17/1072474217.db2.gz WAHBWMKLTSGSTG-OAHLLOKOSA-N 1 2 447.521 -0.230 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000521901671 1072474215 /nfs/dbraw/zinc/47/42/15/1072474215.db2.gz WAHBWMKLTSGSTG-OAHLLOKOSA-N 1 2 447.521 -0.230 20 0 IBADLO CCc1cccc2c1N(C(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000521905100 1072474340 /nfs/dbraw/zinc/47/43/40/1072474340.db2.gz BBWNHGYJOZXWKO-UHFFFAOYSA-N 1 2 449.577 -0.226 20 0 IBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000521938797 1072477311 /nfs/dbraw/zinc/47/73/11/1072477311.db2.gz QPLWSDKFYDCAQD-UHFFFAOYSA-N 1 2 447.540 -0.760 20 0 IBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000521938797 1072477302 /nfs/dbraw/zinc/47/73/02/1072477302.db2.gz QPLWSDKFYDCAQD-UHFFFAOYSA-N 1 2 447.540 -0.760 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000521943462 1072478029 /nfs/dbraw/zinc/47/80/29/1072478029.db2.gz BDPMZXKVLRIPDC-GOSISDBHSA-N 1 2 434.541 -0.514 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000521943463 1072478220 /nfs/dbraw/zinc/47/82/20/1072478220.db2.gz BDPMZXKVLRIPDC-SFHVURJKSA-N 1 2 434.541 -0.514 20 0 IBADLO O=C1C[C@@H]([NH+]2CCC(NS(=O)(=O)N3CCOCC3)CC2)C(=O)N1Cc1ccccc1 ZINC000522024995 1072487104 /nfs/dbraw/zinc/48/71/04/1072487104.db2.gz WXLRQRZTMBDUCQ-GOSISDBHSA-N 1 2 436.534 -0.055 20 0 IBADLO O=C1C[C@H]([NH+]2CCC(NS(=O)(=O)N3CCOCC3)CC2)C(=O)N1Cc1ccccc1 ZINC000522024996 1072487140 /nfs/dbraw/zinc/48/71/40/1072487140.db2.gz WXLRQRZTMBDUCQ-SFHVURJKSA-N 1 2 436.534 -0.055 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000522037385 1072490131 /nfs/dbraw/zinc/49/01/31/1072490131.db2.gz KFOBXXZYIBSRKG-UHFFFAOYSA-N 1 2 428.511 -0.276 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000522037385 1072490127 /nfs/dbraw/zinc/49/01/27/1072490127.db2.gz KFOBXXZYIBSRKG-UHFFFAOYSA-N 1 2 428.511 -0.276 20 0 IBADLO CCS(=O)(=O)NCCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522132641 1072498078 /nfs/dbraw/zinc/49/80/78/1072498078.db2.gz NQMCQQUJKSMEMP-UHFFFAOYSA-N 1 2 426.543 -0.251 20 0 IBADLO CS(=O)(=O)N1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000522133379 1072497835 /nfs/dbraw/zinc/49/78/35/1072497835.db2.gz QNYDJVMZUZZDRH-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO CC[NH+]1CCN(C(=O)CC2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000522162899 1072498533 /nfs/dbraw/zinc/49/85/33/1072498533.db2.gz FRGMVHHUKSDNQF-UHFFFAOYSA-N 1 2 445.630 -0.350 20 0 IBADLO CN(CCCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)S(C)(=O)=O ZINC000522165407 1072499146 /nfs/dbraw/zinc/49/91/46/1072499146.db2.gz OOFBIIOXMMZGRD-UHFFFAOYSA-N 1 2 440.566 -0.027 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000522191267 1072507508 /nfs/dbraw/zinc/50/75/08/1072507508.db2.gz PSOSYYYPULZKLW-IBGZPJMESA-N 1 2 437.585 -0.430 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000522191267 1072507495 /nfs/dbraw/zinc/50/74/95/1072507495.db2.gz PSOSYYYPULZKLW-IBGZPJMESA-N 1 2 437.585 -0.430 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000522191268 1072507436 /nfs/dbraw/zinc/50/74/36/1072507436.db2.gz PSOSYYYPULZKLW-LJQANCHMSA-N 1 2 437.585 -0.430 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000522191268 1072507429 /nfs/dbraw/zinc/50/74/29/1072507429.db2.gz PSOSYYYPULZKLW-LJQANCHMSA-N 1 2 437.585 -0.430 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000522226582 1072513981 /nfs/dbraw/zinc/51/39/81/1072513981.db2.gz HNNXEUDVTSYRID-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000522226583 1072514155 /nfs/dbraw/zinc/51/41/55/1072514155.db2.gz HNNXEUDVTSYRID-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000522241038 1072514600 /nfs/dbraw/zinc/51/46/00/1072514600.db2.gz KLHGFKSXGIGBIQ-UHFFFAOYSA-N 1 2 447.525 -0.578 20 0 IBADLO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000522272600 1072518149 /nfs/dbraw/zinc/51/81/49/1072518149.db2.gz DTEWXYVSLIQFOO-FQEVSTJZSA-N 1 2 449.577 -0.404 20 0 IBADLO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000522272601 1072518219 /nfs/dbraw/zinc/51/82/19/1072518219.db2.gz DTEWXYVSLIQFOO-HXUWFJFHSA-N 1 2 449.577 -0.404 20 0 IBADLO CC(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000522275929 1072517585 /nfs/dbraw/zinc/51/75/85/1072517585.db2.gz HSCMVEUUOOLAKJ-INIZCTEOSA-N 1 2 438.554 -0.158 20 0 IBADLO CC(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000522275930 1072517726 /nfs/dbraw/zinc/51/77/26/1072517726.db2.gz HSCMVEUUOOLAKJ-MRXNPFEDSA-N 1 2 438.554 -0.158 20 0 IBADLO CNC(=O)[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000522317580 1072520574 /nfs/dbraw/zinc/52/05/74/1072520574.db2.gz UOAMEIINJMFGMF-INIZCTEOSA-N 1 2 438.554 -0.299 20 0 IBADLO CNC(=O)[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000522317581 1072520695 /nfs/dbraw/zinc/52/06/95/1072520695.db2.gz UOAMEIINJMFGMF-MRXNPFEDSA-N 1 2 438.554 -0.299 20 0 IBADLO NS(=O)(=O)c1cnn(CCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000522386307 1072525834 /nfs/dbraw/zinc/52/58/34/1072525834.db2.gz MWCYAJJFACOIHU-UHFFFAOYSA-N 1 2 435.510 -0.829 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000522464985 1072544563 /nfs/dbraw/zinc/54/45/63/1072544563.db2.gz ZPOOXLCJGVXFDM-CALCHBBNSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000522464985 1072544551 /nfs/dbraw/zinc/54/45/51/1072544551.db2.gz ZPOOXLCJGVXFDM-CALCHBBNSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)C[C@@H](C)O1 ZINC000522464986 1072544608 /nfs/dbraw/zinc/54/46/08/1072544608.db2.gz ZPOOXLCJGVXFDM-IAGOWNOFSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)C[C@@H](C)O1 ZINC000522464986 1072544600 /nfs/dbraw/zinc/54/46/00/1072544600.db2.gz ZPOOXLCJGVXFDM-IAGOWNOFSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000522464987 1072544716 /nfs/dbraw/zinc/54/47/16/1072544716.db2.gz ZPOOXLCJGVXFDM-IRXDYDNUSA-N 1 2 447.602 -0.222 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000522464987 1072544708 /nfs/dbraw/zinc/54/47/08/1072544708.db2.gz ZPOOXLCJGVXFDM-IRXDYDNUSA-N 1 2 447.602 -0.222 20 0 IBADLO CCOC(=O)CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522566358 1072558291 /nfs/dbraw/zinc/55/82/91/1072558291.db2.gz FIWOYMQRJWXWCV-UHFFFAOYSA-N 1 2 448.567 -0.204 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000522659713 1072561228 /nfs/dbraw/zinc/56/12/28/1072561228.db2.gz HQTYJHGOIZFNBA-HNNXBMFYSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000522659713 1072561221 /nfs/dbraw/zinc/56/12/21/1072561221.db2.gz HQTYJHGOIZFNBA-HNNXBMFYSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000522659714 1072561383 /nfs/dbraw/zinc/56/13/83/1072561383.db2.gz HQTYJHGOIZFNBA-OAHLLOKOSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000522659714 1072561368 /nfs/dbraw/zinc/56/13/68/1072561368.db2.gz HQTYJHGOIZFNBA-OAHLLOKOSA-N 1 2 448.542 -0.718 20 0 IBADLO O=C(CSCC(=O)N1CCOCC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734618 1072566562 /nfs/dbraw/zinc/56/65/62/1072566562.db2.gz AGYXYXSIISLODL-UHFFFAOYSA-N 1 2 435.550 -0.172 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000522800132 1072575142 /nfs/dbraw/zinc/57/51/42/1072575142.db2.gz IICHUIJDTMZZGY-INIZCTEOSA-N 1 2 426.543 -0.109 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000522800132 1072575135 /nfs/dbraw/zinc/57/51/35/1072575135.db2.gz IICHUIJDTMZZGY-INIZCTEOSA-N 1 2 426.543 -0.109 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000522800133 1072575329 /nfs/dbraw/zinc/57/53/29/1072575329.db2.gz IICHUIJDTMZZGY-MRXNPFEDSA-N 1 2 426.543 -0.109 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000522800133 1072575316 /nfs/dbraw/zinc/57/53/16/1072575316.db2.gz IICHUIJDTMZZGY-MRXNPFEDSA-N 1 2 426.543 -0.109 20 0 IBADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000522802478 1072575724 /nfs/dbraw/zinc/57/57/24/1072575724.db2.gz SMSIGAODRQWQOT-UHFFFAOYSA-N 1 2 436.538 -0.669 20 0 IBADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522853949 1072579024 /nfs/dbraw/zinc/57/90/24/1072579024.db2.gz MUPRRWXHKZMGMZ-CYBMUJFWSA-N 1 2 449.899 -0.013 20 0 IBADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522853950 1072579110 /nfs/dbraw/zinc/57/91/10/1072579110.db2.gz MUPRRWXHKZMGMZ-ZDUSSCGKSA-N 1 2 449.899 -0.013 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000522854719 1072578754 /nfs/dbraw/zinc/57/87/54/1072578754.db2.gz YRRCOBJIZCICBK-KRWDZBQOSA-N 1 2 436.534 -0.111 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000522854720 1072579174 /nfs/dbraw/zinc/57/91/74/1072579174.db2.gz YRRCOBJIZCICBK-QGZVFWFLSA-N 1 2 436.534 -0.111 20 0 IBADLO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000522855246 1072579165 /nfs/dbraw/zinc/57/91/65/1072579165.db2.gz XIWZPEYUSMAQOO-JCYILVPMSA-N 1 2 430.571 -0.466 20 0 IBADLO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000522855247 1072579844 /nfs/dbraw/zinc/57/98/44/1072579844.db2.gz XIWZPEYUSMAQOO-OFLPRAFFSA-N 1 2 430.571 -0.466 20 0 IBADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855499 1072579093 /nfs/dbraw/zinc/57/90/93/1072579093.db2.gz FLRXXKKBDXTGEC-DLBZAZTESA-N 1 2 430.571 -0.370 20 0 IBADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855500 1072579150 /nfs/dbraw/zinc/57/91/50/1072579150.db2.gz FLRXXKKBDXTGEC-IAGOWNOFSA-N 1 2 430.571 -0.370 20 0 IBADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855501 1072579141 /nfs/dbraw/zinc/57/91/41/1072579141.db2.gz FLRXXKKBDXTGEC-IRXDYDNUSA-N 1 2 430.571 -0.370 20 0 IBADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855502 1072579184 /nfs/dbraw/zinc/57/91/84/1072579184.db2.gz FLRXXKKBDXTGEC-SJORKVTESA-N 1 2 430.571 -0.370 20 0 IBADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855509 1072579193 /nfs/dbraw/zinc/57/91/93/1072579193.db2.gz GAOHVXPAPDLFTF-MOPGFXCFSA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855510 1072579188 /nfs/dbraw/zinc/57/91/88/1072579188.db2.gz GAOHVXPAPDLFTF-OALUTQOASA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855511 1072579045 /nfs/dbraw/zinc/57/90/45/1072579045.db2.gz GAOHVXPAPDLFTF-RBUKOAKNSA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855512 1072579086 /nfs/dbraw/zinc/57/90/86/1072579086.db2.gz GAOHVXPAPDLFTF-RTBURBONSA-N 1 2 445.499 -0.046 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000522855801 1072579130 /nfs/dbraw/zinc/57/91/30/1072579130.db2.gz VXGDYQNUAUKMCZ-TZQQIIETSA-N 1 2 435.525 -0.464 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000522855802 1072579077 /nfs/dbraw/zinc/57/90/77/1072579077.db2.gz VXGDYQNUAUKMCZ-ZGOJQLDESA-N 1 2 435.525 -0.464 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000522856343 1072579763 /nfs/dbraw/zinc/57/97/63/1072579763.db2.gz UPFFAQFSBPZZAQ-HNNXBMFYSA-N 1 2 440.522 -0.734 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000522856344 1072579918 /nfs/dbraw/zinc/57/99/18/1072579918.db2.gz UPFFAQFSBPZZAQ-OAHLLOKOSA-N 1 2 440.522 -0.734 20 0 IBADLO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522857561 1072581454 /nfs/dbraw/zinc/58/14/54/1072581454.db2.gz AUTZWSXFHXOTHK-HNNXBMFYSA-N 1 2 429.477 -0.459 20 0 IBADLO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522857562 1072581491 /nfs/dbraw/zinc/58/14/91/1072581491.db2.gz AUTZWSXFHXOTHK-OAHLLOKOSA-N 1 2 429.477 -0.459 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000522857572 1072581377 /nfs/dbraw/zinc/58/13/77/1072581377.db2.gz AZNXIYQTURKFBM-KRWDZBQOSA-N 1 2 436.534 -0.210 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000522857573 1072581350 /nfs/dbraw/zinc/58/13/50/1072581350.db2.gz AZNXIYQTURKFBM-QGZVFWFLSA-N 1 2 436.534 -0.210 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000522857622 1072579928 /nfs/dbraw/zinc/57/99/28/1072579928.db2.gz FGXXBOXHWHIJEW-GOSISDBHSA-N 1 2 425.489 -0.046 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000522857623 1072579823 /nfs/dbraw/zinc/57/98/23/1072579823.db2.gz FGXXBOXHWHIJEW-SFHVURJKSA-N 1 2 425.489 -0.046 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000522859806 1072580271 /nfs/dbraw/zinc/58/02/71/1072580271.db2.gz WQWXVMQPJQOSSU-KRWDZBQOSA-N 1 2 436.534 -0.111 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000522859807 1072580401 /nfs/dbraw/zinc/58/04/01/1072580401.db2.gz WQWXVMQPJQOSSU-QGZVFWFLSA-N 1 2 436.534 -0.111 20 0 IBADLO Cc1cccn2cc(CC(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)[nH+]c12 ZINC000522860101 1072580882 /nfs/dbraw/zinc/58/08/82/1072580882.db2.gz CXWSDAAGRPDPEI-INIZCTEOSA-N 1 2 433.534 -0.367 20 0 IBADLO Cc1cccn2cc(CC(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)[nH+]c12 ZINC000522860102 1072580782 /nfs/dbraw/zinc/58/07/82/1072580782.db2.gz CXWSDAAGRPDPEI-MRXNPFEDSA-N 1 2 433.534 -0.367 20 0 IBADLO O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522901493 1072584064 /nfs/dbraw/zinc/58/40/64/1072584064.db2.gz QWUWNVZGKMBFCF-INIZCTEOSA-N 1 2 442.513 -0.457 20 0 IBADLO O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522901494 1072583992 /nfs/dbraw/zinc/58/39/92/1072583992.db2.gz QWUWNVZGKMBFCF-MRXNPFEDSA-N 1 2 442.513 -0.457 20 0 IBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522917821 1072585217 /nfs/dbraw/zinc/58/52/17/1072585217.db2.gz FUGKYCWZRGPXPW-CABCVRRESA-N 1 2 436.600 -0.903 20 0 IBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522917822 1072585201 /nfs/dbraw/zinc/58/52/01/1072585201.db2.gz FUGKYCWZRGPXPW-GJZGRUSLSA-N 1 2 436.600 -0.903 20 0 IBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522917823 1072585157 /nfs/dbraw/zinc/58/51/57/1072585157.db2.gz FUGKYCWZRGPXPW-HUUCEWRRSA-N 1 2 436.600 -0.903 20 0 IBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522917824 1072585127 /nfs/dbraw/zinc/58/51/27/1072585127.db2.gz FUGKYCWZRGPXPW-LSDHHAIUSA-N 1 2 436.600 -0.903 20 0 IBADLO COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522918381 1072585181 /nfs/dbraw/zinc/58/51/81/1072585181.db2.gz BFHQMDOZONXPJG-AZUAARDMSA-N 1 2 432.521 -0.208 20 0 IBADLO COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522918382 1072585299 /nfs/dbraw/zinc/58/52/99/1072585299.db2.gz BFHQMDOZONXPJG-ICSRJNTNSA-N 1 2 432.521 -0.208 20 0 IBADLO COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522918383 1072586132 /nfs/dbraw/zinc/58/61/32/1072586132.db2.gz BFHQMDOZONXPJG-QUCCMNQESA-N 1 2 432.521 -0.208 20 0 IBADLO COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522918384 1072585789 /nfs/dbraw/zinc/58/57/89/1072585789.db2.gz BFHQMDOZONXPJG-UYAOXDASSA-N 1 2 432.521 -0.208 20 0 IBADLO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919285 1072586013 /nfs/dbraw/zinc/58/60/13/1072586013.db2.gz PYTSDNMNYGNWDB-INIZCTEOSA-N 1 2 443.504 -0.199 20 0 IBADLO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919286 1072585739 /nfs/dbraw/zinc/58/57/39/1072585739.db2.gz PYTSDNMNYGNWDB-MRXNPFEDSA-N 1 2 443.504 -0.199 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000522919776 1072585773 /nfs/dbraw/zinc/58/57/73/1072585773.db2.gz KDUPULNXDVNXRG-INIZCTEOSA-N 1 2 429.477 -0.493 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000522919777 1072585867 /nfs/dbraw/zinc/58/58/67/1072585867.db2.gz KDUPULNXDVNXRG-MRXNPFEDSA-N 1 2 429.477 -0.493 20 0 IBADLO CN1C(=O)N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000522923395 1072586642 /nfs/dbraw/zinc/58/66/42/1072586642.db2.gz XPCKNLRXSGAABF-INIZCTEOSA-N 1 2 435.525 -0.367 20 0 IBADLO CN1C(=O)N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000522923396 1072586403 /nfs/dbraw/zinc/58/64/03/1072586403.db2.gz XPCKNLRXSGAABF-MRXNPFEDSA-N 1 2 435.525 -0.367 20 0 IBADLO CC1(C)COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522984775 1072589169 /nfs/dbraw/zinc/58/91/69/1072589169.db2.gz MOOZLIVDSONZIB-UHFFFAOYSA-N 1 2 433.575 -0.562 20 0 IBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522984775 1072589164 /nfs/dbraw/zinc/58/91/64/1072589164.db2.gz MOOZLIVDSONZIB-UHFFFAOYSA-N 1 2 433.575 -0.562 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)NCC(=O)OC)CC2)cc1 ZINC000523018515 1072605678 /nfs/dbraw/zinc/60/56/78/1072605678.db2.gz DJFRRSYAPODIPA-UHFFFAOYSA-N 1 2 441.506 -0.151 20 0 IBADLO CCc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000523063423 1072619277 /nfs/dbraw/zinc/61/92/77/1072619277.db2.gz LKYVZICRHPOCBV-UHFFFAOYSA-N 1 2 449.537 -0.416 20 0 IBADLO Cn1c(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000523108256 1072630819 /nfs/dbraw/zinc/63/08/19/1072630819.db2.gz JNDGDUVUDWPRST-UHFFFAOYSA-N 1 2 427.469 -0.674 20 0 IBADLO Cn1c(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000523108256 1072630814 /nfs/dbraw/zinc/63/08/14/1072630814.db2.gz JNDGDUVUDWPRST-UHFFFAOYSA-N 1 2 427.469 -0.674 20 0 IBADLO CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000523110627 1072631313 /nfs/dbraw/zinc/63/13/13/1072631313.db2.gz ZFPYCUPJKPEFCE-UHFFFAOYSA-N 1 2 433.498 -0.841 20 0 IBADLO COCCn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000523118598 1072631798 /nfs/dbraw/zinc/63/17/98/1072631798.db2.gz VCGPPCXMJFRGKV-UHFFFAOYSA-N 1 2 429.481 -0.282 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000523120915 1072632965 /nfs/dbraw/zinc/63/29/65/1072632965.db2.gz GLOJVMIEFVAEKH-UHFFFAOYSA-N 1 2 449.475 -0.149 20 0 IBADLO NC(=O)Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523121283 1072633013 /nfs/dbraw/zinc/63/30/13/1072633013.db2.gz WABSGWAJNVCAIR-UHFFFAOYSA-N 1 2 438.488 -0.097 20 0 IBADLO Cc1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523133711 1072634216 /nfs/dbraw/zinc/63/42/16/1072634216.db2.gz VIZPUPIYWXNOCI-UHFFFAOYSA-N 1 2 449.475 -0.420 20 0 IBADLO O=C(CCn1nc2ccccn2c1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523134641 1072633728 /nfs/dbraw/zinc/63/37/28/1072633728.db2.gz ULEVNZOKSPTJDR-UHFFFAOYSA-N 1 2 438.492 -0.139 20 0 IBADLO O=C(CCn1nc2ccccn2c1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523134641 1072633721 /nfs/dbraw/zinc/63/37/21/1072633721.db2.gz ULEVNZOKSPTJDR-UHFFFAOYSA-N 1 2 438.492 -0.139 20 0 IBADLO Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523151027 1072634787 /nfs/dbraw/zinc/63/47/87/1072634787.db2.gz LDTPTYIAIOFNFH-UHFFFAOYSA-N 1 2 427.465 -0.278 20 0 IBADLO O=C(NCCN1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523167057 1072636843 /nfs/dbraw/zinc/63/68/43/1072636843.db2.gz HSZYXZYYQDJULI-UHFFFAOYSA-N 1 2 439.542 -0.820 20 0 IBADLO O=C(NCCN1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523167057 1072636837 /nfs/dbraw/zinc/63/68/37/1072636837.db2.gz HSZYXZYYQDJULI-UHFFFAOYSA-N 1 2 439.542 -0.820 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cnccn1 ZINC000523168129 1072636885 /nfs/dbraw/zinc/63/68/85/1072636885.db2.gz KRQLTSWYZVNOHK-UHFFFAOYSA-N 1 2 441.496 -0.635 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cnccn1 ZINC000523168129 1072636880 /nfs/dbraw/zinc/63/68/80/1072636880.db2.gz KRQLTSWYZVNOHK-UHFFFAOYSA-N 1 2 441.496 -0.635 20 0 IBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NCC(F)(F)F ZINC000523170388 1072638168 /nfs/dbraw/zinc/63/81/68/1072638168.db2.gz KURANBYKBJQCFY-UHFFFAOYSA-N 1 2 431.419 -0.177 20 0 IBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)NCC(F)(F)F ZINC000523170388 1072638164 /nfs/dbraw/zinc/63/81/64/1072638164.db2.gz KURANBYKBJQCFY-UHFFFAOYSA-N 1 2 431.419 -0.177 20 0 IBADLO CN(C)CCn1ccc(=NC(=O)c2cncc(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)c2)[nH]1 ZINC000523279783 1072649115 /nfs/dbraw/zinc/64/91/15/1072649115.db2.gz MIIUYTJCKJYIRI-UHFFFAOYSA-N 1 2 439.524 -0.054 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000523293915 1072649740 /nfs/dbraw/zinc/64/97/40/1072649740.db2.gz RZIPKIIMWLKCML-DLBZAZTESA-N 1 2 444.602 -0.405 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000523293916 1072649775 /nfs/dbraw/zinc/64/97/75/1072649775.db2.gz RZIPKIIMWLKCML-IAGOWNOFSA-N 1 2 444.602 -0.405 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000523293917 1072649751 /nfs/dbraw/zinc/64/97/51/1072649751.db2.gz RZIPKIIMWLKCML-IRXDYDNUSA-N 1 2 444.602 -0.405 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000523293918 1072650319 /nfs/dbraw/zinc/65/03/19/1072650319.db2.gz RZIPKIIMWLKCML-SJORKVTESA-N 1 2 444.602 -0.405 20 0 IBADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000523314886 1072652126 /nfs/dbraw/zinc/65/21/26/1072652126.db2.gz YVVVOEZWMAJZGM-NRFANRHFSA-N 1 2 428.493 -0.043 20 0 IBADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000523314887 1072652079 /nfs/dbraw/zinc/65/20/79/1072652079.db2.gz YVVVOEZWMAJZGM-OAQYLSRUSA-N 1 2 428.493 -0.043 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523316078 1072652193 /nfs/dbraw/zinc/65/21/93/1072652193.db2.gz WOQBFZWUMJTVOO-UHFFFAOYSA-N 1 2 431.541 -0.416 20 0 IBADLO O=C(CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)NC1CC1 ZINC000523316453 1072652825 /nfs/dbraw/zinc/65/28/25/1072652825.db2.gz IONMMJSFPDDQBW-UHFFFAOYSA-N 1 2 443.552 -0.274 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523316515 1072652838 /nfs/dbraw/zinc/65/28/38/1072652838.db2.gz XTVUUITYIBDYCT-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000523378228 1072657544 /nfs/dbraw/zinc/65/75/44/1072657544.db2.gz XNWFBDYLQUEHOC-UHFFFAOYSA-N 1 2 433.498 -0.968 20 0 IBADLO CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1C ZINC000523386622 1072658225 /nfs/dbraw/zinc/65/82/25/1072658225.db2.gz AEGIGUAKUBYECT-UHFFFAOYSA-N 1 2 449.537 -0.478 20 0 IBADLO CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1C ZINC000523386622 1072658219 /nfs/dbraw/zinc/65/82/19/1072658219.db2.gz AEGIGUAKUBYECT-UHFFFAOYSA-N 1 2 449.537 -0.478 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523387631 1072658241 /nfs/dbraw/zinc/65/82/41/1072658241.db2.gz DBQFOINTFSARIZ-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523387631 1072658236 /nfs/dbraw/zinc/65/82/36/1072658236.db2.gz DBQFOINTFSARIZ-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO NC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000523388485 1072658168 /nfs/dbraw/zinc/65/81/68/1072658168.db2.gz NRTVSZHVJLCYHW-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO NC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000523388485 1072658165 /nfs/dbraw/zinc/65/81/65/1072658165.db2.gz NRTVSZHVJLCYHW-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)o1 ZINC000523396223 1072657487 /nfs/dbraw/zinc/65/74/87/1072657487.db2.gz BGLFNEYXAKVNIZ-UHFFFAOYSA-N 1 2 436.494 -0.223 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)o1 ZINC000523396223 1072657481 /nfs/dbraw/zinc/65/74/81/1072657481.db2.gz BGLFNEYXAKVNIZ-UHFFFAOYSA-N 1 2 436.494 -0.223 20 0 IBADLO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523406804 1072658136 /nfs/dbraw/zinc/65/81/36/1072658136.db2.gz RNFOSQUCRQWDNS-UHFFFAOYSA-N 1 2 437.460 -0.195 20 0 IBADLO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523406804 1072658133 /nfs/dbraw/zinc/65/81/33/1072658133.db2.gz RNFOSQUCRQWDNS-UHFFFAOYSA-N 1 2 437.460 -0.195 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cs1 ZINC000523406857 1072658145 /nfs/dbraw/zinc/65/81/45/1072658145.db2.gz WCHIJGUWXWIPGO-UHFFFAOYSA-N 1 2 438.535 -0.016 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cs1 ZINC000523406857 1072658141 /nfs/dbraw/zinc/65/81/41/1072658141.db2.gz WCHIJGUWXWIPGO-UHFFFAOYSA-N 1 2 438.535 -0.016 20 0 IBADLO CN1CC(=O)N(CCCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000523407777 1072658263 /nfs/dbraw/zinc/65/82/63/1072658263.db2.gz SOONVIOXSHUVIQ-UHFFFAOYSA-N 1 2 431.497 -0.364 20 0 IBADLO CN1CC(=O)N(CCCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000523407777 1072658260 /nfs/dbraw/zinc/65/82/60/1072658260.db2.gz SOONVIOXSHUVIQ-UHFFFAOYSA-N 1 2 431.497 -0.364 20 0 IBADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000523407838 1072658314 /nfs/dbraw/zinc/65/83/14/1072658314.db2.gz VSNBMCDVSLGSHX-UHFFFAOYSA-N 1 2 449.537 -0.146 20 0 IBADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000523407838 1072658310 /nfs/dbraw/zinc/65/83/10/1072658310.db2.gz VSNBMCDVSLGSHX-UHFFFAOYSA-N 1 2 449.537 -0.146 20 0 IBADLO O=C(CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCOCC1 ZINC000523410385 1072658983 /nfs/dbraw/zinc/65/89/83/1072658983.db2.gz NRUOAOUDLSLEBT-UHFFFAOYSA-N 1 2 433.513 -0.606 20 0 IBADLO O=C(CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCOCC1 ZINC000523410385 1072658972 /nfs/dbraw/zinc/65/89/72/1072658972.db2.gz NRUOAOUDLSLEBT-UHFFFAOYSA-N 1 2 433.513 -0.606 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523426512 1072659755 /nfs/dbraw/zinc/65/97/55/1072659755.db2.gz OMSQFVXORJQSOG-UHFFFAOYSA-N 1 2 435.510 -0.739 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523426512 1072659751 /nfs/dbraw/zinc/65/97/51/1072659751.db2.gz OMSQFVXORJQSOG-UHFFFAOYSA-N 1 2 435.510 -0.739 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448128 1072660355 /nfs/dbraw/zinc/66/03/55/1072660355.db2.gz JLVWYXYZSQXEFO-DLBZAZTESA-N 1 2 431.541 -0.452 20 0 IBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448130 1072660437 /nfs/dbraw/zinc/66/04/37/1072660437.db2.gz JLVWYXYZSQXEFO-IAGOWNOFSA-N 1 2 431.541 -0.452 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448131 1072660310 /nfs/dbraw/zinc/66/03/10/1072660310.db2.gz JLVWYXYZSQXEFO-IRXDYDNUSA-N 1 2 431.541 -0.452 20 0 IBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448132 1072660397 /nfs/dbraw/zinc/66/03/97/1072660397.db2.gz JLVWYXYZSQXEFO-SJORKVTESA-N 1 2 431.541 -0.452 20 0 IBADLO C[C@@H](NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N1CCCCC1 ZINC000523451786 1072659844 /nfs/dbraw/zinc/65/98/44/1072659844.db2.gz SAHPZRHJIRTBRN-GOSISDBHSA-N 1 2 445.568 -0.048 20 0 IBADLO C[C@H](NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N1CCCCC1 ZINC000523451787 1072659834 /nfs/dbraw/zinc/65/98/34/1072659834.db2.gz SAHPZRHJIRTBRN-SFHVURJKSA-N 1 2 445.568 -0.048 20 0 IBADLO CCN(CC(=O)NC(C)C)C(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523452184 1072659769 /nfs/dbraw/zinc/65/97/69/1072659769.db2.gz CQIPKZVAAZWRCE-UHFFFAOYSA-N 1 2 433.557 -0.192 20 0 IBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523452530 1072660412 /nfs/dbraw/zinc/66/04/12/1072660412.db2.gz RICLFGUHWQXLES-INIZCTEOSA-N 1 2 431.541 -0.452 20 0 IBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523452531 1072660345 /nfs/dbraw/zinc/66/03/45/1072660345.db2.gz RICLFGUHWQXLES-MRXNPFEDSA-N 1 2 431.541 -0.452 20 0 IBADLO NS(=O)(=O)c1cnn(CCC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000523570016 1072663857 /nfs/dbraw/zinc/66/38/57/1072663857.db2.gz HPPJRCNRYNAKLI-UHFFFAOYSA-N 1 2 437.522 -0.052 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CCC(=O)NC3=O)cc2)CC1 ZINC000523580886 1072664618 /nfs/dbraw/zinc/66/46/18/1072664618.db2.gz AIERQBBLEIREBT-UHFFFAOYSA-N 1 2 445.520 -0.170 20 0 IBADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000523607136 1072665138 /nfs/dbraw/zinc/66/51/38/1072665138.db2.gz NGCNPVDFVQCJQL-KRWDZBQOSA-N 1 2 426.558 -0.053 20 0 IBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000523607137 1072665030 /nfs/dbraw/zinc/66/50/30/1072665030.db2.gz NGCNPVDFVQCJQL-QGZVFWFLSA-N 1 2 426.558 -0.053 20 0 IBADLO COC(=O)CCCc1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000523638797 1072667660 /nfs/dbraw/zinc/66/76/60/1072667660.db2.gz DROCJRZVNLDYEE-UHFFFAOYSA-N 1 2 430.531 -0.825 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523659446 1072669628 /nfs/dbraw/zinc/66/96/28/1072669628.db2.gz WKKGEINHABGWHJ-UHFFFAOYSA-N 1 2 445.568 -0.028 20 0 IBADLO CS(=O)(=O)N1CCC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000523659753 1072669593 /nfs/dbraw/zinc/66/95/93/1072669593.db2.gz ORXCVLQCBCHRTC-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000523659754 1072669699 /nfs/dbraw/zinc/66/96/99/1072669699.db2.gz ORXCVLQCBCHRTC-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO COCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 ZINC000523664472 1072670127 /nfs/dbraw/zinc/67/01/27/1072670127.db2.gz KJOSTQMABINCII-UHFFFAOYSA-N 1 2 438.550 -0.056 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2ccnc2)nn1 ZINC000523754426 1072676933 /nfs/dbraw/zinc/67/69/33/1072676933.db2.gz YZYUDKODZSBCBE-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO CCOC(=O)CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523794026 1072684515 /nfs/dbraw/zinc/68/45/15/1072684515.db2.gz LXCDLJVOOCNBTM-UHFFFAOYSA-N 1 2 434.540 -0.594 20 0 IBADLO NS(=O)(=O)c1cnn(CCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000523848343 1072685212 /nfs/dbraw/zinc/68/52/12/1072685212.db2.gz VDOADZWRKQZSBL-UHFFFAOYSA-N 1 2 437.522 -0.052 20 0 IBADLO CC(C)NS(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523882826 1072688078 /nfs/dbraw/zinc/68/80/78/1072688078.db2.gz VHDCVXRGWYYLHJ-UHFFFAOYSA-N 1 2 426.543 -0.253 20 0 IBADLO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524041274 1072692640 /nfs/dbraw/zinc/69/26/40/1072692640.db2.gz WXUPVLJRLVBAOQ-HNNXBMFYSA-N 1 2 434.493 -0.096 20 0 IBADLO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524041275 1072692502 /nfs/dbraw/zinc/69/25/02/1072692502.db2.gz WXUPVLJRLVBAOQ-OAHLLOKOSA-N 1 2 434.493 -0.096 20 0 IBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000524041285 1072692557 /nfs/dbraw/zinc/69/25/57/1072692557.db2.gz XTBRFSJRQXVBPU-KRWDZBQOSA-N 1 2 436.534 -0.328 20 0 IBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000524041286 1072692532 /nfs/dbraw/zinc/69/25/32/1072692532.db2.gz XTBRFSJRQXVBPU-QGZVFWFLSA-N 1 2 436.534 -0.328 20 0 IBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000524051518 1072693779 /nfs/dbraw/zinc/69/37/79/1072693779.db2.gz RLDKHBCSLHPTEN-VWKPWSFCSA-N 1 2 435.525 -0.464 20 0 IBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000524051519 1072693796 /nfs/dbraw/zinc/69/37/96/1072693796.db2.gz RLDKHBCSLHPTEN-WHSLLNHNSA-N 1 2 435.525 -0.464 20 0 IBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000524051520 1072693701 /nfs/dbraw/zinc/69/37/01/1072693701.db2.gz RLDKHBCSLHPTEN-XFQAVAEZSA-N 1 2 435.525 -0.464 20 0 IBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000524051521 1072693753 /nfs/dbraw/zinc/69/37/53/1072693753.db2.gz RLDKHBCSLHPTEN-ZOCZFRKYSA-N 1 2 435.525 -0.464 20 0 IBADLO O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524051537 1072693714 /nfs/dbraw/zinc/69/37/14/1072693714.db2.gz SRUUDDYAOILKHL-GFCCVEGCSA-N 1 2 443.298 -0.179 20 0 IBADLO O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524051538 1072693808 /nfs/dbraw/zinc/69/38/08/1072693808.db2.gz SRUUDDYAOILKHL-LBPRGKRZSA-N 1 2 443.298 -0.179 20 0 IBADLO Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000524089882 1072694390 /nfs/dbraw/zinc/69/43/90/1072694390.db2.gz FRYHYLSFPCIWPB-UHFFFAOYSA-N 1 2 435.510 -0.670 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000524121192 1072695996 /nfs/dbraw/zinc/69/59/96/1072695996.db2.gz FPYYKEZUNAUNFV-BFUOFWGJSA-N 1 2 440.522 -0.004 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000524121193 1072696020 /nfs/dbraw/zinc/69/60/20/1072696020.db2.gz FPYYKEZUNAUNFV-DJJJIMSYSA-N 1 2 440.522 -0.004 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000524121194 1072696200 /nfs/dbraw/zinc/69/62/00/1072696200.db2.gz FPYYKEZUNAUNFV-ORAYPTAESA-N 1 2 440.522 -0.004 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000524121195 1072696121 /nfs/dbraw/zinc/69/61/21/1072696121.db2.gz FPYYKEZUNAUNFV-YJYMSZOUSA-N 1 2 440.522 -0.004 20 0 IBADLO COc1ccccc1C[NH+]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000524121456 1072696144 /nfs/dbraw/zinc/69/61/44/1072696144.db2.gz YAUGHYTZYBLQNS-UHFFFAOYSA-N 1 2 426.477 -0.213 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC000524127861 1072696531 /nfs/dbraw/zinc/69/65/31/1072696531.db2.gz PVWUCMCBNZZIGI-UHFFFAOYSA-N 1 2 443.504 -0.149 20 0 IBADLO COCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000524172496 1072698305 /nfs/dbraw/zinc/69/83/05/1072698305.db2.gz NVNOYGFRAQDGPB-UHFFFAOYSA-N 1 2 432.568 -0.369 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 ZINC000524251102 1072700041 /nfs/dbraw/zinc/70/00/41/1072700041.db2.gz CBTNJNWXSLYKTB-INIZCTEOSA-N 1 2 440.566 -0.174 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 ZINC000524251103 1072699794 /nfs/dbraw/zinc/69/97/94/1072699794.db2.gz CBTNJNWXSLYKTB-MRXNPFEDSA-N 1 2 440.566 -0.174 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000524289320 1072700363 /nfs/dbraw/zinc/70/03/63/1072700363.db2.gz NABZYWMJJHUBMO-HNNXBMFYSA-N 1 2 434.522 -0.037 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000524289321 1072700521 /nfs/dbraw/zinc/70/05/21/1072700521.db2.gz NABZYWMJJHUBMO-OAHLLOKOSA-N 1 2 434.522 -0.037 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000524304487 1072703023 /nfs/dbraw/zinc/70/30/23/1072703023.db2.gz QTKTXAQEAJTOIG-IBGZPJMESA-N 1 2 435.569 -0.676 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000524304487 1072703015 /nfs/dbraw/zinc/70/30/15/1072703015.db2.gz QTKTXAQEAJTOIG-IBGZPJMESA-N 1 2 435.569 -0.676 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000524304488 1072702861 /nfs/dbraw/zinc/70/28/61/1072702861.db2.gz QTKTXAQEAJTOIG-LJQANCHMSA-N 1 2 435.569 -0.676 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000524304488 1072702850 /nfs/dbraw/zinc/70/28/50/1072702850.db2.gz QTKTXAQEAJTOIG-LJQANCHMSA-N 1 2 435.569 -0.676 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCNS(C)(=O)=O)cc2)CC1 ZINC000524407930 1072707649 /nfs/dbraw/zinc/70/76/49/1072707649.db2.gz UUOMDHROSCADDX-UHFFFAOYSA-N 1 2 440.566 -0.173 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000524409366 1072707671 /nfs/dbraw/zinc/70/76/71/1072707671.db2.gz DSCBRDRINJAMQP-UHFFFAOYSA-N 1 2 440.566 -0.061 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000524419211 1072707627 /nfs/dbraw/zinc/70/76/27/1072707627.db2.gz OPQSGLPGQLYBCD-INIZCTEOSA-N 1 2 427.571 -0.369 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC000524419212 1072707424 /nfs/dbraw/zinc/70/74/24/1072707424.db2.gz OPQSGLPGQLYBCD-MRXNPFEDSA-N 1 2 427.571 -0.369 20 0 IBADLO C[C@@H](C(=O)NCc1ccccc1F)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524485895 1072710000 /nfs/dbraw/zinc/71/00/00/1072710000.db2.gz PXRHOTQNNLRMOZ-INIZCTEOSA-N 1 2 427.546 -0.060 20 0 IBADLO C[C@H](C(=O)NCc1ccccc1F)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524485896 1072710188 /nfs/dbraw/zinc/71/01/88/1072710188.db2.gz PXRHOTQNNLRMOZ-MRXNPFEDSA-N 1 2 427.546 -0.060 20 0 IBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2)[nH]1 ZINC000524495951 1072711727 /nfs/dbraw/zinc/71/17/27/1072711727.db2.gz BNOJMFVEVRMNAS-UHFFFAOYSA-N 1 2 429.477 -0.273 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524568544 1072713375 /nfs/dbraw/zinc/71/33/75/1072713375.db2.gz XPJRATYXHBKGGR-KRWDZBQOSA-N 1 2 438.550 -0.287 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524568545 1072713449 /nfs/dbraw/zinc/71/34/49/1072713449.db2.gz XPJRATYXHBKGGR-QGZVFWFLSA-N 1 2 438.550 -0.287 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000524569096 1072714451 /nfs/dbraw/zinc/71/44/51/1072714451.db2.gz AFYCWOCCSVIYHA-RBUKOAKNSA-N 1 2 430.505 -0.537 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000524569098 1072714480 /nfs/dbraw/zinc/71/44/80/1072714480.db2.gz AFYCWOCCSVIYHA-RTBURBONSA-N 1 2 430.505 -0.537 20 0 IBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569202 1072714731 /nfs/dbraw/zinc/71/47/31/1072714731.db2.gz DXWCWVVHIOATCM-DLBZAZTESA-N 1 2 430.571 -0.370 20 0 IBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569203 1072714586 /nfs/dbraw/zinc/71/45/86/1072714586.db2.gz DXWCWVVHIOATCM-IAGOWNOFSA-N 1 2 430.571 -0.370 20 0 IBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569204 1072714528 /nfs/dbraw/zinc/71/45/28/1072714528.db2.gz DXWCWVVHIOATCM-IRXDYDNUSA-N 1 2 430.571 -0.370 20 0 IBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569205 1072714548 /nfs/dbraw/zinc/71/45/48/1072714548.db2.gz DXWCWVVHIOATCM-SJORKVTESA-N 1 2 430.571 -0.370 20 0 IBADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569367 1072713019 /nfs/dbraw/zinc/71/30/19/1072713019.db2.gz HPNBGJMFZJUHPA-CYBMUJFWSA-N 1 2 430.552 -0.339 20 0 IBADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569368 1072712926 /nfs/dbraw/zinc/71/29/26/1072712926.db2.gz HPNBGJMFZJUHPA-ZDUSSCGKSA-N 1 2 430.552 -0.339 20 0 IBADLO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000524587634 1072714133 /nfs/dbraw/zinc/71/41/33/1072714133.db2.gz VAOZHOVXEXKDID-INIZCTEOSA-N 1 2 447.579 -0.046 20 0 IBADLO C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000524587635 1072713938 /nfs/dbraw/zinc/71/39/38/1072713938.db2.gz VAOZHOVXEXKDID-MRXNPFEDSA-N 1 2 447.579 -0.046 20 0 IBADLO O=C(CNC(=O)c1ccccn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524606114 1072716243 /nfs/dbraw/zinc/71/62/43/1072716243.db2.gz OSJPAJQSDDIFEX-UHFFFAOYSA-N 1 2 432.506 -0.525 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000524640869 1072717828 /nfs/dbraw/zinc/71/78/28/1072717828.db2.gz WMDMVLVUZXGZOZ-UHFFFAOYSA-N 1 2 430.512 -0.991 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000524674733 1072719503 /nfs/dbraw/zinc/71/95/03/1072719503.db2.gz NMNGVWPZEMUBTE-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000524682164 1072719536 /nfs/dbraw/zinc/71/95/36/1072719536.db2.gz MAPDUSZRPZOTNC-INIZCTEOSA-N 1 2 443.460 -0.843 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000524682165 1072719525 /nfs/dbraw/zinc/71/95/25/1072719525.db2.gz MAPDUSZRPZOTNC-MRXNPFEDSA-N 1 2 443.460 -0.843 20 0 IBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000524696305 1072721162 /nfs/dbraw/zinc/72/11/62/1072721162.db2.gz CXGFMMRUEBXOFH-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000524696305 1072721157 /nfs/dbraw/zinc/72/11/57/1072721157.db2.gz CXGFMMRUEBXOFH-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000524696306 1072721059 /nfs/dbraw/zinc/72/10/59/1072721059.db2.gz CXGFMMRUEBXOFH-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000524696306 1072721054 /nfs/dbraw/zinc/72/10/54/1072721054.db2.gz CXGFMMRUEBXOFH-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000524713896 1072722011 /nfs/dbraw/zinc/72/20/11/1072722011.db2.gz AFYCWOCCSVIYHA-MOPGFXCFSA-N 1 2 430.505 -0.537 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000524713897 1072722021 /nfs/dbraw/zinc/72/20/21/1072722021.db2.gz AFYCWOCCSVIYHA-OALUTQOASA-N 1 2 430.505 -0.537 20 0 IBADLO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000524766672 1072722809 /nfs/dbraw/zinc/72/28/09/1072722809.db2.gz WPIJLMLFYBPENE-MOPGFXCFSA-N 1 2 428.599 -0.496 20 0 IBADLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000524766673 1072722819 /nfs/dbraw/zinc/72/28/19/1072722819.db2.gz WPIJLMLFYBPENE-OALUTQOASA-N 1 2 428.599 -0.496 20 0 IBADLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000524766674 1072722842 /nfs/dbraw/zinc/72/28/42/1072722842.db2.gz WPIJLMLFYBPENE-RBUKOAKNSA-N 1 2 428.599 -0.496 20 0 IBADLO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000524766675 1072722946 /nfs/dbraw/zinc/72/29/46/1072722946.db2.gz WPIJLMLFYBPENE-RTBURBONSA-N 1 2 428.599 -0.496 20 0 IBADLO CS[C@@H](CO)[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524832375 1072725101 /nfs/dbraw/zinc/72/51/01/1072725101.db2.gz VFCOQMJDNOWLEE-CABCVRRESA-N 1 2 431.584 -0.055 20 0 IBADLO CS[C@@H](CO)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524832376 1072725060 /nfs/dbraw/zinc/72/50/60/1072725060.db2.gz VFCOQMJDNOWLEE-GJZGRUSLSA-N 1 2 431.584 -0.055 20 0 IBADLO CS[C@H](CO)[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524832377 1072725035 /nfs/dbraw/zinc/72/50/35/1072725035.db2.gz VFCOQMJDNOWLEE-HUUCEWRRSA-N 1 2 431.584 -0.055 20 0 IBADLO CS[C@H](CO)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524832378 1072725048 /nfs/dbraw/zinc/72/50/48/1072725048.db2.gz VFCOQMJDNOWLEE-LSDHHAIUSA-N 1 2 431.584 -0.055 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524832745 1072725159 /nfs/dbraw/zinc/72/51/59/1072725159.db2.gz DHNUXVMSHXTCCT-UHFFFAOYSA-N 1 2 434.522 -0.243 20 0 IBADLO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524833036 1072725147 /nfs/dbraw/zinc/72/51/47/1072725147.db2.gz UICNILAZVRJJEG-UHFFFAOYSA-N 1 2 439.567 -0.198 20 0 IBADLO COc1cc(C(=O)NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc(OC)c1OC ZINC000524858981 1072726107 /nfs/dbraw/zinc/72/61/07/1072726107.db2.gz MPEUZRFNLIZPDZ-UHFFFAOYSA-N 1 2 432.481 -0.122 20 0 IBADLO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[NH+]1CCN(C)CC1 ZINC000524874520 1072727088 /nfs/dbraw/zinc/72/70/88/1072727088.db2.gz RLMKDZSSQHLHNF-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[NH+]1CCN(C)CC1 ZINC000524874521 1072727011 /nfs/dbraw/zinc/72/70/11/1072727011.db2.gz RLMKDZSSQHLHNF-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO COCC(=O)N[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000524939429 1072728685 /nfs/dbraw/zinc/72/86/85/1072728685.db2.gz DPTIQIRXZDYVRC-SFHVURJKSA-N 1 2 441.554 -0.563 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cn1 ZINC000524974706 1072730427 /nfs/dbraw/zinc/73/04/27/1072730427.db2.gz FEEFXTRTYVMNRB-UHFFFAOYSA-N 1 2 428.559 -0.017 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)cn1 ZINC000524981816 1072730073 /nfs/dbraw/zinc/73/00/73/1072730073.db2.gz WQKKRVRUROGALS-UHFFFAOYSA-N 1 2 428.559 -0.017 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)cn1 ZINC000524981816 1072730065 /nfs/dbraw/zinc/73/00/65/1072730065.db2.gz WQKKRVRUROGALS-UHFFFAOYSA-N 1 2 428.559 -0.017 20 0 IBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000525008431 1072731502 /nfs/dbraw/zinc/73/15/02/1072731502.db2.gz FRAFBIFVNPHRML-UHFFFAOYSA-N 1 2 444.539 -0.730 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 ZINC000525008956 1072731707 /nfs/dbraw/zinc/73/17/07/1072731707.db2.gz RFUBDHZLGBVMDT-UHFFFAOYSA-N 1 2 437.526 -0.074 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000525010849 1072732290 /nfs/dbraw/zinc/73/22/90/1072732290.db2.gz MHKGXMYJESTSRM-UHFFFAOYSA-N 1 2 430.512 -0.991 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC000525012841 1072732223 /nfs/dbraw/zinc/73/22/23/1072732223.db2.gz JGUTYGMHITYLLF-UHFFFAOYSA-N 1 2 429.524 -0.235 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525059938 1072733777 /nfs/dbraw/zinc/73/37/77/1072733777.db2.gz NMWTVSPMYPCVFD-MOPGFXCFSA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525059944 1072733725 /nfs/dbraw/zinc/73/37/25/1072733725.db2.gz NMWTVSPMYPCVFD-OALUTQOASA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525059945 1072733808 /nfs/dbraw/zinc/73/38/08/1072733808.db2.gz NMWTVSPMYPCVFD-RBUKOAKNSA-N 1 2 444.532 -0.037 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525059948 1072733918 /nfs/dbraw/zinc/73/39/18/1072733918.db2.gz NMWTVSPMYPCVFD-RTBURBONSA-N 1 2 444.532 -0.037 20 0 IBADLO CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000525070348 1072736425 /nfs/dbraw/zinc/73/64/25/1072736425.db2.gz URBNZOLENRKVJS-GOSISDBHSA-N 1 2 438.550 -0.211 20 0 IBADLO CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000525070349 1072736465 /nfs/dbraw/zinc/73/64/65/1072736465.db2.gz URBNZOLENRKVJS-SFHVURJKSA-N 1 2 438.550 -0.211 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000525084843 1072735806 /nfs/dbraw/zinc/73/58/06/1072735806.db2.gz CMTLDWBEUCUCTF-INIZCTEOSA-N 1 2 436.534 -0.336 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000525084844 1072735876 /nfs/dbraw/zinc/73/58/76/1072735876.db2.gz CMTLDWBEUCUCTF-MRXNPFEDSA-N 1 2 436.534 -0.336 20 0 IBADLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000525177175 1072739469 /nfs/dbraw/zinc/73/94/69/1072739469.db2.gz TVFBLAZIOULCJO-HNNXBMFYSA-N 1 2 449.533 -0.016 20 0 IBADLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000525177176 1072739554 /nfs/dbraw/zinc/73/95/54/1072739554.db2.gz TVFBLAZIOULCJO-OAHLLOKOSA-N 1 2 449.533 -0.016 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000525179589 1072740129 /nfs/dbraw/zinc/74/01/29/1072740129.db2.gz UKZRMZWFBJRJSE-UHFFFAOYSA-N 1 2 440.566 -0.031 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000525179848 1072740218 /nfs/dbraw/zinc/74/02/18/1072740218.db2.gz WUODQBJGAJVXOU-HNNXBMFYSA-N 1 2 426.539 -0.106 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000525179849 1072740102 /nfs/dbraw/zinc/74/01/02/1072740102.db2.gz WUODQBJGAJVXOU-OAHLLOKOSA-N 1 2 426.539 -0.106 20 0 IBADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525249699 1073363402 /nfs/dbraw/zinc/36/34/02/1073363402.db2.gz KBXHGALEFZKBCP-HNNXBMFYSA-N 1 2 430.513 -0.695 20 0 IBADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525249700 1072742499 /nfs/dbraw/zinc/74/24/99/1072742499.db2.gz KBXHGALEFZKBCP-OAHLLOKOSA-N 1 2 430.513 -0.695 20 0 IBADLO COc1cc(CNC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc(OC)c1OC ZINC000525329366 1072746939 /nfs/dbraw/zinc/74/69/39/1072746939.db2.gz YSXUKRFRUZYGSG-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(CNC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc(OC)c1OC ZINC000525329366 1072746936 /nfs/dbraw/zinc/74/69/36/1072746936.db2.gz YSXUKRFRUZYGSG-CYBMUJFWSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(CNC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc(OC)c1OC ZINC000525329367 1072747392 /nfs/dbraw/zinc/74/73/92/1072747392.db2.gz YSXUKRFRUZYGSG-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO COc1cc(CNC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc(OC)c1OC ZINC000525329367 1072747384 /nfs/dbraw/zinc/74/73/84/1072747384.db2.gz YSXUKRFRUZYGSG-ZDUSSCGKSA-N 1 2 430.527 -0.166 20 0 IBADLO O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000525341161 1072749659 /nfs/dbraw/zinc/74/96/59/1072749659.db2.gz FBPALHPZYWTCFC-UHFFFAOYSA-N 1 2 432.550 -0.034 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000525375599 1072751438 /nfs/dbraw/zinc/75/14/38/1072751438.db2.gz WAEMULAERJOZMG-UHFFFAOYSA-N 1 2 434.522 -0.007 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000525388216 1072751803 /nfs/dbraw/zinc/75/18/03/1072751803.db2.gz PZNBHNGIJZDDQE-UHFFFAOYSA-N 1 2 433.556 -0.800 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000525388216 1072751798 /nfs/dbraw/zinc/75/17/98/1072751798.db2.gz PZNBHNGIJZDDQE-UHFFFAOYSA-N 1 2 433.556 -0.800 20 0 IBADLO O=C(Cn1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1)N1CCOCC1 ZINC000525417512 1072753765 /nfs/dbraw/zinc/75/37/65/1072753765.db2.gz KCIVGOLBQCJVSX-UHFFFAOYSA-N 1 2 432.485 -0.085 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000525431933 1072753412 /nfs/dbraw/zinc/75/34/12/1072753412.db2.gz LWZQFMOZCDZNLQ-UHFFFAOYSA-N 1 2 443.570 -0.044 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000525431933 1072753403 /nfs/dbraw/zinc/75/34/03/1072753403.db2.gz LWZQFMOZCDZNLQ-UHFFFAOYSA-N 1 2 443.570 -0.044 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(Nc3nc(NCCO)c4ccccc4[nH+]3)CC2)cn1 ZINC000525460447 1072756233 /nfs/dbraw/zinc/75/62/33/1072756233.db2.gz BHBLXJFYHZIMKI-UHFFFAOYSA-N 1 2 431.522 -0.124 20 0 IBADLO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000525487664 1072757686 /nfs/dbraw/zinc/75/76/86/1072757686.db2.gz MPUXZJJPICONLT-GOSISDBHSA-N 1 2 430.505 -0.371 20 0 IBADLO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000525487665 1072757407 /nfs/dbraw/zinc/75/74/07/1072757407.db2.gz MPUXZJJPICONLT-SFHVURJKSA-N 1 2 430.505 -0.371 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cn1 ZINC000525521568 1072759060 /nfs/dbraw/zinc/75/90/60/1072759060.db2.gz ILCFZUWWRKOEKQ-UHFFFAOYSA-N 1 2 429.524 -0.235 20 0 IBADLO Cn1c2ccc(S(=O)(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cc2n(C)c1=O ZINC000525527858 1072759098 /nfs/dbraw/zinc/75/90/98/1072759098.db2.gz QGPQWBRYRZUPDU-UHFFFAOYSA-N 1 2 435.510 -0.448 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000525532624 1072759944 /nfs/dbraw/zinc/75/99/44/1072759944.db2.gz YCQDIXDKHOLTMS-UHFFFAOYSA-N 1 2 444.539 -0.730 20 0 IBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000525633694 1072765090 /nfs/dbraw/zinc/76/50/90/1072765090.db2.gz NXFPAYHQYIHFMI-UHFFFAOYSA-N 1 2 441.506 -0.214 20 0 IBADLO CCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000525642561 1071165520 /nfs/dbraw/zinc/16/55/20/1071165520.db2.gz IQYDEXYQYXPYNX-UHFFFAOYSA-N 1 2 434.588 -0.682 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000525692406 1072770306 /nfs/dbraw/zinc/77/03/06/1072770306.db2.gz QBLVDLNLVOJDMN-KRWDZBQOSA-N 1 2 436.600 -0.855 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000525692407 1072770043 /nfs/dbraw/zinc/77/00/43/1072770043.db2.gz QBLVDLNLVOJDMN-QGZVFWFLSA-N 1 2 436.600 -0.855 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000525693057 1072770828 /nfs/dbraw/zinc/77/08/28/1072770828.db2.gz FPJXWVUGZDLDIT-UHFFFAOYSA-N 1 2 436.490 -0.195 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)o1 ZINC000525693065 1071218853 /nfs/dbraw/zinc/21/88/53/1071218853.db2.gz JQALKGXEIDVGGU-UHFFFAOYSA-N 1 2 428.511 -0.192 20 0 IBADLO O=C(COCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)N1CCC[C@H]1CN1CCOCC1 ZINC000525718903 1071312699 /nfs/dbraw/zinc/31/26/99/1071312699.db2.gz OMTBPQUROIFPHU-PMACEKPBSA-N 1 2 438.569 -0.351 20 0 IBADLO O=C(COCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000525718904 1072771584 /nfs/dbraw/zinc/77/15/84/1072771584.db2.gz OMTBPQUROIFPHU-WOJBJXKFSA-N 1 2 438.569 -0.351 20 0 IBADLO CC(C)(C)C(=O)NCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525758140 1072771936 /nfs/dbraw/zinc/77/19/36/1072771936.db2.gz KOBFWPUTWSWPNP-UHFFFAOYSA-N 1 2 440.570 -0.005 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000525901409 1072780836 /nfs/dbraw/zinc/78/08/36/1072780836.db2.gz GDABSONLGQTQEF-HNNXBMFYSA-N 1 2 429.477 -0.567 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000525901410 1072780772 /nfs/dbraw/zinc/78/07/72/1072780772.db2.gz GDABSONLGQTQEF-OAHLLOKOSA-N 1 2 429.477 -0.567 20 0 IBADLO COCCCN(CCO)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527085855 1072799453 /nfs/dbraw/zinc/79/94/53/1072799453.db2.gz SYJLOFVNCVUAMY-UHFFFAOYSA-N 1 2 429.543 -0.426 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000527096900 1072799953 /nfs/dbraw/zinc/79/99/53/1072799953.db2.gz NCKSCXBRTVYEJU-UHFFFAOYSA-N 1 2 432.481 -0.658 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000527097580 1074357198 /nfs/dbraw/zinc/35/71/98/1074357198.db2.gz CBYMQZIYRCXLBA-UHFFFAOYSA-N 1 2 432.481 -0.658 20 0 IBADLO CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000527143484 1072801620 /nfs/dbraw/zinc/80/16/20/1072801620.db2.gz FUFZCXHNUMGLEU-HNNXBMFYSA-N 1 2 427.523 -0.041 20 0 IBADLO CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000527143485 1072801509 /nfs/dbraw/zinc/80/15/09/1072801509.db2.gz FUFZCXHNUMGLEU-OAHLLOKOSA-N 1 2 427.523 -0.041 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000527326671 1072804790 /nfs/dbraw/zinc/80/47/90/1072804790.db2.gz SRCBJCNNVSGJSK-UHFFFAOYSA-N 1 2 447.536 -0.907 20 0 IBADLO C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000527368054 1072805911 /nfs/dbraw/zinc/80/59/11/1072805911.db2.gz YAPGMKIUFJITON-CYBMUJFWSA-N 1 2 443.492 -0.484 20 0 IBADLO C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000527368055 1072805930 /nfs/dbraw/zinc/80/59/30/1072805930.db2.gz YAPGMKIUFJITON-ZDUSSCGKSA-N 1 2 443.492 -0.484 20 0 IBADLO C[C@H]1CS(=O)(=O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527504322 1072809447 /nfs/dbraw/zinc/80/94/47/1072809447.db2.gz OIMUMFCUWIBOFE-HNNXBMFYSA-N 1 2 445.567 -0.638 20 0 IBADLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527504323 1072809325 /nfs/dbraw/zinc/80/93/25/1072809325.db2.gz OIMUMFCUWIBOFE-OAHLLOKOSA-N 1 2 445.567 -0.638 20 0 IBADLO CCS(=O)(=O)N1CCN(c2nc(N3CCN(S(=O)(=O)CC)CC3)c(C)c[nH+]2)CC1 ZINC000530648277 1072828545 /nfs/dbraw/zinc/82/85/45/1072828545.db2.gz FSVMYTSZPMJQIA-UHFFFAOYSA-N 1 2 446.599 -0.272 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000530720190 1072829920 /nfs/dbraw/zinc/82/99/20/1072829920.db2.gz XDCNHNCCKQSDKX-INIZCTEOSA-N 1 2 443.522 -0.707 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000530720203 1072829762 /nfs/dbraw/zinc/82/97/62/1072829762.db2.gz XDCNHNCCKQSDKX-MRXNPFEDSA-N 1 2 443.522 -0.707 20 0 IBADLO Cc1cccc2c1N(C(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000530733784 1072830684 /nfs/dbraw/zinc/83/06/84/1072830684.db2.gz ZAGWFFOPWHPGIR-UHFFFAOYSA-N 1 2 435.550 -0.479 20 0 IBADLO Cc1c[nH+]c(N2CCCN(S(C)(=O)=O)CC2)nc1N1CCCN(S(C)(=O)=O)CC1 ZINC000530886803 1072833678 /nfs/dbraw/zinc/83/36/78/1072833678.db2.gz UZYCMPHHZRGOMC-UHFFFAOYSA-N 1 2 446.599 -0.272 20 0 IBADLO Cn1c2ncn(CCC(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)c2c(=O)n(C)c1=O ZINC000531019398 1072834917 /nfs/dbraw/zinc/83/49/17/1072834917.db2.gz NGPYLOQAODNMKJ-UHFFFAOYSA-N 1 2 426.477 -0.126 20 0 IBADLO CCN(CC)S(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531049766 1072835857 /nfs/dbraw/zinc/83/58/57/1072835857.db2.gz KCRNRVMUNKIMGA-UHFFFAOYSA-N 1 2 447.583 -0.679 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000531049799 1072835687 /nfs/dbraw/zinc/83/56/87/1072835687.db2.gz MCTSHWIQPWDVDK-UHFFFAOYSA-N 1 2 435.506 -0.405 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000531056158 1072836174 /nfs/dbraw/zinc/83/61/74/1072836174.db2.gz TYXSRXQIVVRODQ-UHFFFAOYSA-N 1 2 443.526 -0.941 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000531056158 1072836158 /nfs/dbraw/zinc/83/61/58/1072836158.db2.gz TYXSRXQIVVRODQ-UHFFFAOYSA-N 1 2 443.526 -0.941 20 0 IBADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000531060737 1072835167 /nfs/dbraw/zinc/83/51/67/1072835167.db2.gz RKLTVMKXSFQTKV-CRAIPNDOSA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000531060737 1072835156 /nfs/dbraw/zinc/83/51/56/1072835156.db2.gz RKLTVMKXSFQTKV-CRAIPNDOSA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000531060738 1072835057 /nfs/dbraw/zinc/83/50/57/1072835057.db2.gz RKLTVMKXSFQTKV-MAUKXSAKSA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000531060738 1072835043 /nfs/dbraw/zinc/83/50/43/1072835043.db2.gz RKLTVMKXSFQTKV-MAUKXSAKSA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000531060739 1072835205 /nfs/dbraw/zinc/83/52/05/1072835205.db2.gz RKLTVMKXSFQTKV-QAPCUYQASA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000531060739 1072835197 /nfs/dbraw/zinc/83/51/97/1072835197.db2.gz RKLTVMKXSFQTKV-QAPCUYQASA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000531060740 1072835543 /nfs/dbraw/zinc/83/55/43/1072835543.db2.gz RKLTVMKXSFQTKV-YJBOKZPZSA-N 1 2 440.570 -0.074 20 0 IBADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000531060740 1072835532 /nfs/dbraw/zinc/83/55/32/1072835532.db2.gz RKLTVMKXSFQTKV-YJBOKZPZSA-N 1 2 440.570 -0.074 20 0 IBADLO CCNC(=O)COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000531122901 1071167002 /nfs/dbraw/zinc/16/70/02/1071167002.db2.gz XSTFLOFATBJENA-GOSISDBHSA-N 1 2 432.521 -0.002 20 0 IBADLO CCNC(=O)COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000531122902 1072837515 /nfs/dbraw/zinc/83/75/15/1072837515.db2.gz XSTFLOFATBJENA-SFHVURJKSA-N 1 2 432.521 -0.002 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2nc(N3CCC[C@H](S(=O)(=O)NC)C3)[nH+]cc2C)C1 ZINC000531253339 1072839082 /nfs/dbraw/zinc/83/90/82/1072839082.db2.gz CVVKDGQIPBUTFP-CABCVRRESA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(c2nc(N3CCC[C@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000531253341 1072839589 /nfs/dbraw/zinc/83/95/89/1072839589.db2.gz CVVKDGQIPBUTFP-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2nc(N3CCC[C@@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000531253343 1072839447 /nfs/dbraw/zinc/83/94/47/1072839447.db2.gz CVVKDGQIPBUTFP-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2nc(N3CCC[C@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000531253346 1072839572 /nfs/dbraw/zinc/83/95/72/1072839572.db2.gz CVVKDGQIPBUTFP-LSDHHAIUSA-N 1 2 446.599 -0.179 20 0 IBADLO CCN(CC)S(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000531300863 1072840675 /nfs/dbraw/zinc/84/06/75/1072840675.db2.gz VYPQRCWXARROJZ-UHFFFAOYSA-N 1 2 426.543 -0.367 20 0 IBADLO CCN(CC)S(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000531300863 1072840664 /nfs/dbraw/zinc/84/06/64/1072840664.db2.gz VYPQRCWXARROJZ-UHFFFAOYSA-N 1 2 426.543 -0.367 20 0 IBADLO CS(=O)(=O)N1CCC(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000531316054 1072841293 /nfs/dbraw/zinc/84/12/93/1072841293.db2.gz DTZOYRXDEMPYBT-UHFFFAOYSA-N 1 2 438.554 -0.157 20 0 IBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000531364385 1072841843 /nfs/dbraw/zinc/84/18/43/1072841843.db2.gz XRBFCHJELWMQHR-UHFFFAOYSA-N 1 2 440.570 -0.647 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000531488790 1072843324 /nfs/dbraw/zinc/84/33/24/1072843324.db2.gz PMKWPDIBJOECAE-UHFFFAOYSA-N 1 2 431.584 -0.780 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000531496376 1073303468 /nfs/dbraw/zinc/30/34/68/1073303468.db2.gz ACQNBVVIBLYYMR-UHFFFAOYSA-N 1 2 427.509 -0.152 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000531523662 1072843849 /nfs/dbraw/zinc/84/38/49/1072843849.db2.gz PGMVSBZTQHXYNS-UHFFFAOYSA-N 1 2 434.522 -0.082 20 0 IBADLO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531637836 1072845954 /nfs/dbraw/zinc/84/59/54/1072845954.db2.gz VTOQQLTUAHNFIP-CVEARBPZSA-N 1 2 435.477 -0.548 20 0 IBADLO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531637837 1072846482 /nfs/dbraw/zinc/84/64/82/1072846482.db2.gz VTOQQLTUAHNFIP-HOTGVXAUSA-N 1 2 435.477 -0.548 20 0 IBADLO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531637838 1072846216 /nfs/dbraw/zinc/84/62/16/1072846216.db2.gz VTOQQLTUAHNFIP-HZPDHXFCSA-N 1 2 435.477 -0.548 20 0 IBADLO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531637839 1072846304 /nfs/dbraw/zinc/84/63/04/1072846304.db2.gz VTOQQLTUAHNFIP-JKSUJKDBSA-N 1 2 435.477 -0.548 20 0 IBADLO CCOc1cccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000531647291 1072846351 /nfs/dbraw/zinc/84/63/51/1072846351.db2.gz AZGDFBPJIBNEJQ-UHFFFAOYSA-N 1 2 439.582 -0.189 20 0 IBADLO COCc1cccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000531647633 1072846279 /nfs/dbraw/zinc/84/62/79/1072846279.db2.gz IPMDJUVKFUWGMA-UHFFFAOYSA-N 1 2 439.582 -0.441 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000531668508 1072846897 /nfs/dbraw/zinc/84/68/97/1072846897.db2.gz KQKUQNSMTHOUEC-CVEARBPZSA-N 1 2 444.492 -0.670 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000531668509 1072847007 /nfs/dbraw/zinc/84/70/07/1072847007.db2.gz KQKUQNSMTHOUEC-HOTGVXAUSA-N 1 2 444.492 -0.670 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000531668510 1072846796 /nfs/dbraw/zinc/84/67/96/1072846796.db2.gz KQKUQNSMTHOUEC-HZPDHXFCSA-N 1 2 444.492 -0.670 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000531668511 1072846913 /nfs/dbraw/zinc/84/69/13/1072846913.db2.gz KQKUQNSMTHOUEC-JKSUJKDBSA-N 1 2 444.492 -0.670 20 0 IBADLO COCc1ccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000531901980 1072850869 /nfs/dbraw/zinc/85/08/69/1072850869.db2.gz KUHDQTFFRIYDOU-UHFFFAOYSA-N 1 2 439.582 -0.441 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531921759 1072851154 /nfs/dbraw/zinc/85/11/54/1072851154.db2.gz WZHXIWBZRHOTOD-DLBZAZTESA-N 1 2 431.493 -0.400 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531921772 1072851094 /nfs/dbraw/zinc/85/10/94/1072851094.db2.gz WZHXIWBZRHOTOD-IAGOWNOFSA-N 1 2 431.493 -0.400 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531921774 1072851053 /nfs/dbraw/zinc/85/10/53/1072851053.db2.gz WZHXIWBZRHOTOD-IRXDYDNUSA-N 1 2 431.493 -0.400 20 0 IBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531921776 1072850936 /nfs/dbraw/zinc/85/09/36/1072850936.db2.gz WZHXIWBZRHOTOD-SJORKVTESA-N 1 2 431.493 -0.400 20 0 IBADLO NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000531998163 1072852274 /nfs/dbraw/zinc/85/22/74/1072852274.db2.gz WTZQVXIWUWSLMX-CVEARBPZSA-N 1 2 438.554 -0.123 20 0 IBADLO NC(=O)[C@H]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000531998164 1072851908 /nfs/dbraw/zinc/85/19/08/1072851908.db2.gz WTZQVXIWUWSLMX-HOTGVXAUSA-N 1 2 438.554 -0.123 20 0 IBADLO NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000531998165 1072851995 /nfs/dbraw/zinc/85/19/95/1072851995.db2.gz WTZQVXIWUWSLMX-HZPDHXFCSA-N 1 2 438.554 -0.123 20 0 IBADLO NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000531998166 1072852108 /nfs/dbraw/zinc/85/21/08/1072852108.db2.gz WTZQVXIWUWSLMX-JKSUJKDBSA-N 1 2 438.554 -0.123 20 0 IBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000532153065 1072855126 /nfs/dbraw/zinc/85/51/26/1072855126.db2.gz QAHXWQMKXYYPFY-UHFFFAOYSA-N 1 2 440.632 -0.044 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000532153977 1072855197 /nfs/dbraw/zinc/85/51/97/1072855197.db2.gz CDLQGLIMIAFZDF-KRWDZBQOSA-N 1 2 432.587 -0.124 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000532153977 1072855182 /nfs/dbraw/zinc/85/51/82/1072855182.db2.gz CDLQGLIMIAFZDF-KRWDZBQOSA-N 1 2 432.587 -0.124 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000532153984 1072855263 /nfs/dbraw/zinc/85/52/63/1072855263.db2.gz CDLQGLIMIAFZDF-QGZVFWFLSA-N 1 2 432.587 -0.124 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000532153984 1072855248 /nfs/dbraw/zinc/85/52/48/1072855248.db2.gz CDLQGLIMIAFZDF-QGZVFWFLSA-N 1 2 432.587 -0.124 20 0 IBADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532157762 1072855335 /nfs/dbraw/zinc/85/53/35/1072855335.db2.gz QOVPIPNUPGFWPK-MOPGFXCFSA-N 1 2 445.630 -0.192 20 0 IBADLO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532157763 1072855884 /nfs/dbraw/zinc/85/58/84/1072855884.db2.gz QOVPIPNUPGFWPK-OALUTQOASA-N 1 2 445.630 -0.192 20 0 IBADLO C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532157764 1072855817 /nfs/dbraw/zinc/85/58/17/1072855817.db2.gz QOVPIPNUPGFWPK-RBUKOAKNSA-N 1 2 445.630 -0.192 20 0 IBADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532157765 1072855658 /nfs/dbraw/zinc/85/56/58/1072855658.db2.gz QOVPIPNUPGFWPK-RTBURBONSA-N 1 2 445.630 -0.192 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)S(C)(=O)=O ZINC000532157873 1072855087 /nfs/dbraw/zinc/85/50/87/1072855087.db2.gz YZXNPHUWKRANIG-UHFFFAOYSA-N 1 2 445.630 -0.207 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)S(C)(=O)=O ZINC000532157873 1072855076 /nfs/dbraw/zinc/85/50/76/1072855076.db2.gz YZXNPHUWKRANIG-UHFFFAOYSA-N 1 2 445.630 -0.207 20 0 IBADLO COC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000532164574 1072856485 /nfs/dbraw/zinc/85/64/85/1072856485.db2.gz YHNAWZQCFAWJSY-UHFFFAOYSA-N 1 2 432.433 -0.075 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000532164727 1072856562 /nfs/dbraw/zinc/85/65/62/1072856562.db2.gz RDUKKOVRWIQENB-UHFFFAOYSA-N 1 2 438.506 -0.050 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000532178358 1074360794 /nfs/dbraw/zinc/36/07/94/1074360794.db2.gz TYBILLOIRABUJC-DLBZAZTESA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000532178359 1074360783 /nfs/dbraw/zinc/36/07/83/1074360783.db2.gz TYBILLOIRABUJC-IAGOWNOFSA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000532178360 1074360804 /nfs/dbraw/zinc/36/08/04/1074360804.db2.gz TYBILLOIRABUJC-IRXDYDNUSA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000532178361 1074360909 /nfs/dbraw/zinc/36/09/09/1074360909.db2.gz TYBILLOIRABUJC-SJORKVTESA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000532178977 1072856652 /nfs/dbraw/zinc/85/66/52/1072856652.db2.gz FXSPUZZWJRWLCG-MSOLQXFVSA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000532178978 1072856692 /nfs/dbraw/zinc/85/66/92/1072856692.db2.gz FXSPUZZWJRWLCG-QZTJIDSGSA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000532178979 1072856332 /nfs/dbraw/zinc/85/63/32/1072856332.db2.gz FXSPUZZWJRWLCG-ROUUACIJSA-N 1 2 448.524 -0.560 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000532178980 1072856363 /nfs/dbraw/zinc/85/63/63/1072856363.db2.gz FXSPUZZWJRWLCG-ZWKOTPCHSA-N 1 2 448.524 -0.560 20 0 IBADLO Cc1oc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1S(N)(=O)=O ZINC000532298919 1072857895 /nfs/dbraw/zinc/85/78/95/1072857895.db2.gz NXANKNLIMLEAOM-UHFFFAOYSA-N 1 2 436.494 -0.176 20 0 IBADLO Cc1oc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1S(N)(=O)=O ZINC000532298919 1072857886 /nfs/dbraw/zinc/85/78/86/1072857886.db2.gz NXANKNLIMLEAOM-UHFFFAOYSA-N 1 2 436.494 -0.176 20 0 IBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000532310048 1072858380 /nfs/dbraw/zinc/85/83/80/1072858380.db2.gz QNTIPTBGVFSDAT-UHFFFAOYSA-N 1 2 427.509 -0.152 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O)S(C)(=O)=O ZINC000532407513 1072873372 /nfs/dbraw/zinc/87/33/72/1072873372.db2.gz GIKAWZLYSLASOY-HNNXBMFYSA-N 1 2 426.605 -0.434 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O)S(C)(=O)=O ZINC000532407513 1072873360 /nfs/dbraw/zinc/87/33/60/1072873360.db2.gz GIKAWZLYSLASOY-HNNXBMFYSA-N 1 2 426.605 -0.434 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O)S(C)(=O)=O ZINC000532407514 1072873417 /nfs/dbraw/zinc/87/34/17/1072873417.db2.gz GIKAWZLYSLASOY-OAHLLOKOSA-N 1 2 426.605 -0.434 20 0 IBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O)S(C)(=O)=O ZINC000532407514 1072873403 /nfs/dbraw/zinc/87/34/03/1072873403.db2.gz GIKAWZLYSLASOY-OAHLLOKOSA-N 1 2 426.605 -0.434 20 0 IBADLO COCc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532411834 1072873921 /nfs/dbraw/zinc/87/39/21/1072873921.db2.gz KCBUCTGTGGPBHX-UHFFFAOYSA-N 1 2 439.582 -0.441 20 0 IBADLO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000532415674 1072874850 /nfs/dbraw/zinc/87/48/50/1072874850.db2.gz HQUVJTIBUHCFJK-GOSISDBHSA-N 1 2 431.541 -0.438 20 0 IBADLO CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000532415678 1072875055 /nfs/dbraw/zinc/87/50/55/1072875055.db2.gz HQUVJTIBUHCFJK-SFHVURJKSA-N 1 2 431.541 -0.438 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000532469176 1072878373 /nfs/dbraw/zinc/87/83/73/1072878373.db2.gz SKCGODBJBRQRSF-UHFFFAOYSA-N 1 2 435.525 -0.461 20 0 IBADLO Cc1csc2nc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc(=O)n12 ZINC000532469852 1072878409 /nfs/dbraw/zinc/87/84/09/1072878409.db2.gz ODLBUSIJQWCZED-UHFFFAOYSA-N 1 2 426.568 -0.326 20 0 IBADLO CCC[N@@H+](CC(=O)NC)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532484302 1072879435 /nfs/dbraw/zinc/87/94/35/1072879435.db2.gz PJPWIUNDBLLGGU-UHFFFAOYSA-N 1 2 426.539 -0.218 20 0 IBADLO CCC[N@H+](CC(=O)NC)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532484302 1072879425 /nfs/dbraw/zinc/87/94/25/1072879425.db2.gz PJPWIUNDBLLGGU-UHFFFAOYSA-N 1 2 426.539 -0.218 20 0 IBADLO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@H](O)C[NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000532488812 1072879245 /nfs/dbraw/zinc/87/92/45/1072879245.db2.gz CTERRHAPTSHUGG-AWEZNQCLSA-N 1 2 425.511 -0.732 20 0 IBADLO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@@H](O)C[NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000532488813 1072879339 /nfs/dbraw/zinc/87/93/39/1072879339.db2.gz CTERRHAPTSHUGG-CQSZACIVSA-N 1 2 425.511 -0.732 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000532519883 1072879992 /nfs/dbraw/zinc/87/99/92/1072879992.db2.gz VHTOAPFOCOJOPS-GOSISDBHSA-N 1 2 438.550 -0.294 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000532519883 1072879981 /nfs/dbraw/zinc/87/99/81/1072879981.db2.gz VHTOAPFOCOJOPS-GOSISDBHSA-N 1 2 438.550 -0.294 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000532519884 1072879725 /nfs/dbraw/zinc/87/97/25/1072879725.db2.gz VHTOAPFOCOJOPS-SFHVURJKSA-N 1 2 438.550 -0.294 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000532519884 1072879713 /nfs/dbraw/zinc/87/97/13/1072879713.db2.gz VHTOAPFOCOJOPS-SFHVURJKSA-N 1 2 438.550 -0.294 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000532551804 1072880447 /nfs/dbraw/zinc/88/04/47/1072880447.db2.gz UBNXBVRFLMWORO-INIZCTEOSA-N 1 2 439.520 -0.054 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000532551806 1072880383 /nfs/dbraw/zinc/88/03/83/1072880383.db2.gz UBNXBVRFLMWORO-MRXNPFEDSA-N 1 2 439.520 -0.054 20 0 IBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532567775 1072881409 /nfs/dbraw/zinc/88/14/09/1072881409.db2.gz YKMRZQGLXPZVRO-MOPGFXCFSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532567810 1072881739 /nfs/dbraw/zinc/88/17/39/1072881739.db2.gz YKMRZQGLXPZVRO-OALUTQOASA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532567811 1072881442 /nfs/dbraw/zinc/88/14/42/1072881442.db2.gz YKMRZQGLXPZVRO-RBUKOAKNSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532567812 1072881554 /nfs/dbraw/zinc/88/15/54/1072881554.db2.gz YKMRZQGLXPZVRO-RTBURBONSA-N 1 2 434.541 -0.087 20 0 IBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000532572218 1072881657 /nfs/dbraw/zinc/88/16/57/1072881657.db2.gz BQPTVRIXLPIOIX-GFCCVEGCSA-N 1 2 431.497 -0.887 20 0 IBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000532572269 1072882152 /nfs/dbraw/zinc/88/21/52/1072882152.db2.gz BQPTVRIXLPIOIX-LBPRGKRZSA-N 1 2 431.497 -0.887 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000532577411 1072882236 /nfs/dbraw/zinc/88/22/36/1072882236.db2.gz MELPWQGQEUJUFS-AWEZNQCLSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000532577411 1072882222 /nfs/dbraw/zinc/88/22/22/1072882222.db2.gz MELPWQGQEUJUFS-AWEZNQCLSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000532577523 1072882096 /nfs/dbraw/zinc/88/20/96/1072882096.db2.gz MELPWQGQEUJUFS-CQSZACIVSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000532577523 1072882088 /nfs/dbraw/zinc/88/20/88/1072882088.db2.gz MELPWQGQEUJUFS-CQSZACIVSA-N 1 2 448.542 -0.718 20 0 IBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000532595480 1072883263 /nfs/dbraw/zinc/88/32/63/1072883263.db2.gz SAAOPLHWSPJQTQ-UHFFFAOYSA-N 1 2 430.513 -0.768 20 0 IBADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000532595937 1072883386 /nfs/dbraw/zinc/88/33/86/1072883386.db2.gz YEPQGQZMIQOBOL-UHFFFAOYSA-N 1 2 446.483 -0.232 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCc2ccccc21 ZINC000532596286 1072883156 /nfs/dbraw/zinc/88/31/56/1072883156.db2.gz VYAXUOKUJBMWAZ-UHFFFAOYSA-N 1 2 426.477 -0.141 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000532607622 1072884605 /nfs/dbraw/zinc/88/46/05/1072884605.db2.gz RRFZUVLEKHMSBC-AWEZNQCLSA-N 1 2 446.430 -0.177 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000532607630 1072884829 /nfs/dbraw/zinc/88/48/29/1072884829.db2.gz RRFZUVLEKHMSBC-CQSZACIVSA-N 1 2 446.430 -0.177 20 0 IBADLO CN(CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)S(C)(=O)=O ZINC000532657027 1072888408 /nfs/dbraw/zinc/88/84/08/1072888408.db2.gz BBAYRRSZMMUDQG-UHFFFAOYSA-N 1 2 446.595 -0.173 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532659188 1072888848 /nfs/dbraw/zinc/88/88/48/1072888848.db2.gz SRZWEEWQOKAGPJ-KBPBESRZSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532659188 1072888840 /nfs/dbraw/zinc/88/88/40/1072888840.db2.gz SRZWEEWQOKAGPJ-KBPBESRZSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532659189 1072888783 /nfs/dbraw/zinc/88/87/83/1072888783.db2.gz SRZWEEWQOKAGPJ-KGLIPLIRSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532659189 1072888773 /nfs/dbraw/zinc/88/87/73/1072888773.db2.gz SRZWEEWQOKAGPJ-KGLIPLIRSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000532659190 1072888994 /nfs/dbraw/zinc/88/89/94/1072888994.db2.gz SRZWEEWQOKAGPJ-UONOGXRCSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000532659190 1072888983 /nfs/dbraw/zinc/88/89/83/1072888983.db2.gz SRZWEEWQOKAGPJ-UONOGXRCSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000532659191 1072888908 /nfs/dbraw/zinc/88/89/08/1072888908.db2.gz SRZWEEWQOKAGPJ-ZIAGYGMSSA-N 1 2 444.579 -0.127 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000532659191 1072888896 /nfs/dbraw/zinc/88/88/96/1072888896.db2.gz SRZWEEWQOKAGPJ-ZIAGYGMSSA-N 1 2 444.579 -0.127 20 0 IBADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000532665853 1072889931 /nfs/dbraw/zinc/88/99/31/1072889931.db2.gz YSTREJXWRQSVPA-INIZCTEOSA-N 1 2 445.538 -0.318 20 0 IBADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000532665854 1072890086 /nfs/dbraw/zinc/89/00/86/1072890086.db2.gz YSTREJXWRQSVPA-MRXNPFEDSA-N 1 2 445.538 -0.318 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1N1CCCC1=O ZINC000532705686 1072895807 /nfs/dbraw/zinc/89/58/07/1072895807.db2.gz JAGHTALQKQKCNG-AEFFLSMTSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1N1CCCC1=O ZINC000532705688 1072895744 /nfs/dbraw/zinc/89/57/44/1072895744.db2.gz JAGHTALQKQKCNG-FUHWJXTLSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1N1CCCC1=O ZINC000532705689 1072895772 /nfs/dbraw/zinc/89/57/72/1072895772.db2.gz JAGHTALQKQKCNG-SJLPKXTDSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1N1CCCC1=O ZINC000532705692 1072895594 /nfs/dbraw/zinc/89/55/94/1072895594.db2.gz JAGHTALQKQKCNG-WMZOPIPTSA-N 1 2 436.534 -0.161 20 0 IBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000532708871 1072897847 /nfs/dbraw/zinc/89/78/47/1072897847.db2.gz IYQIWDRZXPDYLK-BPUTZDHNSA-N 1 2 425.507 -0.128 20 0 IBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000532708872 1072897897 /nfs/dbraw/zinc/89/78/97/1072897897.db2.gz IYQIWDRZXPDYLK-CWRNSKLLSA-N 1 2 425.507 -0.128 20 0 IBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000532708873 1072897929 /nfs/dbraw/zinc/89/79/29/1072897929.db2.gz IYQIWDRZXPDYLK-IMJJTQAJSA-N 1 2 425.507 -0.128 20 0 IBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000532708874 1072897914 /nfs/dbraw/zinc/89/79/14/1072897914.db2.gz IYQIWDRZXPDYLK-NUEKZKHPSA-N 1 2 425.507 -0.128 20 0 IBADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532710233 1072898248 /nfs/dbraw/zinc/89/82/48/1072898248.db2.gz AAMSUOHSICYQPE-DOTOQJQBSA-N 1 2 436.534 -0.162 20 0 IBADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532710234 1072898289 /nfs/dbraw/zinc/89/82/89/1072898289.db2.gz AAMSUOHSICYQPE-NVXWUHKLSA-N 1 2 436.534 -0.162 20 0 IBADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532710235 1072898529 /nfs/dbraw/zinc/89/85/29/1072898529.db2.gz AAMSUOHSICYQPE-RDJZCZTQSA-N 1 2 436.534 -0.162 20 0 IBADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532710236 1072898451 /nfs/dbraw/zinc/89/84/51/1072898451.db2.gz AAMSUOHSICYQPE-WBVHZDCISA-N 1 2 436.534 -0.162 20 0 IBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532710995 1072897975 /nfs/dbraw/zinc/89/79/75/1072897975.db2.gz CJYZAFCZUCLUBL-MSOLQXFVSA-N 1 2 438.550 -0.521 20 0 IBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532710997 1072897637 /nfs/dbraw/zinc/89/76/37/1072897637.db2.gz CJYZAFCZUCLUBL-QZTJIDSGSA-N 1 2 438.550 -0.521 20 0 IBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532711000 1072897699 /nfs/dbraw/zinc/89/76/99/1072897699.db2.gz CJYZAFCZUCLUBL-ROUUACIJSA-N 1 2 438.550 -0.521 20 0 IBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532711002 1072897723 /nfs/dbraw/zinc/89/77/23/1072897723.db2.gz CJYZAFCZUCLUBL-ZWKOTPCHSA-N 1 2 438.550 -0.521 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000532719248 1072900246 /nfs/dbraw/zinc/90/02/46/1072900246.db2.gz WEXDRQXGTAIOHH-HNNXBMFYSA-N 1 2 433.538 -0.337 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000532719249 1072900260 /nfs/dbraw/zinc/90/02/60/1072900260.db2.gz WEXDRQXGTAIOHH-OAHLLOKOSA-N 1 2 433.538 -0.337 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(=O)(=O)NC)C3)cc2)CC1 ZINC000532750513 1072902200 /nfs/dbraw/zinc/90/22/00/1072902200.db2.gz XLIUQHFQLGXGHQ-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(=O)(=O)NC)C3)cc2)CC1 ZINC000532750514 1072902215 /nfs/dbraw/zinc/90/22/15/1072902215.db2.gz XLIUQHFQLGXGHQ-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO CCNC(=O)CN1CCN(c2cc(N3CCN(CC(=O)NCC)CC3)[nH+]c(C)n2)CC1 ZINC000532780586 1072904808 /nfs/dbraw/zinc/90/48/08/1072904808.db2.gz VGJWYVRFOPTRRO-UHFFFAOYSA-N 1 2 432.573 -0.699 20 0 IBADLO Cc1nn(C)c(C)c1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000532817059 1072906550 /nfs/dbraw/zinc/90/65/50/1072906550.db2.gz TZGUACNUTHYAKI-UHFFFAOYSA-N 1 2 449.537 -0.361 20 0 IBADLO COc1cccc(C(=O)N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000532898649 1072909414 /nfs/dbraw/zinc/90/94/14/1072909414.db2.gz FCQGYTCPENRCHW-UHFFFAOYSA-N 1 2 426.477 -0.100 20 0 IBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000532914391 1072909273 /nfs/dbraw/zinc/90/92/73/1072909273.db2.gz BUUIDXSTIOESMP-CABCVRRESA-N 1 2 432.550 -0.014 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000532914395 1072909394 /nfs/dbraw/zinc/90/93/94/1072909394.db2.gz BUUIDXSTIOESMP-GJZGRUSLSA-N 1 2 432.550 -0.014 20 0 IBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000532914396 1072909343 /nfs/dbraw/zinc/90/93/43/1072909343.db2.gz BUUIDXSTIOESMP-HUUCEWRRSA-N 1 2 432.550 -0.014 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000532914397 1072909250 /nfs/dbraw/zinc/90/92/50/1072909250.db2.gz BUUIDXSTIOESMP-LSDHHAIUSA-N 1 2 432.550 -0.014 20 0 IBADLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532917440 1072910423 /nfs/dbraw/zinc/91/04/23/1072910423.db2.gz DZEZCAASPOLJQQ-HNNXBMFYSA-N 1 2 439.538 -0.148 20 0 IBADLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532917441 1072910358 /nfs/dbraw/zinc/91/03/58/1072910358.db2.gz DZEZCAASPOLJQQ-OAHLLOKOSA-N 1 2 439.538 -0.148 20 0 IBADLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532917452 1072910334 /nfs/dbraw/zinc/91/03/34/1072910334.db2.gz ICXZYYDJKHDZAY-INIZCTEOSA-N 1 2 444.602 -0.357 20 0 IBADLO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532917453 1072910554 /nfs/dbraw/zinc/91/05/54/1072910554.db2.gz ICXZYYDJKHDZAY-MRXNPFEDSA-N 1 2 444.602 -0.357 20 0 IBADLO COC(=O)C1(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000532917677 1072910462 /nfs/dbraw/zinc/91/04/62/1072910462.db2.gz KPVSOLLPTVIMON-UHFFFAOYSA-N 1 2 445.586 -0.912 20 0 IBADLO COC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000532918039 1072911060 /nfs/dbraw/zinc/91/10/60/1072911060.db2.gz UWGVLPPMRVIRQO-UHFFFAOYSA-N 1 2 439.538 -0.479 20 0 IBADLO COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000532918439 1072911192 /nfs/dbraw/zinc/91/11/92/1072911192.db2.gz XMVYVBSXOSVKRO-UHFFFAOYSA-N 1 2 439.538 -0.479 20 0 IBADLO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000532921544 1072911086 /nfs/dbraw/zinc/91/10/86/1072911086.db2.gz YBINDWMOWULDHJ-UHFFFAOYSA-N 1 2 437.522 -0.571 20 0 IBADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532921969 1072911745 /nfs/dbraw/zinc/91/17/45/1072911745.db2.gz ZIBIASBXKQNKKY-UHFFFAOYSA-N 1 2 426.539 -0.089 20 0 IBADLO CCCC[N@H+](CC(N)=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532921969 1072911744 /nfs/dbraw/zinc/91/17/44/1072911744.db2.gz ZIBIASBXKQNKKY-UHFFFAOYSA-N 1 2 426.539 -0.089 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)Cc4ccccc4F)CC3)c2c(=O)n(C)c1=O ZINC000532927795 1072909997 /nfs/dbraw/zinc/90/99/97/1072909997.db2.gz NRMONUZLPVUCOQ-UHFFFAOYSA-N 1 2 428.468 -0.040 20 0 IBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000532927876 1072909844 /nfs/dbraw/zinc/90/98/44/1072909844.db2.gz VNBCMYMRCTWUKL-UHFFFAOYSA-N 1 2 425.467 -0.746 20 0 IBADLO CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+](CCO)CCO ZINC000532949604 1072911730 /nfs/dbraw/zinc/91/17/30/1072911730.db2.gz IXXVJODDQXCIDH-UHFFFAOYSA-N 1 2 445.538 -0.280 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960851 1072912797 /nfs/dbraw/zinc/91/27/97/1072912797.db2.gz IJNSQBQYSBUFMT-KBPBESRZSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960851 1072912789 /nfs/dbraw/zinc/91/27/89/1072912789.db2.gz IJNSQBQYSBUFMT-KBPBESRZSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960852 1072912702 /nfs/dbraw/zinc/91/27/02/1072912702.db2.gz IJNSQBQYSBUFMT-KGLIPLIRSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960852 1072912698 /nfs/dbraw/zinc/91/26/98/1072912698.db2.gz IJNSQBQYSBUFMT-KGLIPLIRSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960853 1072912780 /nfs/dbraw/zinc/91/27/80/1072912780.db2.gz IJNSQBQYSBUFMT-UONOGXRCSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960853 1072912773 /nfs/dbraw/zinc/91/27/73/1072912773.db2.gz IJNSQBQYSBUFMT-UONOGXRCSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960854 1072913257 /nfs/dbraw/zinc/91/32/57/1072913257.db2.gz IJNSQBQYSBUFMT-ZIAGYGMSSA-N 1 2 447.583 -0.231 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960854 1072913253 /nfs/dbraw/zinc/91/32/53/1072913253.db2.gz IJNSQBQYSBUFMT-ZIAGYGMSSA-N 1 2 447.583 -0.231 20 0 IBADLO O=C(CN1C(=O)CCC1=O)N1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000532966310 1072912163 /nfs/dbraw/zinc/91/21/63/1072912163.db2.gz BXNKYIGOXPYIKQ-UHFFFAOYSA-N 1 2 447.561 -0.315 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(=O)[nH]c1=O ZINC000532970264 1072912659 /nfs/dbraw/zinc/91/26/59/1072912659.db2.gz FFNMYNKSIUDWBG-UHFFFAOYSA-N 1 2 447.496 -0.764 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCc2ccccc21 ZINC000532995323 1073320342 /nfs/dbraw/zinc/32/03/42/1073320342.db2.gz CWOKATUJKHIEPT-UHFFFAOYSA-N 1 2 426.477 -0.141 20 0 IBADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000532995712 1073321138 /nfs/dbraw/zinc/32/11/38/1073321138.db2.gz NSRSKUUZKJREGS-UHFFFAOYSA-N 1 2 446.483 -0.232 20 0 IBADLO O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000532996282 1072913923 /nfs/dbraw/zinc/91/39/23/1072913923.db2.gz XXABMGSCDOZCCJ-UHFFFAOYSA-N 1 2 428.449 -0.122 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)NCCc1ccccc1 ZINC000532997866 1073320281 /nfs/dbraw/zinc/32/02/81/1073320281.db2.gz CPSIIBDXKQWENC-UHFFFAOYSA-N 1 2 428.493 -0.371 20 0 IBADLO Cc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)no1 ZINC000532998485 1072913861 /nfs/dbraw/zinc/91/38/61/1072913861.db2.gz ITNBTMDVCGDLNI-UHFFFAOYSA-N 1 2 431.497 -0.205 20 0 IBADLO Cn1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)cn1 ZINC000532998888 1072913823 /nfs/dbraw/zinc/91/38/23/1072913823.db2.gz ITWXMMZUAQNZLN-UHFFFAOYSA-N 1 2 430.513 -0.768 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)[NH+]1CCOCC1 ZINC000533022040 1072915035 /nfs/dbraw/zinc/91/50/35/1072915035.db2.gz BGTVYNLSCXOOSG-UHFFFAOYSA-N 1 2 425.555 -0.385 20 0 IBADLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000533029611 1072916509 /nfs/dbraw/zinc/91/65/09/1072916509.db2.gz LLDTYPZKMWMEBD-GOSISDBHSA-N 1 2 438.550 -0.308 20 0 IBADLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000533029612 1072916482 /nfs/dbraw/zinc/91/64/82/1072916482.db2.gz LLDTYPZKMWMEBD-SFHVURJKSA-N 1 2 438.550 -0.308 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)N1CCOCC1 ZINC000533054519 1072916453 /nfs/dbraw/zinc/91/64/53/1072916453.db2.gz HOWKFRCSWJHCCC-UHFFFAOYSA-N 1 2 438.506 -0.427 20 0 IBADLO NC(=O)NC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000533055041 1072916427 /nfs/dbraw/zinc/91/64/27/1072916427.db2.gz FOGZIUACRZBEAH-UHFFFAOYSA-N 1 2 425.467 -0.701 20 0 IBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533055143 1072917029 /nfs/dbraw/zinc/91/70/29/1072917029.db2.gz GJEDBIFMCJOKOH-INIZCTEOSA-N 1 2 426.525 -0.108 20 0 IBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533055144 1072917040 /nfs/dbraw/zinc/91/70/40/1072917040.db2.gz GJEDBIFMCJOKOH-MRXNPFEDSA-N 1 2 426.525 -0.108 20 0 IBADLO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@H](O)C[NH+]4CCOCC4)CC3)cc2N1 ZINC000533055437 1072916556 /nfs/dbraw/zinc/91/65/56/1072916556.db2.gz GOQFIKMOQFWZBF-HNNXBMFYSA-N 1 2 440.522 -0.983 20 0 IBADLO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@@H](O)C[NH+]4CCOCC4)CC3)cc2N1 ZINC000533055439 1072916540 /nfs/dbraw/zinc/91/65/40/1072916540.db2.gz GOQFIKMOQFWZBF-OAHLLOKOSA-N 1 2 440.522 -0.983 20 0 IBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000533056837 1072917050 /nfs/dbraw/zinc/91/70/50/1072917050.db2.gz HKAMDPAWXCTCGL-BPUTZDHNSA-N 1 2 445.563 -0.496 20 0 IBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000533056840 1072917155 /nfs/dbraw/zinc/91/71/55/1072917155.db2.gz HKAMDPAWXCTCGL-CWRNSKLLSA-N 1 2 445.563 -0.496 20 0 IBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000533056842 1072917010 /nfs/dbraw/zinc/91/70/10/1072917010.db2.gz HKAMDPAWXCTCGL-IMJJTQAJSA-N 1 2 445.563 -0.496 20 0 IBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000533056843 1072917108 /nfs/dbraw/zinc/91/71/08/1072917108.db2.gz HKAMDPAWXCTCGL-NUEKZKHPSA-N 1 2 445.563 -0.496 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533059475 1072919027 /nfs/dbraw/zinc/91/90/27/1072919027.db2.gz JHIKUZWBXUWGMN-KRWDZBQOSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533059475 1072919023 /nfs/dbraw/zinc/91/90/23/1072919023.db2.gz JHIKUZWBXUWGMN-KRWDZBQOSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533059476 1072919104 /nfs/dbraw/zinc/91/91/04/1072919104.db2.gz JHIKUZWBXUWGMN-QGZVFWFLSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533059476 1072919097 /nfs/dbraw/zinc/91/90/97/1072919097.db2.gz JHIKUZWBXUWGMN-QGZVFWFLSA-N 1 2 444.579 -0.467 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059529 1072919651 /nfs/dbraw/zinc/91/96/51/1072919651.db2.gz MBTBUTWWSUITJS-BBRMVZONSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059529 1072919644 /nfs/dbraw/zinc/91/96/44/1072919644.db2.gz MBTBUTWWSUITJS-BBRMVZONSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059530 1072919523 /nfs/dbraw/zinc/91/95/23/1072919523.db2.gz MBTBUTWWSUITJS-CJNGLKHVSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059530 1072919512 /nfs/dbraw/zinc/91/95/12/1072919512.db2.gz MBTBUTWWSUITJS-CJNGLKHVSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059531 1072919597 /nfs/dbraw/zinc/91/95/97/1072919597.db2.gz MBTBUTWWSUITJS-CZUORRHYSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059531 1072919590 /nfs/dbraw/zinc/91/95/90/1072919590.db2.gz MBTBUTWWSUITJS-CZUORRHYSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059532 1072919484 /nfs/dbraw/zinc/91/94/84/1072919484.db2.gz MBTBUTWWSUITJS-XJKSGUPXSA-N 1 2 432.568 -0.605 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533059532 1072919478 /nfs/dbraw/zinc/91/94/78/1072919478.db2.gz MBTBUTWWSUITJS-XJKSGUPXSA-N 1 2 432.568 -0.605 20 0 IBADLO O=C(CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000533059900 1072919550 /nfs/dbraw/zinc/91/95/50/1072919550.db2.gz WRGXGWNXRQVVBR-CVEARBPZSA-N 1 2 446.476 -0.893 20 0 IBADLO O=C(CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000533059901 1072919575 /nfs/dbraw/zinc/91/95/75/1072919575.db2.gz WRGXGWNXRQVVBR-HOTGVXAUSA-N 1 2 446.476 -0.893 20 0 IBADLO O=C(CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000533059902 1072919697 /nfs/dbraw/zinc/91/96/97/1072919697.db2.gz WRGXGWNXRQVVBR-HZPDHXFCSA-N 1 2 446.476 -0.893 20 0 IBADLO O=C(CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000533059903 1072919620 /nfs/dbraw/zinc/91/96/20/1072919620.db2.gz WRGXGWNXRQVVBR-JKSUJKDBSA-N 1 2 446.476 -0.893 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000533060359 1072919958 /nfs/dbraw/zinc/91/99/58/1072919958.db2.gz FYDLIVCQISVDGT-MSOLQXFVSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000533060368 1072919971 /nfs/dbraw/zinc/91/99/71/1072919971.db2.gz FYDLIVCQISVDGT-QZTJIDSGSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000533060370 1072919999 /nfs/dbraw/zinc/91/99/99/1072919999.db2.gz FYDLIVCQISVDGT-ROUUACIJSA-N 1 2 436.534 -0.161 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000533060373 1072920110 /nfs/dbraw/zinc/92/01/10/1072920110.db2.gz FYDLIVCQISVDGT-ZWKOTPCHSA-N 1 2 436.534 -0.161 20 0 IBADLO CCN(C1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1)S(C)(=O)=O ZINC000533060470 1072919943 /nfs/dbraw/zinc/91/99/43/1072919943.db2.gz GHCWMHLECJOBTD-UHFFFAOYSA-N 1 2 426.539 -0.087 20 0 IBADLO COc1ccc(C(=O)NCCN2CC[NH+](CC(=O)N3CCN(C(C)=O)CC3)CC2)cc1 ZINC000533061529 1072920618 /nfs/dbraw/zinc/92/06/18/1072920618.db2.gz RGWMLOIFXHLXTI-UHFFFAOYSA-N 1 2 431.537 -0.267 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000533061658 1072920668 /nfs/dbraw/zinc/92/06/68/1072920668.db2.gz NTQWGBSEKRGZGT-MSOLQXFVSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000533061659 1072921152 /nfs/dbraw/zinc/92/11/52/1072921152.db2.gz NTQWGBSEKRGZGT-QZTJIDSGSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000533061660 1072921030 /nfs/dbraw/zinc/92/10/30/1072921030.db2.gz NTQWGBSEKRGZGT-ROUUACIJSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000533061661 1072921301 /nfs/dbraw/zinc/92/13/01/1072921301.db2.gz NTQWGBSEKRGZGT-ZWKOTPCHSA-N 1 2 436.534 -0.395 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533086796 1072923696 /nfs/dbraw/zinc/92/36/96/1072923696.db2.gz UAXWCYJRDABNLY-KRWDZBQOSA-N 1 2 444.579 -0.716 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533086796 1072923691 /nfs/dbraw/zinc/92/36/91/1072923691.db2.gz UAXWCYJRDABNLY-KRWDZBQOSA-N 1 2 444.579 -0.716 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533086797 1072923613 /nfs/dbraw/zinc/92/36/13/1072923613.db2.gz UAXWCYJRDABNLY-QGZVFWFLSA-N 1 2 444.579 -0.716 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533086797 1072923600 /nfs/dbraw/zinc/92/36/00/1072923600.db2.gz UAXWCYJRDABNLY-QGZVFWFLSA-N 1 2 444.579 -0.716 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)[nH+]c(C)n1 ZINC000533101478 1072923090 /nfs/dbraw/zinc/92/30/90/1072923090.db2.gz QSYYHQHOIZMRKJ-GASCZTMLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)nc(C)[nH+]1 ZINC000533101478 1072923086 /nfs/dbraw/zinc/92/30/86/1072923086.db2.gz QSYYHQHOIZMRKJ-GASCZTMLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)[nH+]c(C)n1 ZINC000533101479 1072923038 /nfs/dbraw/zinc/92/30/38/1072923038.db2.gz QSYYHQHOIZMRKJ-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@@H]2CS(=O)(=O)NC)[nH+]c(C)n1 ZINC000533101480 1072923162 /nfs/dbraw/zinc/92/31/62/1072923162.db2.gz QSYYHQHOIZMRKJ-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)[nH+]c(C)n2)C1 ZINC000533101556 1072922939 /nfs/dbraw/zinc/92/29/39/1072922939.db2.gz VLMXYFIZBPSLCH-GASCZTMLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)nc(C)[nH+]2)C1 ZINC000533101556 1072922929 /nfs/dbraw/zinc/92/29/29/1072922929.db2.gz VLMXYFIZBPSLCH-GASCZTMLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)[nH+]c(C)n2)C1 ZINC000533101557 1072923119 /nfs/dbraw/zinc/92/31/19/1072923119.db2.gz VLMXYFIZBPSLCH-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H](S(=O)(=O)NC)C3)[nH+]c(C)n2)C1 ZINC000533101558 1072923009 /nfs/dbraw/zinc/92/30/09/1072923009.db2.gz VLMXYFIZBPSLCH-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000533133588 1072924113 /nfs/dbraw/zinc/92/41/13/1072924113.db2.gz XUAOOJMIRITNMX-UHFFFAOYSA-N 1 2 436.542 -0.134 20 0 IBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000533208494 1072926204 /nfs/dbraw/zinc/92/62/04/1072926204.db2.gz LDRMOFBDRDJQGP-HNNXBMFYSA-N 1 2 427.527 -0.275 20 0 IBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000533208494 1072926198 /nfs/dbraw/zinc/92/61/98/1072926198.db2.gz LDRMOFBDRDJQGP-HNNXBMFYSA-N 1 2 427.527 -0.275 20 0 IBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000533208495 1072926151 /nfs/dbraw/zinc/92/61/51/1072926151.db2.gz LDRMOFBDRDJQGP-OAHLLOKOSA-N 1 2 427.527 -0.275 20 0 IBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000533208495 1072926144 /nfs/dbraw/zinc/92/61/44/1072926144.db2.gz LDRMOFBDRDJQGP-OAHLLOKOSA-N 1 2 427.527 -0.275 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000533212510 1072927249 /nfs/dbraw/zinc/92/72/49/1072927249.db2.gz DTGMREAKXUXRAD-HNNXBMFYSA-N 1 2 446.533 -0.006 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000533212511 1072927187 /nfs/dbraw/zinc/92/71/87/1072927187.db2.gz DTGMREAKXUXRAD-OAHLLOKOSA-N 1 2 446.533 -0.006 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)COc4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000533219016 1072926634 /nfs/dbraw/zinc/92/66/34/1072926634.db2.gz RDPJASQKEJXMRA-UHFFFAOYSA-N 1 2 444.467 -0.204 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000533220448 1072926726 /nfs/dbraw/zinc/92/67/26/1072926726.db2.gz FRIOFCFNCFBIJP-UHFFFAOYSA-N 1 2 435.594 -0.131 20 0 IBADLO O=C(CN1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1)N1CCOCC1 ZINC000533222497 1072927272 /nfs/dbraw/zinc/92/72/72/1072927272.db2.gz VFXXWTWCDGHPCI-UHFFFAOYSA-N 1 2 435.594 -0.131 20 0 IBADLO COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000533239598 1072927972 /nfs/dbraw/zinc/92/79/72/1072927972.db2.gz JFEROHXLUZIDMR-UHFFFAOYSA-N 1 2 441.554 -0.248 20 0 IBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000533240551 1072928000 /nfs/dbraw/zinc/92/80/00/1072928000.db2.gz ZCQZVLZTGINEJX-UHFFFAOYSA-N 1 2 443.548 -0.238 20 0 IBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000533243670 1072928481 /nfs/dbraw/zinc/92/84/81/1072928481.db2.gz XATQDZNUDAFSID-UHFFFAOYSA-N 1 2 426.539 -0.039 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(=O)[nH]c1=O ZINC000533251383 1072928984 /nfs/dbraw/zinc/92/89/84/1072928984.db2.gz OOTQIAQYZIYIOR-UHFFFAOYSA-N 1 2 434.541 0.000 20 0 IBADLO CC(C)Cn1c(N)c(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(=O)[nH]c1=O ZINC000533251383 1072928969 /nfs/dbraw/zinc/92/89/69/1072928969.db2.gz OOTQIAQYZIYIOR-UHFFFAOYSA-N 1 2 434.541 0.000 20 0 IBADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259847 1072929761 /nfs/dbraw/zinc/92/97/61/1072929761.db2.gz FNRKGIBUXXLBQN-MSOLQXFVSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259847 1072929753 /nfs/dbraw/zinc/92/97/53/1072929753.db2.gz FNRKGIBUXXLBQN-MSOLQXFVSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259848 1072929884 /nfs/dbraw/zinc/92/98/84/1072929884.db2.gz FNRKGIBUXXLBQN-ROUUACIJSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259848 1072929879 /nfs/dbraw/zinc/92/98/79/1072929879.db2.gz FNRKGIBUXXLBQN-ROUUACIJSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259849 1072929795 /nfs/dbraw/zinc/92/97/95/1072929795.db2.gz FNRKGIBUXXLBQN-ZWKOTPCHSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533259849 1072929791 /nfs/dbraw/zinc/92/97/91/1072929791.db2.gz FNRKGIBUXXLBQN-ZWKOTPCHSA-N 1 2 428.599 -0.054 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c(=O)[nH]c1=O ZINC000533270707 1072929862 /nfs/dbraw/zinc/92/98/62/1072929862.db2.gz LGDZYERWYOHXIZ-INIZCTEOSA-N 1 2 436.557 -0.149 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c(=O)[nH]c1=O ZINC000533270707 1072929855 /nfs/dbraw/zinc/92/98/55/1072929855.db2.gz LGDZYERWYOHXIZ-INIZCTEOSA-N 1 2 436.557 -0.149 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c(=O)[nH]c1=O ZINC000533270712 1072929637 /nfs/dbraw/zinc/92/96/37/1072929637.db2.gz LGDZYERWYOHXIZ-MRXNPFEDSA-N 1 2 436.557 -0.149 20 0 IBADLO CCCn1c(N)c(C(=O)CN2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c(=O)[nH]c1=O ZINC000533270712 1072929629 /nfs/dbraw/zinc/92/96/29/1072929629.db2.gz LGDZYERWYOHXIZ-MRXNPFEDSA-N 1 2 436.557 -0.149 20 0 IBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000533282921 1072930847 /nfs/dbraw/zinc/93/08/47/1072930847.db2.gz MICFQZBJLPKVSK-AWEZNQCLSA-N 1 2 427.527 -0.437 20 0 IBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000533282921 1072930846 /nfs/dbraw/zinc/93/08/46/1072930846.db2.gz MICFQZBJLPKVSK-AWEZNQCLSA-N 1 2 427.527 -0.437 20 0 IBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000533282922 1072930775 /nfs/dbraw/zinc/93/07/75/1072930775.db2.gz MICFQZBJLPKVSK-CQSZACIVSA-N 1 2 427.527 -0.437 20 0 IBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000533282922 1072930769 /nfs/dbraw/zinc/93/07/69/1072930769.db2.gz MICFQZBJLPKVSK-CQSZACIVSA-N 1 2 427.527 -0.437 20 0 IBADLO CCn1c(N)c(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)[nH]c1=O ZINC000533290048 1072931437 /nfs/dbraw/zinc/93/14/37/1072931437.db2.gz NCSPYUAWJPFMLE-UHFFFAOYSA-N 1 2 444.496 -0.818 20 0 IBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(=O)[nH]c1=O ZINC000533291364 1072931450 /nfs/dbraw/zinc/93/14/50/1072931450.db2.gz LPNLIEFEQBATIY-UHFFFAOYSA-N 1 2 431.497 -0.001 20 0 IBADLO C[N@@H+](CCN1CCCC1=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000533295872 1072932118 /nfs/dbraw/zinc/93/21/18/1072932118.db2.gz WZIZCUOZBZSOLB-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO C[N@H+](CCN1CCCC1=O)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000533295872 1072932111 /nfs/dbraw/zinc/93/21/11/1072932111.db2.gz WZIZCUOZBZSOLB-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000533298390 1072932643 /nfs/dbraw/zinc/93/26/43/1072932643.db2.gz YFSNPWUNCGTVNC-KRWDZBQOSA-N 1 2 441.529 -0.468 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000533298390 1072932637 /nfs/dbraw/zinc/93/26/37/1072932637.db2.gz YFSNPWUNCGTVNC-KRWDZBQOSA-N 1 2 441.529 -0.468 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000533298391 1072932683 /nfs/dbraw/zinc/93/26/83/1072932683.db2.gz YFSNPWUNCGTVNC-QGZVFWFLSA-N 1 2 441.529 -0.468 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000533298391 1072932681 /nfs/dbraw/zinc/93/26/81/1072932681.db2.gz YFSNPWUNCGTVNC-QGZVFWFLSA-N 1 2 441.529 -0.468 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000533304877 1072932792 /nfs/dbraw/zinc/93/27/92/1072932792.db2.gz PKXLDERNXXSVAJ-MSOLQXFVSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000533304877 1072932788 /nfs/dbraw/zinc/93/27/88/1072932788.db2.gz PKXLDERNXXSVAJ-MSOLQXFVSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533304878 1072932754 /nfs/dbraw/zinc/93/27/54/1072932754.db2.gz PKXLDERNXXSVAJ-QZTJIDSGSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533304878 1072932751 /nfs/dbraw/zinc/93/27/51/1072932751.db2.gz PKXLDERNXXSVAJ-QZTJIDSGSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000533304879 1072932576 /nfs/dbraw/zinc/93/25/76/1072932576.db2.gz PKXLDERNXXSVAJ-ROUUACIJSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000533304879 1072932567 /nfs/dbraw/zinc/93/25/67/1072932567.db2.gz PKXLDERNXXSVAJ-ROUUACIJSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533304880 1072932777 /nfs/dbraw/zinc/93/27/77/1072932777.db2.gz PKXLDERNXXSVAJ-ZWKOTPCHSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533304880 1072932769 /nfs/dbraw/zinc/93/27/69/1072932769.db2.gz PKXLDERNXXSVAJ-ZWKOTPCHSA-N 1 2 426.583 -0.348 20 0 IBADLO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000533315845 1073334645 /nfs/dbraw/zinc/33/46/45/1073334645.db2.gz IDJIFHAIVBZQNT-MSOLQXFVSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000533315846 1073334409 /nfs/dbraw/zinc/33/44/09/1073334409.db2.gz IDJIFHAIVBZQNT-QZTJIDSGSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000533315847 1073334551 /nfs/dbraw/zinc/33/45/51/1073334551.db2.gz IDJIFHAIVBZQNT-ROUUACIJSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000533315848 1073334631 /nfs/dbraw/zinc/33/46/31/1073334631.db2.gz IDJIFHAIVBZQNT-ZWKOTPCHSA-N 1 2 434.541 -0.087 20 0 IBADLO O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000533318569 1072933879 /nfs/dbraw/zinc/93/38/79/1072933879.db2.gz RHTAMNDMYJVSHP-UHFFFAOYSA-N 1 2 426.477 -0.141 20 0 IBADLO Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)cn1 ZINC000533320686 1074363191 /nfs/dbraw/zinc/36/31/91/1074363191.db2.gz OBYPQMMMKJWYPI-UHFFFAOYSA-N 1 2 430.513 -0.768 20 0 IBADLO O=C(NCCNC(=O)c1ccc(F)cc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000533320739 1072933182 /nfs/dbraw/zinc/93/31/82/1072933182.db2.gz QVLGMISKXWHSMN-UHFFFAOYSA-N 1 2 432.456 -0.161 20 0 IBADLO Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)no1 ZINC000533320829 1072932694 /nfs/dbraw/zinc/93/26/94/1072932694.db2.gz WOCZWAVKXBCZGT-UHFFFAOYSA-N 1 2 431.497 -0.205 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1)N1CCOCC1 ZINC000533346689 1073218003 /nfs/dbraw/zinc/21/80/03/1073218003.db2.gz MZVXKINPNJIBLT-GOSISDBHSA-N 1 2 436.475 -0.375 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1)N1CCOCC1 ZINC000533346690 1073378393 /nfs/dbraw/zinc/37/83/93/1073378393.db2.gz MZVXKINPNJIBLT-SFHVURJKSA-N 1 2 436.475 -0.375 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000533350494 1072934744 /nfs/dbraw/zinc/93/47/44/1072934744.db2.gz UPXGXRINRRBRKU-CYBMUJFWSA-N 1 2 444.579 -0.033 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000533350495 1072934680 /nfs/dbraw/zinc/93/46/80/1072934680.db2.gz UPXGXRINRRBRKU-ZDUSSCGKSA-N 1 2 444.579 -0.033 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000533358556 1072934403 /nfs/dbraw/zinc/93/44/03/1072934403.db2.gz ZMYSHKJBKJIMQO-CYBMUJFWSA-N 1 2 430.552 -0.516 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000533358556 1072934396 /nfs/dbraw/zinc/93/43/96/1072934396.db2.gz ZMYSHKJBKJIMQO-CYBMUJFWSA-N 1 2 430.552 -0.516 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000533358557 1072934317 /nfs/dbraw/zinc/93/43/17/1072934317.db2.gz ZMYSHKJBKJIMQO-ZDUSSCGKSA-N 1 2 430.552 -0.516 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000533358557 1072934309 /nfs/dbraw/zinc/93/43/09/1072934309.db2.gz ZMYSHKJBKJIMQO-ZDUSSCGKSA-N 1 2 430.552 -0.516 20 0 IBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533358611 1072934773 /nfs/dbraw/zinc/93/47/73/1072934773.db2.gz FRLWYIHATXTGEL-INIZCTEOSA-N 1 2 428.580 -0.373 20 0 IBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533358612 1072934817 /nfs/dbraw/zinc/93/48/17/1072934817.db2.gz FRLWYIHATXTGEL-MRXNPFEDSA-N 1 2 428.580 -0.373 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533377135 1072935868 /nfs/dbraw/zinc/93/58/68/1072935868.db2.gz KIDVXYJIPDPPPC-DLBZAZTESA-N 1 2 426.525 -0.108 20 0 IBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533377136 1072935873 /nfs/dbraw/zinc/93/58/73/1072935873.db2.gz KIDVXYJIPDPPPC-IAGOWNOFSA-N 1 2 426.525 -0.108 20 0 IBADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533377137 1072936400 /nfs/dbraw/zinc/93/64/00/1072936400.db2.gz KIDVXYJIPDPPPC-IRXDYDNUSA-N 1 2 426.525 -0.108 20 0 IBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000533377138 1072936334 /nfs/dbraw/zinc/93/63/34/1072936334.db2.gz KIDVXYJIPDPPPC-SJORKVTESA-N 1 2 426.525 -0.108 20 0 IBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000533377274 1072935833 /nfs/dbraw/zinc/93/58/33/1072935833.db2.gz OYORVPLSKNWXHY-UHFFFAOYSA-N 1 2 440.478 -0.997 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(Cc4noc(C(C)(C)C)n4)CC3)c2c(=O)n(C)c1=O ZINC000533378375 1072936434 /nfs/dbraw/zinc/93/64/34/1072936434.db2.gz IJXBNJRUMPBADB-UHFFFAOYSA-N 1 2 430.513 -0.068 20 0 IBADLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533379979 1072936795 /nfs/dbraw/zinc/93/67/95/1072936795.db2.gz IFSCPWHVSOSDCL-KBPBESRZSA-N 1 2 431.536 -0.049 20 0 IBADLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533379981 1072936934 /nfs/dbraw/zinc/93/69/34/1072936934.db2.gz IFSCPWHVSOSDCL-KGLIPLIRSA-N 1 2 431.536 -0.049 20 0 IBADLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533379982 1072936984 /nfs/dbraw/zinc/93/69/84/1072936984.db2.gz IFSCPWHVSOSDCL-UONOGXRCSA-N 1 2 431.536 -0.049 20 0 IBADLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533379983 1072936957 /nfs/dbraw/zinc/93/69/57/1072936957.db2.gz IFSCPWHVSOSDCL-ZIAGYGMSSA-N 1 2 431.536 -0.049 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533381598 1072938565 /nfs/dbraw/zinc/93/85/65/1072938565.db2.gz YWEQPPNMCFMSCM-CVEARBPZSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533381601 1072938435 /nfs/dbraw/zinc/93/84/35/1072938435.db2.gz YWEQPPNMCFMSCM-HOTGVXAUSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533381602 1072938451 /nfs/dbraw/zinc/93/84/51/1072938451.db2.gz YWEQPPNMCFMSCM-HZPDHXFCSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533381603 1072938678 /nfs/dbraw/zinc/93/86/78/1072938678.db2.gz YWEQPPNMCFMSCM-JKSUJKDBSA-N 1 2 431.536 -0.884 20 0 IBADLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533381623 1072938600 /nfs/dbraw/zinc/93/86/00/1072938600.db2.gz ULDDCOAGBCHJQF-DLBZAZTESA-N 1 2 425.507 -0.192 20 0 IBADLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533381626 1072938584 /nfs/dbraw/zinc/93/85/84/1072938584.db2.gz ULDDCOAGBCHJQF-IAGOWNOFSA-N 1 2 425.507 -0.192 20 0 IBADLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533381627 1072938524 /nfs/dbraw/zinc/93/85/24/1072938524.db2.gz ULDDCOAGBCHJQF-IRXDYDNUSA-N 1 2 425.507 -0.192 20 0 IBADLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533381628 1072938615 /nfs/dbraw/zinc/93/86/15/1072938615.db2.gz ULDDCOAGBCHJQF-SJORKVTESA-N 1 2 425.507 -0.192 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937871 /nfs/dbraw/zinc/93/78/71/1072937871.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937867 /nfs/dbraw/zinc/93/78/67/1072937867.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937860 /nfs/dbraw/zinc/93/78/60/1072937860.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937855 /nfs/dbraw/zinc/93/78/55/1072937855.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CCN(C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1)S(C)(=O)=O ZINC000533384080 1072939059 /nfs/dbraw/zinc/93/90/59/1072939059.db2.gz FLFCYAWGMOKIGH-UHFFFAOYSA-N 1 2 445.630 -0.209 20 0 IBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000533385441 1072939673 /nfs/dbraw/zinc/93/96/73/1072939673.db2.gz MDTBZMIRFVIOQZ-UHFFFAOYSA-N 1 2 440.632 -0.091 20 0 IBADLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000533412140 1072940730 /nfs/dbraw/zinc/94/07/30/1072940730.db2.gz DGBUHXYDICYPQV-UHFFFAOYSA-N 1 2 431.511 -0.405 20 0 IBADLO COCC[N@H+](CCO)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000533412140 1072940726 /nfs/dbraw/zinc/94/07/26/1072940726.db2.gz DGBUHXYDICYPQV-UHFFFAOYSA-N 1 2 431.511 -0.405 20 0 IBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000533420426 1072941415 /nfs/dbraw/zinc/94/14/15/1072941415.db2.gz JIOHCIOASOZXIN-GFCCVEGCSA-N 1 2 427.483 -0.389 20 0 IBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000533420426 1072941409 /nfs/dbraw/zinc/94/14/09/1072941409.db2.gz JIOHCIOASOZXIN-GFCCVEGCSA-N 1 2 427.483 -0.389 20 0 IBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000533420436 1070826551 /nfs/dbraw/zinc/82/65/51/1070826551.db2.gz JIOHCIOASOZXIN-LBPRGKRZSA-N 1 2 427.483 -0.389 20 0 IBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000533420436 1070826524 /nfs/dbraw/zinc/82/65/24/1070826524.db2.gz JIOHCIOASOZXIN-LBPRGKRZSA-N 1 2 427.483 -0.389 20 0 IBADLO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)cn1 ZINC000533426646 1072941789 /nfs/dbraw/zinc/94/17/89/1072941789.db2.gz CJKCCJCWVISJIW-UHFFFAOYSA-N 1 2 429.481 -0.076 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533435524 1072942304 /nfs/dbraw/zinc/94/23/04/1072942304.db2.gz HULGZYXDNWXSQH-HNNXBMFYSA-N 1 2 430.552 -0.857 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533435524 1072942292 /nfs/dbraw/zinc/94/22/92/1072942292.db2.gz HULGZYXDNWXSQH-HNNXBMFYSA-N 1 2 430.552 -0.857 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533435525 1072942484 /nfs/dbraw/zinc/94/24/84/1072942484.db2.gz HULGZYXDNWXSQH-OAHLLOKOSA-N 1 2 430.552 -0.857 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533435525 1072942477 /nfs/dbraw/zinc/94/24/77/1072942477.db2.gz HULGZYXDNWXSQH-OAHLLOKOSA-N 1 2 430.552 -0.857 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533436537 1072941352 /nfs/dbraw/zinc/94/13/52/1072941352.db2.gz MCWBHOVLCNEGLK-KRWDZBQOSA-N 1 2 444.579 -0.716 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533436537 1072941343 /nfs/dbraw/zinc/94/13/43/1072941343.db2.gz MCWBHOVLCNEGLK-KRWDZBQOSA-N 1 2 444.579 -0.716 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533436538 1072941378 /nfs/dbraw/zinc/94/13/78/1072941378.db2.gz MCWBHOVLCNEGLK-QGZVFWFLSA-N 1 2 444.579 -0.716 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000533436538 1072941369 /nfs/dbraw/zinc/94/13/69/1072941369.db2.gz MCWBHOVLCNEGLK-QGZVFWFLSA-N 1 2 444.579 -0.716 20 0 IBADLO COC(=O)CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CCOCC1 ZINC000533448633 1072942503 /nfs/dbraw/zinc/94/25/03/1072942503.db2.gz SIKQSVRPHTUWBY-UHFFFAOYSA-N 1 2 431.497 -0.334 20 0 IBADLO COC(=O)Cn1cc(CC[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)nn1 ZINC000533450883 1072942863 /nfs/dbraw/zinc/94/28/63/1072942863.db2.gz CWRSNAXLRJSCPK-UHFFFAOYSA-N 1 2 426.499 -0.005 20 0 IBADLO COC(=O)Cn1cc(CC[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)nn1 ZINC000533450883 1072942860 /nfs/dbraw/zinc/94/28/60/1072942860.db2.gz CWRSNAXLRJSCPK-UHFFFAOYSA-N 1 2 426.499 -0.005 20 0 IBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000533454943 1074363140 /nfs/dbraw/zinc/36/31/40/1074363140.db2.gz WYGVMDDPZMPQIW-UHFFFAOYSA-N 1 2 430.513 -0.768 20 0 IBADLO O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000533455191 1072942875 /nfs/dbraw/zinc/94/28/75/1072942875.db2.gz PQJOWQPSNCFSPI-UHFFFAOYSA-N 1 2 428.449 -0.122 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000533456496 1073378414 /nfs/dbraw/zinc/37/84/14/1073378414.db2.gz ATPFCZNRKUDAQR-GOSISDBHSA-N 1 2 426.477 -0.147 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000533456497 1073378507 /nfs/dbraw/zinc/37/85/07/1073378507.db2.gz ATPFCZNRKUDAQR-SFHVURJKSA-N 1 2 426.477 -0.147 20 0 IBADLO O=C(NCCNC(=O)c1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000533457989 1072942999 /nfs/dbraw/zinc/94/29/99/1072942999.db2.gz ZHCXZDYNEABLSY-UHFFFAOYSA-N 1 2 432.456 -0.161 20 0 IBADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)NCCc1ccccc1 ZINC000533457999 1072943024 /nfs/dbraw/zinc/94/30/24/1072943024.db2.gz AFUDVEBNXDLSAI-UHFFFAOYSA-N 1 2 428.493 -0.371 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000533461921 1072943488 /nfs/dbraw/zinc/94/34/88/1072943488.db2.gz KVXAQYQPYMTREE-UHFFFAOYSA-N 1 2 448.505 -0.345 20 0 IBADLO CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000533462703 1070828802 /nfs/dbraw/zinc/82/88/02/1070828802.db2.gz VAPJSBRQEHFTFN-HNNXBMFYSA-N 1 2 429.543 -0.175 20 0 IBADLO CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)CS(=O)(=O)CC ZINC000533462704 1070829018 /nfs/dbraw/zinc/82/90/18/1070829018.db2.gz VAPJSBRQEHFTFN-OAHLLOKOSA-N 1 2 429.543 -0.175 20 0 IBADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([NH+]3CCC(N4CCCNC4=O)CC3)C2=O)c1 ZINC000533495764 1072945042 /nfs/dbraw/zinc/94/50/42/1072945042.db2.gz OZLCAZDILXRLSG-INIZCTEOSA-N 1 2 435.506 -0.154 20 0 IBADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([NH+]3CCC(N4CCCNC4=O)CC3)C2=O)c1 ZINC000533495765 1072944930 /nfs/dbraw/zinc/94/49/30/1072944930.db2.gz OZLCAZDILXRLSG-MRXNPFEDSA-N 1 2 435.506 -0.154 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1 ZINC000533514251 1072944955 /nfs/dbraw/zinc/94/49/55/1072944955.db2.gz ZXFSHETWKBQUBV-KRWDZBQOSA-N 1 2 426.525 -0.141 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1 ZINC000533514252 1072944942 /nfs/dbraw/zinc/94/49/42/1072944942.db2.gz ZXFSHETWKBQUBV-QGZVFWFLSA-N 1 2 426.525 -0.141 20 0 IBADLO COc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC ZINC000533516102 1072946499 /nfs/dbraw/zinc/94/64/99/1072946499.db2.gz FVTQJKMDKGRXSL-CABCVRRESA-N 1 2 443.522 -0.262 20 0 IBADLO COc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC ZINC000533516103 1070839737 /nfs/dbraw/zinc/83/97/37/1070839737.db2.gz FVTQJKMDKGRXSL-GJZGRUSLSA-N 1 2 443.522 -0.262 20 0 IBADLO COc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000533516104 1072946534 /nfs/dbraw/zinc/94/65/34/1072946534.db2.gz FVTQJKMDKGRXSL-HUUCEWRRSA-N 1 2 443.522 -0.262 20 0 IBADLO COc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000533516105 1072946601 /nfs/dbraw/zinc/94/66/01/1072946601.db2.gz FVTQJKMDKGRXSL-LSDHHAIUSA-N 1 2 443.522 -0.262 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517189 1072946436 /nfs/dbraw/zinc/94/64/36/1072946436.db2.gz CCOYBKLZXOAFOP-DVOMOZLQSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517189 1072946431 /nfs/dbraw/zinc/94/64/31/1072946431.db2.gz CCOYBKLZXOAFOP-DVOMOZLQSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517190 1070838181 /nfs/dbraw/zinc/83/81/81/1070838181.db2.gz CCOYBKLZXOAFOP-HEHGZKQESA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517190 1070838154 /nfs/dbraw/zinc/83/81/54/1070838154.db2.gz CCOYBKLZXOAFOP-HEHGZKQESA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517194 1072946554 /nfs/dbraw/zinc/94/65/54/1072946554.db2.gz CCOYBKLZXOAFOP-WOSRLPQWSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517194 1072946547 /nfs/dbraw/zinc/94/65/47/1072946547.db2.gz CCOYBKLZXOAFOP-WOSRLPQWSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517196 1072946577 /nfs/dbraw/zinc/94/65/77/1072946577.db2.gz CCOYBKLZXOAFOP-XJKCOSOUSA-N 1 2 432.568 -0.087 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533517196 1072946570 /nfs/dbraw/zinc/94/65/70/1072946570.db2.gz CCOYBKLZXOAFOP-XJKCOSOUSA-N 1 2 432.568 -0.087 20 0 IBADLO NC(=O)CCN(C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)cc1 ZINC000533518387 1072946938 /nfs/dbraw/zinc/94/69/38/1072946938.db2.gz PKJNNKYSRUDXAG-DLBZAZTESA-N 1 2 442.513 -0.879 20 0 IBADLO NC(=O)CCN(C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)cc1 ZINC000533518391 1072946879 /nfs/dbraw/zinc/94/68/79/1072946879.db2.gz PKJNNKYSRUDXAG-IAGOWNOFSA-N 1 2 442.513 -0.879 20 0 IBADLO NC(=O)CCN(C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)cc1 ZINC000533518393 1072946999 /nfs/dbraw/zinc/94/69/99/1072946999.db2.gz PKJNNKYSRUDXAG-IRXDYDNUSA-N 1 2 442.513 -0.879 20 0 IBADLO NC(=O)CCN(C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)cc1 ZINC000533518396 1070838494 /nfs/dbraw/zinc/83/84/94/1070838494.db2.gz PKJNNKYSRUDXAG-SJORKVTESA-N 1 2 442.513 -0.879 20 0 IBADLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533518451 1070839632 /nfs/dbraw/zinc/83/96/32/1070839632.db2.gz RCCCTMNHXHAKRK-DLBZAZTESA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533518453 1070839160 /nfs/dbraw/zinc/83/91/60/1070839160.db2.gz RCCCTMNHXHAKRK-IAGOWNOFSA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533518454 1072946971 /nfs/dbraw/zinc/94/69/71/1072946971.db2.gz RCCCTMNHXHAKRK-IRXDYDNUSA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533518460 1070839690 /nfs/dbraw/zinc/83/96/90/1070839690.db2.gz RCCCTMNHXHAKRK-SJORKVTESA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533518529 1072947618 /nfs/dbraw/zinc/94/76/18/1072947618.db2.gz LKUVONKLRPPZHC-DLBZAZTESA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533518531 1072947867 /nfs/dbraw/zinc/94/78/67/1072947867.db2.gz LKUVONKLRPPZHC-IAGOWNOFSA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533518532 1072947892 /nfs/dbraw/zinc/94/78/92/1072947892.db2.gz LKUVONKLRPPZHC-IRXDYDNUSA-N 1 2 425.507 -0.111 20 0 IBADLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533518534 1072947553 /nfs/dbraw/zinc/94/75/53/1072947553.db2.gz LKUVONKLRPPZHC-SJORKVTESA-N 1 2 425.507 -0.111 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Br)cn1 ZINC000533518755 1072947646 /nfs/dbraw/zinc/94/76/46/1072947646.db2.gz WRSAFQABSZPVPX-CHWSQXEVSA-N 1 2 433.328 -0.130 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Br)cn1 ZINC000533518758 1070839075 /nfs/dbraw/zinc/83/90/75/1070839075.db2.gz WRSAFQABSZPVPX-OLZOCXBDSA-N 1 2 433.328 -0.130 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Br)cn1 ZINC000533518759 1072947728 /nfs/dbraw/zinc/94/77/28/1072947728.db2.gz WRSAFQABSZPVPX-QWHCGFSZSA-N 1 2 433.328 -0.130 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Br)cn1 ZINC000533518763 1070839389 /nfs/dbraw/zinc/83/93/89/1070839389.db2.gz WRSAFQABSZPVPX-STQMWFEESA-N 1 2 433.328 -0.130 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000533519772 1072948510 /nfs/dbraw/zinc/94/85/10/1072948510.db2.gz GDCMLJHPSFEDGH-CVEARBPZSA-N 1 2 425.507 -0.126 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000533519773 1072948352 /nfs/dbraw/zinc/94/83/52/1072948352.db2.gz GDCMLJHPSFEDGH-HOTGVXAUSA-N 1 2 425.507 -0.126 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000533519774 1072948468 /nfs/dbraw/zinc/94/84/68/1072948468.db2.gz GDCMLJHPSFEDGH-HZPDHXFCSA-N 1 2 425.507 -0.126 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000533519775 1072948209 /nfs/dbraw/zinc/94/82/09/1072948209.db2.gz GDCMLJHPSFEDGH-JKSUJKDBSA-N 1 2 425.507 -0.126 20 0 IBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000533520321 1072948222 /nfs/dbraw/zinc/94/82/22/1072948222.db2.gz KVNVCQBZERKJKW-UHFFFAOYSA-N 1 2 426.539 -0.087 20 0 IBADLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000533520546 1072948313 /nfs/dbraw/zinc/94/83/13/1072948313.db2.gz DRUBEHINIKVVQV-DLBZAZTESA-N 1 2 445.568 -0.254 20 0 IBADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000533520547 1072948496 /nfs/dbraw/zinc/94/84/96/1072948496.db2.gz DRUBEHINIKVVQV-IAGOWNOFSA-N 1 2 445.568 -0.254 20 0 IBADLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000533520548 1072948245 /nfs/dbraw/zinc/94/82/45/1072948245.db2.gz DRUBEHINIKVVQV-IRXDYDNUSA-N 1 2 445.568 -0.254 20 0 IBADLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1 ZINC000533520549 1072948375 /nfs/dbraw/zinc/94/83/75/1072948375.db2.gz DRUBEHINIKVVQV-SJORKVTESA-N 1 2 445.568 -0.254 20 0 IBADLO CCN(C1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1)S(C)(=O)=O ZINC000533520554 1072948291 /nfs/dbraw/zinc/94/82/91/1072948291.db2.gz DWRURISGYTXDQA-UHFFFAOYSA-N 1 2 440.632 -0.091 20 0 IBADLO CCN(C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1)S(C)(=O)=O ZINC000533521096 1072948271 /nfs/dbraw/zinc/94/82/71/1072948271.db2.gz UVWFWROHGVJSLH-UHFFFAOYSA-N 1 2 446.595 -0.261 20 0 IBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000533521316 1072948402 /nfs/dbraw/zinc/94/84/02/1072948402.db2.gz ALQZSCSNLYHBLZ-UHFFFAOYSA-N 1 2 445.630 -0.209 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000533545349 1072950025 /nfs/dbraw/zinc/95/00/25/1072950025.db2.gz MWDNULCDPDOQBB-INIZCTEOSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000533545349 1072950016 /nfs/dbraw/zinc/95/00/16/1072950016.db2.gz MWDNULCDPDOQBB-INIZCTEOSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000533545350 1072950138 /nfs/dbraw/zinc/95/01/38/1072950138.db2.gz MWDNULCDPDOQBB-MRXNPFEDSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000533545350 1072950132 /nfs/dbraw/zinc/95/01/32/1072950132.db2.gz MWDNULCDPDOQBB-MRXNPFEDSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000533545781 1072950491 /nfs/dbraw/zinc/95/04/91/1072950491.db2.gz BBGMJSCDPPFXJF-AWEZNQCLSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000533545781 1072950486 /nfs/dbraw/zinc/95/04/86/1072950486.db2.gz BBGMJSCDPPFXJF-AWEZNQCLSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000533545782 1072950600 /nfs/dbraw/zinc/95/06/00/1072950600.db2.gz BBGMJSCDPPFXJF-CQSZACIVSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000533545782 1072950592 /nfs/dbraw/zinc/95/05/92/1072950592.db2.gz BBGMJSCDPPFXJF-CQSZACIVSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533545817 1072950522 /nfs/dbraw/zinc/95/05/22/1072950522.db2.gz KXZDUEKPESANRE-INIZCTEOSA-N 1 2 430.552 -0.857 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533545817 1072950515 /nfs/dbraw/zinc/95/05/15/1072950515.db2.gz KXZDUEKPESANRE-INIZCTEOSA-N 1 2 430.552 -0.857 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533545818 1072950667 /nfs/dbraw/zinc/95/06/67/1072950667.db2.gz KXZDUEKPESANRE-MRXNPFEDSA-N 1 2 430.552 -0.857 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533545818 1072950660 /nfs/dbraw/zinc/95/06/60/1072950660.db2.gz KXZDUEKPESANRE-MRXNPFEDSA-N 1 2 430.552 -0.857 20 0 IBADLO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000533584966 1072951248 /nfs/dbraw/zinc/95/12/48/1072951248.db2.gz JTEZTCSCSKCSPV-AWEZNQCLSA-N 1 2 433.556 -0.734 20 0 IBADLO C[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000533584967 1070853894 /nfs/dbraw/zinc/85/38/94/1070853894.db2.gz JTEZTCSCSKCSPV-CQSZACIVSA-N 1 2 433.556 -0.734 20 0 IBADLO CCn1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000533593348 1072951640 /nfs/dbraw/zinc/95/16/40/1072951640.db2.gz OYEBKSBXHSVIHS-UHFFFAOYSA-N 1 2 441.558 -0.905 20 0 IBADLO Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000533609824 1072952178 /nfs/dbraw/zinc/95/21/78/1072952178.db2.gz DJNBXHXKFPYRGA-UHFFFAOYSA-N 1 2 428.497 -0.049 20 0 IBADLO Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000533609824 1072952168 /nfs/dbraw/zinc/95/21/68/1072952168.db2.gz DJNBXHXKFPYRGA-UHFFFAOYSA-N 1 2 428.497 -0.049 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1=O ZINC000533613588 1072952226 /nfs/dbraw/zinc/95/22/26/1072952226.db2.gz ZPUARTOWOMUUJU-AWEZNQCLSA-N 1 2 436.465 -0.554 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1=O ZINC000533613589 1072952010 /nfs/dbraw/zinc/95/20/10/1072952010.db2.gz ZPUARTOWOMUUJU-CQSZACIVSA-N 1 2 436.465 -0.554 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000533614440 1072952029 /nfs/dbraw/zinc/95/20/29/1072952029.db2.gz NUJVSJNPAVLDII-INIZCTEOSA-N 1 2 441.554 -0.021 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000533614441 1072951962 /nfs/dbraw/zinc/95/19/62/1072951962.db2.gz NUJVSJNPAVLDII-MRXNPFEDSA-N 1 2 441.554 -0.021 20 0 IBADLO Cc1cnn(Cc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)no2)c1 ZINC000533691843 1072953909 /nfs/dbraw/zinc/95/39/09/1072953909.db2.gz GRLZPKCOCACEAC-UHFFFAOYSA-N 1 2 437.526 -0.522 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)co1 ZINC000533708185 1072954262 /nfs/dbraw/zinc/95/42/62/1072954262.db2.gz QRKIAIXWUJGXBC-UHFFFAOYSA-N 1 2 441.554 -0.502 20 0 IBADLO CC(C)C(=O)NCCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000533739338 1072959483 /nfs/dbraw/zinc/95/94/83/1072959483.db2.gz TXCQHTQVCJLVMY-UHFFFAOYSA-N 1 2 440.570 -0.005 20 0 IBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533817475 1072963198 /nfs/dbraw/zinc/96/31/98/1072963198.db2.gz URLCPBSAKAVNIT-UHFFFAOYSA-N 1 2 446.533 -0.277 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(OCCO)CC1 ZINC000533825276 1072963158 /nfs/dbraw/zinc/96/31/58/1072963158.db2.gz PUQLRROXDFZHOT-UHFFFAOYSA-N 1 2 441.554 -0.284 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000533844751 1071051947 /nfs/dbraw/zinc/05/19/47/1071051947.db2.gz GHXPKSBFWDGYRW-HNNXBMFYSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000533844751 1071051939 /nfs/dbraw/zinc/05/19/39/1071051939.db2.gz GHXPKSBFWDGYRW-HNNXBMFYSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000533844752 1071052015 /nfs/dbraw/zinc/05/20/15/1071052015.db2.gz GHXPKSBFWDGYRW-OAHLLOKOSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000533844752 1071052006 /nfs/dbraw/zinc/05/20/06/1071052006.db2.gz GHXPKSBFWDGYRW-OAHLLOKOSA-N 1 2 434.515 -0.979 20 0 IBADLO O=C(NCCn1ccccc1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000533890182 1072966299 /nfs/dbraw/zinc/96/62/99/1072966299.db2.gz XHDSLBPOCRUMFJ-UHFFFAOYSA-N 1 2 434.522 -0.306 20 0 IBADLO CNC(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000533911475 1071313382 /nfs/dbraw/zinc/31/33/82/1071313382.db2.gz FRIKORHPQDLRMT-UHFFFAOYSA-N 1 2 439.538 -0.939 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000533939620 1073123271 /nfs/dbraw/zinc/12/32/71/1073123271.db2.gz RERLQWRTETXMPS-UHFFFAOYSA-N 1 2 429.539 -0.123 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000533939620 1073123269 /nfs/dbraw/zinc/12/32/69/1073123269.db2.gz RERLQWRTETXMPS-UHFFFAOYSA-N 1 2 429.539 -0.123 20 0 IBADLO COCC1(O)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000533957430 1072377741 /nfs/dbraw/zinc/37/77/41/1072377741.db2.gz FSLASZNAYPMHOO-UHFFFAOYSA-N 1 2 441.554 -0.284 20 0 IBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(N)n(Cc2ccccc2)c1=O ZINC000534100433 1072410976 /nfs/dbraw/zinc/41/09/76/1072410976.db2.gz KJWYAMPTENKORY-UHFFFAOYSA-N 1 2 440.460 -0.966 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c(=O)[nH]c1=O ZINC000534142392 1072412085 /nfs/dbraw/zinc/41/20/85/1072412085.db2.gz MUAUUIIAVIHINQ-UHFFFAOYSA-N 1 2 444.558 -0.315 20 0 IBADLO CCCCS(=O)(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534148259 1072413504 /nfs/dbraw/zinc/41/35/04/1072413504.db2.gz OEWXHWYAYQWYMA-UHFFFAOYSA-N 1 2 426.543 -0.319 20 0 IBADLO CCCCS(=O)(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534148259 1072413492 /nfs/dbraw/zinc/41/34/92/1072413492.db2.gz OEWXHWYAYQWYMA-UHFFFAOYSA-N 1 2 426.543 -0.319 20 0 IBADLO Cn1nc2c(c1NC(=O)C(=O)N1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)CCC2 ZINC000534189422 1072414248 /nfs/dbraw/zinc/41/42/48/1072414248.db2.gz KHUIZLHFNWQRBL-UHFFFAOYSA-N 1 2 440.508 -0.177 20 0 IBADLO Cn1nc2c(c1NC(=O)C(=O)N1CCN(c3cc(N4CCOCC4)nc[nH+]3)CC1)CCC2 ZINC000534189422 1072414242 /nfs/dbraw/zinc/41/42/42/1072414242.db2.gz KHUIZLHFNWQRBL-UHFFFAOYSA-N 1 2 440.508 -0.177 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534228004 1072415000 /nfs/dbraw/zinc/41/50/00/1072415000.db2.gz QDGGNZOYPAWTBX-DZGCQCFKSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534228004 1072414996 /nfs/dbraw/zinc/41/49/96/1072414996.db2.gz QDGGNZOYPAWTBX-DZGCQCFKSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534228005 1072414878 /nfs/dbraw/zinc/41/48/78/1072414878.db2.gz QDGGNZOYPAWTBX-HIFRSBDPSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534228005 1072414874 /nfs/dbraw/zinc/41/48/74/1072414874.db2.gz QDGGNZOYPAWTBX-HIFRSBDPSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534228006 1072414862 /nfs/dbraw/zinc/41/48/62/1072414862.db2.gz QDGGNZOYPAWTBX-UKRRQHHQSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534228006 1072414856 /nfs/dbraw/zinc/41/48/56/1072414856.db2.gz QDGGNZOYPAWTBX-UKRRQHHQSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534228007 1072414846 /nfs/dbraw/zinc/41/48/46/1072414846.db2.gz QDGGNZOYPAWTBX-ZFWWWQNUSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534228007 1072414842 /nfs/dbraw/zinc/41/48/42/1072414842.db2.gz QDGGNZOYPAWTBX-ZFWWWQNUSA-N 1 2 425.511 -0.223 20 0 IBADLO CCN(C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000534232227 1072414927 /nfs/dbraw/zinc/41/49/27/1072414927.db2.gz YHMPWMPPGAEBQA-AWEZNQCLSA-N 1 2 429.481 -0.325 20 0 IBADLO CCN(C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000534232227 1072414921 /nfs/dbraw/zinc/41/49/21/1072414921.db2.gz YHMPWMPPGAEBQA-AWEZNQCLSA-N 1 2 429.481 -0.325 20 0 IBADLO CCN(C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000534232228 1072415589 /nfs/dbraw/zinc/41/55/89/1072415589.db2.gz YHMPWMPPGAEBQA-CQSZACIVSA-N 1 2 429.481 -0.325 20 0 IBADLO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000534232228 1072415586 /nfs/dbraw/zinc/41/55/86/1072415586.db2.gz YHMPWMPPGAEBQA-CQSZACIVSA-N 1 2 429.481 -0.325 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2n[nH]c(=O)n2c1 ZINC000534253222 1072415601 /nfs/dbraw/zinc/41/56/01/1072415601.db2.gz WLROWIUCZHIAQG-UHFFFAOYSA-N 1 2 431.478 -0.288 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000534378118 1072416729 /nfs/dbraw/zinc/41/67/29/1072416729.db2.gz NIFWLIYRXRVWIY-UHFFFAOYSA-N 1 2 439.538 -0.514 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)co1 ZINC000534419691 1072417821 /nfs/dbraw/zinc/41/78/21/1072417821.db2.gz YRMWAXUAVUNNEV-UHFFFAOYSA-N 1 2 436.494 -0.223 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)co1 ZINC000534419691 1072417816 /nfs/dbraw/zinc/41/78/16/1072417816.db2.gz YRMWAXUAVUNNEV-UHFFFAOYSA-N 1 2 436.494 -0.223 20 0 IBADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)Nc4ccccc4F)CC3)c2c(=O)n(C)c1=O ZINC000534474696 1072419120 /nfs/dbraw/zinc/41/91/20/1072419120.db2.gz MPGOXNCABQGLAZ-UHFFFAOYSA-N 1 2 443.483 -0.171 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000534525920 1072420883 /nfs/dbraw/zinc/42/08/83/1072420883.db2.gz GFFZBLKZTXKIGS-UHFFFAOYSA-N 1 2 429.529 -0.051 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579268 1072421295 /nfs/dbraw/zinc/42/12/95/1072421295.db2.gz JBPPRIGZNXSFPC-FEPLZDSPSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579268 1072421293 /nfs/dbraw/zinc/42/12/93/1072421293.db2.gz JBPPRIGZNXSFPC-FEPLZDSPSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579268 1072421290 /nfs/dbraw/zinc/42/12/90/1072421290.db2.gz JBPPRIGZNXSFPC-FEPLZDSPSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579268 1072421286 /nfs/dbraw/zinc/42/12/86/1072421286.db2.gz JBPPRIGZNXSFPC-FEPLZDSPSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC(O)C1 ZINC000534579269 1072148335 /nfs/dbraw/zinc/14/83/35/1072148335.db2.gz JBPPRIGZNXSFPC-FPAYPSAMSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC(O)C1 ZINC000534579269 1072148332 /nfs/dbraw/zinc/14/83/32/1072148332.db2.gz JBPPRIGZNXSFPC-FPAYPSAMSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H](O)C1 ZINC000534579270 1072421266 /nfs/dbraw/zinc/42/12/66/1072421266.db2.gz JBPPRIGZNXSFPC-JKEDJMADSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H](O)C1 ZINC000534579270 1072421263 /nfs/dbraw/zinc/42/12/63/1072421263.db2.gz JBPPRIGZNXSFPC-JKEDJMADSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H](O)C1 ZINC000534579270 1072421260 /nfs/dbraw/zinc/42/12/60/1072421260.db2.gz JBPPRIGZNXSFPC-JKEDJMADSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H](O)C1 ZINC000534579270 1072421258 /nfs/dbraw/zinc/42/12/58/1072421258.db2.gz JBPPRIGZNXSFPC-JKEDJMADSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H](O)C1 ZINC000534579271 1072421370 /nfs/dbraw/zinc/42/13/70/1072421370.db2.gz JBPPRIGZNXSFPC-NNIGNNQHSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H](O)C1 ZINC000534579271 1072421366 /nfs/dbraw/zinc/42/13/66/1072421366.db2.gz JBPPRIGZNXSFPC-NNIGNNQHSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579271 1072421363 /nfs/dbraw/zinc/42/13/63/1072421363.db2.gz JBPPRIGZNXSFPC-NNIGNNQHSA-N 1 2 426.558 -0.668 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H](O)C1 ZINC000534579271 1072421360 /nfs/dbraw/zinc/42/13/60/1072421360.db2.gz JBPPRIGZNXSFPC-NNIGNNQHSA-N 1 2 426.558 -0.668 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC(O)C1 ZINC000534580051 1072421343 /nfs/dbraw/zinc/42/13/43/1072421343.db2.gz NUSTXCJGISGITF-KBPBESRZSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC(O)C1 ZINC000534580051 1072421338 /nfs/dbraw/zinc/42/13/38/1072421338.db2.gz NUSTXCJGISGITF-KBPBESRZSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H](O)C1 ZINC000534580052 1072421387 /nfs/dbraw/zinc/42/13/87/1072421387.db2.gz NUSTXCJGISGITF-QDMKHBRRSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H](O)C1 ZINC000534580052 1072421384 /nfs/dbraw/zinc/42/13/84/1072421384.db2.gz NUSTXCJGISGITF-QDMKHBRRSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H](O)C1 ZINC000534580052 1072421382 /nfs/dbraw/zinc/42/13/82/1072421382.db2.gz NUSTXCJGISGITF-QDMKHBRRSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H](O)C1 ZINC000534580052 1072421378 /nfs/dbraw/zinc/42/13/78/1072421378.db2.gz NUSTXCJGISGITF-QDMKHBRRSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC(O)C1 ZINC000534580053 1072421323 /nfs/dbraw/zinc/42/13/23/1072421323.db2.gz NUSTXCJGISGITF-ZIAGYGMSSA-N 1 2 428.534 -0.790 20 0 IBADLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC(O)C1 ZINC000534580053 1072421316 /nfs/dbraw/zinc/42/13/16/1072421316.db2.gz NUSTXCJGISGITF-ZIAGYGMSSA-N 1 2 428.534 -0.790 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000534827848 1072428051 /nfs/dbraw/zinc/42/80/51/1072428051.db2.gz QFKDAWXZLQJZHH-AWEZNQCLSA-N 1 2 427.508 -0.011 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000534827848 1072428047 /nfs/dbraw/zinc/42/80/47/1072428047.db2.gz QFKDAWXZLQJZHH-AWEZNQCLSA-N 1 2 427.508 -0.011 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000534828494 1072428104 /nfs/dbraw/zinc/42/81/04/1072428104.db2.gz ZHWLCWKRSDRUOK-SFHVURJKSA-N 1 2 449.533 -0.075 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000534828494 1072428101 /nfs/dbraw/zinc/42/81/01/1072428101.db2.gz ZHWLCWKRSDRUOK-SFHVURJKSA-N 1 2 449.533 -0.075 20 0 IBADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534831663 1072428160 /nfs/dbraw/zinc/42/81/60/1072428160.db2.gz IDWPLACQIGECNC-UHFFFAOYSA-N 1 2 429.481 -0.387 20 0 IBADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc21 ZINC000534834480 1072428081 /nfs/dbraw/zinc/42/80/81/1072428081.db2.gz QRBXKWINMVNIQH-UHFFFAOYSA-N 1 2 441.492 -0.243 20 0 IBADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc21 ZINC000534834480 1072428077 /nfs/dbraw/zinc/42/80/77/1072428077.db2.gz QRBXKWINMVNIQH-UHFFFAOYSA-N 1 2 441.492 -0.243 20 0 IBADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534854141 1072429172 /nfs/dbraw/zinc/42/91/72/1072429172.db2.gz RVNXKJFVBGTFLV-HNNXBMFYSA-N 1 2 427.465 -0.635 20 0 IBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534854141 1072429169 /nfs/dbraw/zinc/42/91/69/1072429169.db2.gz RVNXKJFVBGTFLV-HNNXBMFYSA-N 1 2 427.465 -0.635 20 0 IBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534854147 1072429105 /nfs/dbraw/zinc/42/91/05/1072429105.db2.gz RVNXKJFVBGTFLV-OAHLLOKOSA-N 1 2 427.465 -0.635 20 0 IBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534854147 1072429103 /nfs/dbraw/zinc/42/91/03/1072429103.db2.gz RVNXKJFVBGTFLV-OAHLLOKOSA-N 1 2 427.465 -0.635 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876802 1072429196 /nfs/dbraw/zinc/42/91/96/1072429196.db2.gz ZKNNDVRAFROAIN-GFCCVEGCSA-N 1 2 430.552 -0.388 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876803 1072429210 /nfs/dbraw/zinc/42/92/10/1072429210.db2.gz ZKNNDVRAFROAIN-LBPRGKRZSA-N 1 2 430.552 -0.388 20 0 IBADLO NC(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000534887496 1072429489 /nfs/dbraw/zinc/42/94/89/1072429489.db2.gz VMWAWBKYLZTCAP-UHFFFAOYSA-N 1 2 433.494 -0.151 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963852 1072431324 /nfs/dbraw/zinc/43/13/24/1072431324.db2.gz NVDAUDHIGXUALN-CHWSQXEVSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963852 1072431319 /nfs/dbraw/zinc/43/13/19/1072431319.db2.gz NVDAUDHIGXUALN-CHWSQXEVSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963853 1072431568 /nfs/dbraw/zinc/43/15/68/1072431568.db2.gz NVDAUDHIGXUALN-OLZOCXBDSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963853 1072431560 /nfs/dbraw/zinc/43/15/60/1072431560.db2.gz NVDAUDHIGXUALN-OLZOCXBDSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963855 1072431409 /nfs/dbraw/zinc/43/14/09/1072431409.db2.gz NVDAUDHIGXUALN-QWHCGFSZSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963855 1072431404 /nfs/dbraw/zinc/43/14/04/1072431404.db2.gz NVDAUDHIGXUALN-QWHCGFSZSA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963857 1072431605 /nfs/dbraw/zinc/43/16/05/1072431605.db2.gz NVDAUDHIGXUALN-STQMWFEESA-N 1 2 439.517 -0.558 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)c(=O)[nH]c1=O ZINC000534963857 1072431603 /nfs/dbraw/zinc/43/16/03/1072431603.db2.gz NVDAUDHIGXUALN-STQMWFEESA-N 1 2 439.517 -0.558 20 0 IBADLO CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000534984266 1072431473 /nfs/dbraw/zinc/43/14/73/1072431473.db2.gz CTJQDZJTROHICP-UHFFFAOYSA-N 1 2 444.579 -0.270 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(N)(=O)=O)C3)[nH+]c3ccccc32)C1 ZINC000535130443 1072433286 /nfs/dbraw/zinc/43/32/86/1072433286.db2.gz RYVRVBAKNYDDBV-NEPJUHHUSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(N)(=O)=O)C3)c3ccccc3[nH+]2)C1 ZINC000535130452 1072433279 /nfs/dbraw/zinc/43/32/79/1072433279.db2.gz RYVRVBAKNYDDBV-NWDGAFQWSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(c2nc(N3CC[C@H](S(N)(=O)=O)C3)c3ccccc3[nH+]2)C1 ZINC000535130456 1072433443 /nfs/dbraw/zinc/43/34/43/1072433443.db2.gz RYVRVBAKNYDDBV-RYUDHWBXSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@@H](S(N)(=O)=O)C3)c3ccccc3[nH+]2)C1 ZINC000535130459 1072433382 /nfs/dbraw/zinc/43/33/82/1072433382.db2.gz RYVRVBAKNYDDBV-VXGBXAGGSA-N 1 2 426.524 -0.636 20 0 IBADLO O=C(NCC1CCS(=O)(=O)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000535201949 1072435037 /nfs/dbraw/zinc/43/50/37/1072435037.db2.gz QDTOUGYSVKJJOB-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(NCC1CCS(=O)(=O)CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000535201949 1072435029 /nfs/dbraw/zinc/43/50/29/1072435029.db2.gz QDTOUGYSVKJJOB-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(CN1CCN(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)CC1)N1CCOCC1 ZINC000535254927 1072436928 /nfs/dbraw/zinc/43/69/28/1072436928.db2.gz OCJIENVFBFUFGG-UHFFFAOYSA-N 1 2 435.594 -0.131 20 0 IBADLO O=C(Cn1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1)N1CCOCC1 ZINC000535260036 1074363285 /nfs/dbraw/zinc/36/32/85/1074363285.db2.gz FTKRMNWAPHWNSZ-UHFFFAOYSA-N 1 2 443.512 -0.524 20 0 IBADLO Cn1cc([C@H](CO)NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000535272291 1072436856 /nfs/dbraw/zinc/43/68/56/1072436856.db2.gz SZVOVRFIEKXLTE-INIZCTEOSA-N 1 2 437.526 -0.700 20 0 IBADLO Cn1cc([C@@H](CO)NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000535272295 1072437028 /nfs/dbraw/zinc/43/70/28/1072437028.db2.gz SZVOVRFIEKXLTE-MRXNPFEDSA-N 1 2 437.526 -0.700 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000535278048 1073378843 /nfs/dbraw/zinc/37/88/43/1073378843.db2.gz PAKFIPQZMHGTDH-KRWDZBQOSA-N 1 2 426.477 -0.595 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000535278048 1073378837 /nfs/dbraw/zinc/37/88/37/1073378837.db2.gz PAKFIPQZMHGTDH-KRWDZBQOSA-N 1 2 426.477 -0.595 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000535278052 1073378756 /nfs/dbraw/zinc/37/87/56/1073378756.db2.gz PAKFIPQZMHGTDH-QGZVFWFLSA-N 1 2 426.477 -0.595 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000535278052 1073378745 /nfs/dbraw/zinc/37/87/45/1073378745.db2.gz PAKFIPQZMHGTDH-QGZVFWFLSA-N 1 2 426.477 -0.595 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000535278814 1073378825 /nfs/dbraw/zinc/37/88/25/1073378825.db2.gz YZJCZPUZKYHOCQ-GOSISDBHSA-N 1 2 426.477 -0.017 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000535278814 1073378820 /nfs/dbraw/zinc/37/88/20/1073378820.db2.gz YZJCZPUZKYHOCQ-GOSISDBHSA-N 1 2 426.477 -0.017 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000535278815 1073379010 /nfs/dbraw/zinc/37/90/10/1073379010.db2.gz YZJCZPUZKYHOCQ-SFHVURJKSA-N 1 2 426.477 -0.017 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000535278815 1073378997 /nfs/dbraw/zinc/37/89/97/1073378997.db2.gz YZJCZPUZKYHOCQ-SFHVURJKSA-N 1 2 426.477 -0.017 20 0 IBADLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000535294816 1072437547 /nfs/dbraw/zinc/43/75/47/1072437547.db2.gz QBTLRGYJMIDKRT-BRWVUGGUSA-N 1 2 449.552 -0.218 20 0 IBADLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000535294818 1072437648 /nfs/dbraw/zinc/43/76/48/1072437648.db2.gz QBTLRGYJMIDKRT-GEYWLOKFSA-N 1 2 449.552 -0.218 20 0 IBADLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000535294819 1072437736 /nfs/dbraw/zinc/43/77/36/1072437736.db2.gz QBTLRGYJMIDKRT-MPWIWIEXSA-N 1 2 449.552 -0.218 20 0 IBADLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000535294820 1072438194 /nfs/dbraw/zinc/43/81/94/1072438194.db2.gz QBTLRGYJMIDKRT-ZACQAIPSSA-N 1 2 449.552 -0.218 20 0 IBADLO CCS(=O)(=O)N1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000535330520 1072438900 /nfs/dbraw/zinc/43/89/00/1072438900.db2.gz WBXIXMBLVJVMGA-UHFFFAOYSA-N 1 2 425.559 -0.288 20 0 IBADLO CCS(=O)(=O)NCC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000535354931 1072439479 /nfs/dbraw/zinc/43/94/79/1072439479.db2.gz PCVMQPABTDPGND-UHFFFAOYSA-N 1 2 440.566 -0.173 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000535386870 1072439932 /nfs/dbraw/zinc/43/99/32/1072439932.db2.gz ODERCPAJERKMAU-UHFFFAOYSA-N 1 2 445.538 -0.423 20 0 IBADLO COc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000535386870 1072439925 /nfs/dbraw/zinc/43/99/25/1072439925.db2.gz ODERCPAJERKMAU-UHFFFAOYSA-N 1 2 445.538 -0.423 20 0 IBADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc21 ZINC000535541762 1072442574 /nfs/dbraw/zinc/44/25/74/1072442574.db2.gz CXRWPXQTZLBBAS-UHFFFAOYSA-N 1 2 427.465 -0.633 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535544546 1072443123 /nfs/dbraw/zinc/44/31/23/1072443123.db2.gz PWGFJPNBNXOESR-HNNXBMFYSA-N 1 2 429.481 -0.341 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535544546 1072443118 /nfs/dbraw/zinc/44/31/18/1072443118.db2.gz PWGFJPNBNXOESR-HNNXBMFYSA-N 1 2 429.481 -0.341 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535544549 1072443034 /nfs/dbraw/zinc/44/30/34/1072443034.db2.gz PWGFJPNBNXOESR-OAHLLOKOSA-N 1 2 429.481 -0.341 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535544549 1072443026 /nfs/dbraw/zinc/44/30/26/1072443026.db2.gz PWGFJPNBNXOESR-OAHLLOKOSA-N 1 2 429.481 -0.341 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000535550439 1072443649 /nfs/dbraw/zinc/44/36/49/1072443649.db2.gz TXISGBAWDRITHU-UHFFFAOYSA-N 1 2 448.447 -0.374 20 0 IBADLO CCCCN(C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000535589460 1072445622 /nfs/dbraw/zinc/44/56/22/1072445622.db2.gz LBLQMAXGZHBIAQ-UHFFFAOYSA-N 1 2 444.558 -0.173 20 0 IBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535589714 1072445525 /nfs/dbraw/zinc/44/55/25/1072445525.db2.gz SCVBXLQLUUZLCH-UHFFFAOYSA-N 1 2 444.579 -0.031 20 0 IBADLO CCCCS(=O)(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535591114 1072445634 /nfs/dbraw/zinc/44/56/34/1072445634.db2.gz KQUGZEOLEVNWQR-UHFFFAOYSA-N 1 2 447.583 -0.631 20 0 IBADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000535680268 1071039309 /nfs/dbraw/zinc/03/93/09/1071039309.db2.gz KRILEGONRWYNLM-HNNXBMFYSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000535680268 1071039297 /nfs/dbraw/zinc/03/92/97/1071039297.db2.gz KRILEGONRWYNLM-HNNXBMFYSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000535680273 1071038729 /nfs/dbraw/zinc/03/87/29/1071038729.db2.gz KRILEGONRWYNLM-OAHLLOKOSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000535680273 1071038718 /nfs/dbraw/zinc/03/87/18/1071038718.db2.gz KRILEGONRWYNLM-OAHLLOKOSA-N 1 2 425.511 -0.934 20 0 IBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000535770134 1073314864 /nfs/dbraw/zinc/31/48/64/1073314864.db2.gz GUIPYFFJLAQGHD-UHFFFAOYSA-N 1 2 427.509 -0.186 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000535792283 1071040651 /nfs/dbraw/zinc/04/06/51/1071040651.db2.gz NQTDBJIIKKOHOM-UHFFFAOYSA-N 1 2 443.497 -0.342 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000535824499 1071043458 /nfs/dbraw/zinc/04/34/58/1071043458.db2.gz GVMCELGVLAQDDI-UHFFFAOYSA-N 1 2 427.527 -0.151 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000535824499 1071043450 /nfs/dbraw/zinc/04/34/50/1071043450.db2.gz GVMCELGVLAQDDI-UHFFFAOYSA-N 1 2 427.527 -0.151 20 0 IBADLO O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535829772 1071043474 /nfs/dbraw/zinc/04/34/74/1071043474.db2.gz ZRJQKVZSQLVHEK-DOTOQJQBSA-N 1 2 429.477 -0.444 20 0 IBADLO O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535829773 1071043403 /nfs/dbraw/zinc/04/34/03/1071043403.db2.gz ZRJQKVZSQLVHEK-NVXWUHKLSA-N 1 2 429.477 -0.444 20 0 IBADLO O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535829774 1071043518 /nfs/dbraw/zinc/04/35/18/1071043518.db2.gz ZRJQKVZSQLVHEK-RDJZCZTQSA-N 1 2 429.477 -0.444 20 0 IBADLO O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535829775 1071043555 /nfs/dbraw/zinc/04/35/55/1071043555.db2.gz ZRJQKVZSQLVHEK-WBVHZDCISA-N 1 2 429.477 -0.444 20 0 IBADLO CCc1noc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000535869963 1071046230 /nfs/dbraw/zinc/04/62/30/1071046230.db2.gz HDOIVEUOEQXVRH-UHFFFAOYSA-N 1 2 428.515 -0.880 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000536017042 1071165494 /nfs/dbraw/zinc/16/54/94/1071165494.db2.gz HCAYTZQULWWELW-UHFFFAOYSA-N 1 2 439.524 -0.376 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCCS(=O)(=O)NCC1CCC1 ZINC000536017589 1071165345 /nfs/dbraw/zinc/16/53/45/1071165345.db2.gz NWJJEFIJPXMXCD-UHFFFAOYSA-N 1 2 425.559 -0.383 20 0 IBADLO CC(C)(O)CN1CCN(C(=O)CSCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000536018567 1071164538 /nfs/dbraw/zinc/16/45/38/1071164538.db2.gz QXDNHCMBXSFTDB-UHFFFAOYSA-N 1 2 430.615 -0.450 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000536018700 1071164714 /nfs/dbraw/zinc/16/47/14/1071164714.db2.gz PGLLVAOHQYQVMJ-UHFFFAOYSA-N 1 2 437.526 -0.719 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000536019217 1071166195 /nfs/dbraw/zinc/16/61/95/1071166195.db2.gz UOXIXSWQBLDELG-UHFFFAOYSA-N 1 2 437.512 -0.432 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2c(c1)NC(=O)CO2 ZINC000536146973 1071204824 /nfs/dbraw/zinc/20/48/24/1071204824.db2.gz JMMGZGFMTKIHEC-UHFFFAOYSA-N 1 2 446.489 -0.311 20 0 IBADLO CCc1onc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000536210214 1071215319 /nfs/dbraw/zinc/21/53/19/1071215319.db2.gz NPIRERDRQSDBEM-UHFFFAOYSA-N 1 2 428.515 -0.880 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000536336066 1072288399 /nfs/dbraw/zinc/28/83/99/1072288399.db2.gz WLGVLYGCJCUBBQ-HNNXBMFYSA-N 1 2 435.462 -0.956 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000536336066 1072288391 /nfs/dbraw/zinc/28/83/91/1072288391.db2.gz WLGVLYGCJCUBBQ-HNNXBMFYSA-N 1 2 435.462 -0.956 20 0 IBADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)c(OC)c1 ZINC000536389034 1072293003 /nfs/dbraw/zinc/29/30/03/1072293003.db2.gz TUUWKOKTYGIWIF-UHFFFAOYSA-N 1 2 448.567 -0.055 20 0 IBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000536389989 1072293074 /nfs/dbraw/zinc/29/30/74/1072293074.db2.gz GQGONLXXVZXZHN-UHFFFAOYSA-N 1 2 448.567 -0.149 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886574 /nfs/dbraw/zinc/88/65/74/1072886574.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886562 /nfs/dbraw/zinc/88/65/62/1072886562.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886554 /nfs/dbraw/zinc/88/65/54/1072886554.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886545 /nfs/dbraw/zinc/88/65/45/1072886545.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 1 2 430.596 -0.066 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887753 /nfs/dbraw/zinc/88/77/53/1072887753.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887741 /nfs/dbraw/zinc/88/77/41/1072887741.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887726 /nfs/dbraw/zinc/88/77/26/1072887726.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887717 /nfs/dbraw/zinc/88/77/17/1072887717.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000536567373 1072887524 /nfs/dbraw/zinc/88/75/24/1072887524.db2.gz CKSJVOVTEWLQFB-KRWDZBQOSA-N 1 2 444.579 -0.467 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000536567373 1072887514 /nfs/dbraw/zinc/88/75/14/1072887514.db2.gz CKSJVOVTEWLQFB-KRWDZBQOSA-N 1 2 444.579 -0.467 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000536567374 1072887496 /nfs/dbraw/zinc/88/74/96/1072887496.db2.gz CKSJVOVTEWLQFB-QGZVFWFLSA-N 1 2 444.579 -0.467 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000536567374 1072887488 /nfs/dbraw/zinc/88/74/88/1072887488.db2.gz CKSJVOVTEWLQFB-QGZVFWFLSA-N 1 2 444.579 -0.467 20 0 IBADLO CN(CCN1CCCC1=O)c1nc(N(C)CCN2CCCC2=O)[nH+]c(N2CCOCC2)n1 ZINC000536575245 1072889579 /nfs/dbraw/zinc/88/95/79/1072889579.db2.gz RHXBDNIWJFAUHV-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO CN(CCN1CCCC1=O)c1nc(N2CCOCC2)nc(N(C)CCN2CCCC2=O)[nH+]1 ZINC000536575245 1072889570 /nfs/dbraw/zinc/88/95/70/1072889570.db2.gz RHXBDNIWJFAUHV-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575758 1072889499 /nfs/dbraw/zinc/88/94/99/1072889499.db2.gz FIRLHJFVKMROAA-DVOMOZLQSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575758 1072889485 /nfs/dbraw/zinc/88/94/85/1072889485.db2.gz FIRLHJFVKMROAA-DVOMOZLQSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575759 1072889327 /nfs/dbraw/zinc/88/93/27/1072889327.db2.gz FIRLHJFVKMROAA-HEHGZKQESA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575759 1072889315 /nfs/dbraw/zinc/88/93/15/1072889315.db2.gz FIRLHJFVKMROAA-HEHGZKQESA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575760 1072889630 /nfs/dbraw/zinc/88/96/30/1072889630.db2.gz FIRLHJFVKMROAA-WOSRLPQWSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575760 1072889620 /nfs/dbraw/zinc/88/96/20/1072889620.db2.gz FIRLHJFVKMROAA-WOSRLPQWSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575761 1072889607 /nfs/dbraw/zinc/88/96/07/1072889607.db2.gz FIRLHJFVKMROAA-XJKCOSOUSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000536575761 1072889597 /nfs/dbraw/zinc/88/95/97/1072889597.db2.gz FIRLHJFVKMROAA-XJKCOSOUSA-N 1 2 432.568 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000536593525 1072890598 /nfs/dbraw/zinc/89/05/98/1072890598.db2.gz NQQJMWQFGNGXTE-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000536593526 1072890461 /nfs/dbraw/zinc/89/04/61/1072890461.db2.gz NQQJMWQFGNGXTE-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO CN(CCc1cnccn1)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCc2cnccn2)CC1 ZINC000536719631 1072967396 /nfs/dbraw/zinc/96/73/96/1072967396.db2.gz WDMULKOEFMVEDF-UHFFFAOYSA-N 1 2 440.552 -0.414 20 0 IBADLO CN(CCc1cnccn1)CC(=O)N1CCN(C(=O)C[N@H+](C)CCc2cnccn2)CC1 ZINC000536719631 1072967394 /nfs/dbraw/zinc/96/73/94/1072967394.db2.gz WDMULKOEFMVEDF-UHFFFAOYSA-N 1 2 440.552 -0.414 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000536750167 1072967819 /nfs/dbraw/zinc/96/78/19/1072967819.db2.gz SYWOLBGVLMPIHE-INIZCTEOSA-N 1 2 427.502 -0.729 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000536750167 1072967815 /nfs/dbraw/zinc/96/78/15/1072967815.db2.gz SYWOLBGVLMPIHE-INIZCTEOSA-N 1 2 427.502 -0.729 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000536750168 1072967772 /nfs/dbraw/zinc/96/77/72/1072967772.db2.gz SYWOLBGVLMPIHE-MRXNPFEDSA-N 1 2 427.502 -0.729 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000536750168 1072967768 /nfs/dbraw/zinc/96/77/68/1072967768.db2.gz SYWOLBGVLMPIHE-MRXNPFEDSA-N 1 2 427.502 -0.729 20 0 IBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000536892423 1072968372 /nfs/dbraw/zinc/96/83/72/1072968372.db2.gz GPYUBHVKTKLJTG-UHFFFAOYSA-N 1 2 425.598 -0.081 20 0 IBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000536892423 1072968367 /nfs/dbraw/zinc/96/83/67/1072968367.db2.gz GPYUBHVKTKLJTG-UHFFFAOYSA-N 1 2 425.598 -0.081 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)ccc2[nH+]1 ZINC000536924572 1072969414 /nfs/dbraw/zinc/96/94/14/1072969414.db2.gz HCSWZMMBOKYIKF-UHFFFAOYSA-N 1 2 428.449 -0.889 20 0 IBADLO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1NS(C)(=O)=O ZINC000536979648 1072972030 /nfs/dbraw/zinc/97/20/30/1072972030.db2.gz WLKKMRBDTOENOO-UHFFFAOYSA-N 1 2 441.510 -0.715 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1NS(C)(=O)=O ZINC000537001419 1072972758 /nfs/dbraw/zinc/97/27/58/1072972758.db2.gz PWMYJRKHKXYEMO-UHFFFAOYSA-N 1 2 428.511 -0.080 20 0 IBADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 ZINC000537005355 1072973741 /nfs/dbraw/zinc/97/37/41/1072973741.db2.gz SKPFGHOPYRQFDA-AWEZNQCLSA-N 1 2 428.511 -0.080 20 0 IBADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 ZINC000537005356 1072973608 /nfs/dbraw/zinc/97/36/08/1072973608.db2.gz SKPFGHOPYRQFDA-CQSZACIVSA-N 1 2 428.511 -0.080 20 0 IBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000537021235 1072974320 /nfs/dbraw/zinc/97/43/20/1072974320.db2.gz MMUFNJPDHPLIFL-HNNXBMFYSA-N 1 2 433.552 -0.136 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000537021235 1072974317 /nfs/dbraw/zinc/97/43/17/1072974317.db2.gz MMUFNJPDHPLIFL-HNNXBMFYSA-N 1 2 433.552 -0.136 20 0 IBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000537021236 1072974271 /nfs/dbraw/zinc/97/42/71/1072974271.db2.gz MMUFNJPDHPLIFL-OAHLLOKOSA-N 1 2 433.552 -0.136 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000537021236 1072974265 /nfs/dbraw/zinc/97/42/65/1072974265.db2.gz MMUFNJPDHPLIFL-OAHLLOKOSA-N 1 2 433.552 -0.136 20 0 IBADLO COCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000537030705 1072974129 /nfs/dbraw/zinc/97/41/29/1072974129.db2.gz CPFNVOMZWIGNHR-UHFFFAOYSA-N 1 2 432.568 -0.369 20 0 IBADLO CN(C)c1nccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000537191737 1072978978 /nfs/dbraw/zinc/97/89/78/1072978978.db2.gz XSLZSLGDUPJLIV-UHFFFAOYSA-N 1 2 448.553 -0.111 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC(C)(C)N3CCOCC3)ccn2)CC1 ZINC000537230483 1072979590 /nfs/dbraw/zinc/97/95/90/1072979590.db2.gz LINSKHUHHWVXDB-UHFFFAOYSA-N 1 2 432.525 -0.365 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccn2)CC1 ZINC000537262226 1072981248 /nfs/dbraw/zinc/98/12/48/1072981248.db2.gz DRPCSCOWCWUIAF-UHFFFAOYSA-N 1 2 439.519 -0.661 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)ccn2)CC1 ZINC000537266399 1072979386 /nfs/dbraw/zinc/97/93/86/1072979386.db2.gz RXOZDSFMYFRUKU-UHFFFAOYSA-N 1 2 439.519 -0.661 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@H](Cn4cccn4)C3)ccn2)CC1 ZINC000537276739 1072980697 /nfs/dbraw/zinc/98/06/97/1072980697.db2.gz WGNYXPRJMZHEBC-KRWDZBQOSA-N 1 2 441.492 -0.468 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@@H](Cn4cccn4)C3)ccn2)CC1 ZINC000537276740 1072980885 /nfs/dbraw/zinc/98/08/85/1072980885.db2.gz WGNYXPRJMZHEBC-QGZVFWFLSA-N 1 2 441.492 -0.468 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3C(=O)NC3CC3)ccn2)CC1 ZINC000537276923 1072980655 /nfs/dbraw/zinc/98/06/55/1072980655.db2.gz BNTYHXCWDKFMOZ-KRWDZBQOSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)NC3CC3)ccn2)CC1 ZINC000537276924 1072980722 /nfs/dbraw/zinc/98/07/22/1072980722.db2.gz BNTYHXCWDKFMOZ-QGZVFWFLSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)ccn2)CC1 ZINC000537281551 1072980910 /nfs/dbraw/zinc/98/09/10/1072980910.db2.gz JSUUGJIOKDOSSV-UHFFFAOYSA-N 1 2 438.492 -0.454 20 0 IBADLO CCOCCN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000537282557 1072980761 /nfs/dbraw/zinc/98/07/61/1072980761.db2.gz DOPYFGYHWGQZMG-UHFFFAOYSA-N 1 2 432.525 -0.412 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000537282928 1072980938 /nfs/dbraw/zinc/98/09/38/1072980938.db2.gz UFNBVGQGSUUASB-ACRUOGEOSA-N 1 2 445.564 -0.080 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000537282929 1072980787 /nfs/dbraw/zinc/98/07/87/1072980787.db2.gz UFNBVGQGSUUASB-HBMCJLEFSA-N 1 2 445.564 -0.080 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000537282930 1072980950 /nfs/dbraw/zinc/98/09/50/1072980950.db2.gz UFNBVGQGSUUASB-PCCBWWKXSA-N 1 2 445.564 -0.080 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000537282931 1072980667 /nfs/dbraw/zinc/98/06/67/1072980667.db2.gz UFNBVGQGSUUASB-PWRODBHTSA-N 1 2 445.564 -0.080 20 0 IBADLO COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OCCO ZINC000537297254 1072981492 /nfs/dbraw/zinc/98/14/92/1072981492.db2.gz SEZZCAPCZDTLEK-UHFFFAOYSA-N 1 2 442.538 -0.684 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)nc2n(C)c1=O ZINC000537323744 1072982885 /nfs/dbraw/zinc/98/28/85/1072982885.db2.gz YBYQDZNPRDQFFW-UHFFFAOYSA-N 1 2 437.460 -0.333 20 0 IBADLO Cc1c[nH+]c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000537346443 1072983455 /nfs/dbraw/zinc/98/34/55/1072983455.db2.gz RFQWYLDYWOTNEI-GJZGRUSLSA-N 1 2 446.599 -0.275 20 0 IBADLO O=C(NCC(=O)N1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000537362801 1072984248 /nfs/dbraw/zinc/98/42/48/1072984248.db2.gz GRUMQRUELQKMSE-INIZCTEOSA-N 1 2 433.513 -0.560 20 0 IBADLO O=C(NCC(=O)N1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000537362801 1072984242 /nfs/dbraw/zinc/98/42/42/1072984242.db2.gz GRUMQRUELQKMSE-INIZCTEOSA-N 1 2 433.513 -0.560 20 0 IBADLO O=C(NCC(=O)N1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000537362804 1072984168 /nfs/dbraw/zinc/98/41/68/1072984168.db2.gz GRUMQRUELQKMSE-MRXNPFEDSA-N 1 2 433.513 -0.560 20 0 IBADLO O=C(NCC(=O)N1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000537362804 1072984159 /nfs/dbraw/zinc/98/41/59/1072984159.db2.gz GRUMQRUELQKMSE-MRXNPFEDSA-N 1 2 433.513 -0.560 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCCOc1ccc(F)cc1 ZINC000537427618 1072986815 /nfs/dbraw/zinc/98/68/15/1072986815.db2.gz VKWNTTUVZQMRDK-UHFFFAOYSA-N 1 2 436.440 -0.166 20 0 IBADLO COc1ccccc1CCNC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000537428983 1072986996 /nfs/dbraw/zinc/98/69/96/1072986996.db2.gz NECJORVTYPDMDK-UHFFFAOYSA-N 1 2 432.477 -0.133 20 0 IBADLO COCCN1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1=O ZINC000537438138 1072986859 /nfs/dbraw/zinc/98/68/59/1072986859.db2.gz MGMCDNKQQQUXRG-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000537439244 1072986737 /nfs/dbraw/zinc/98/67/37/1072986737.db2.gz HZOYXTWBQFWYAK-FQEVSTJZSA-N 1 2 445.520 -0.347 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000537439252 1072986923 /nfs/dbraw/zinc/98/69/23/1072986923.db2.gz HZOYXTWBQFWYAK-HXUWFJFHSA-N 1 2 445.520 -0.347 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H](C)O)CC3)cc2)CC1 ZINC000537439738 1072986765 /nfs/dbraw/zinc/98/67/65/1072986765.db2.gz UPPAKHUTGFOQLW-INIZCTEOSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)cc2)CC1 ZINC000537439739 1072986752 /nfs/dbraw/zinc/98/67/52/1072986752.db2.gz UPPAKHUTGFOQLW-MRXNPFEDSA-N 1 2 445.520 -0.659 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cc2)CC1 ZINC000537442206 1072986782 /nfs/dbraw/zinc/98/67/82/1072986782.db2.gz YXHOSTHXTOZMGT-KDOFPFPSSA-N 1 2 431.493 -0.610 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)cc2)CC1 ZINC000537442209 1072986963 /nfs/dbraw/zinc/98/69/63/1072986963.db2.gz YXHOSTHXTOZMGT-RDTXWAMCSA-N 1 2 431.493 -0.610 20 0 IBADLO Cn1ccnc(N2CCC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)c1=O ZINC000537512974 1073001888 /nfs/dbraw/zinc/00/18/88/1073001888.db2.gz ASGWAOWZZAYTRM-KRWDZBQOSA-N 1 2 441.540 -0.340 20 0 IBADLO Cn1ccnc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)c1=O ZINC000537512975 1073001866 /nfs/dbraw/zinc/00/18/66/1073001866.db2.gz ASGWAOWZZAYTRM-QGZVFWFLSA-N 1 2 441.540 -0.340 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000537524094 1073002850 /nfs/dbraw/zinc/00/28/50/1073002850.db2.gz DXVTZJYUSOSNPT-UHFFFAOYSA-N 1 2 441.554 -0.473 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000537524094 1073002844 /nfs/dbraw/zinc/00/28/44/1073002844.db2.gz DXVTZJYUSOSNPT-UHFFFAOYSA-N 1 2 441.554 -0.473 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000537525600 1073002902 /nfs/dbraw/zinc/00/29/02/1073002902.db2.gz YRIAKJHSTVYCQM-UHFFFAOYSA-N 1 2 425.555 -0.136 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000537525600 1073002899 /nfs/dbraw/zinc/00/28/99/1073002899.db2.gz YRIAKJHSTVYCQM-UHFFFAOYSA-N 1 2 425.555 -0.136 20 0 IBADLO Cc1cccc2nc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn21 ZINC000537605478 1073018796 /nfs/dbraw/zinc/01/87/96/1073018796.db2.gz PACJGRYTPONIEK-UHFFFAOYSA-N 1 2 435.554 -0.038 20 0 IBADLO CCOC(=O)C=c1sc(=Cc2cccc3[nH+]ccn32)c(=O)n1CC(=O)N1CCOCC1 ZINC000537652716 1073048259 /nfs/dbraw/zinc/04/82/59/1073048259.db2.gz TWEXQSVZJUSQAQ-UHFFFAOYSA-N 1 2 442.497 -0.411 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000537683302 1073054416 /nfs/dbraw/zinc/05/44/16/1073054416.db2.gz JPQXQHVCALXVQK-UHFFFAOYSA-N 1 2 439.534 -0.340 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000537683451 1073054513 /nfs/dbraw/zinc/05/45/13/1073054513.db2.gz IIXLYXQLEPDODF-UHFFFAOYSA-N 1 2 444.510 -0.876 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000537685210 1073055038 /nfs/dbraw/zinc/05/50/38/1073055038.db2.gz XSMAFKNCMZDPHH-UHFFFAOYSA-N 1 2 443.497 -0.342 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000537685509 1073054992 /nfs/dbraw/zinc/05/49/92/1073054992.db2.gz MGBIKUOUEVBCIP-UHFFFAOYSA-N 1 2 443.497 -0.342 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000537708075 1073118038 /nfs/dbraw/zinc/11/80/38/1073118038.db2.gz RJCWSROJHBGCIU-UHFFFAOYSA-N 1 2 427.527 -0.151 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000537708075 1073118035 /nfs/dbraw/zinc/11/80/35/1073118035.db2.gz RJCWSROJHBGCIU-UHFFFAOYSA-N 1 2 427.527 -0.151 20 0 IBADLO O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000537835826 1073122572 /nfs/dbraw/zinc/12/25/72/1073122572.db2.gz BCWIZKDBPSWFML-UHFFFAOYSA-N 1 2 428.489 -0.056 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)CC1 ZINC000537838799 1073122383 /nfs/dbraw/zinc/12/23/83/1073122383.db2.gz WMFYMHLFKQZUNY-UHFFFAOYSA-N 1 2 429.495 -0.021 20 0 IBADLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000537844696 1073123320 /nfs/dbraw/zinc/12/33/20/1073123320.db2.gz DAWZHGVDWJCDGJ-UHFFFAOYSA-N 1 2 444.532 -0.166 20 0 IBADLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000537844696 1073123318 /nfs/dbraw/zinc/12/33/18/1073123318.db2.gz DAWZHGVDWJCDGJ-UHFFFAOYSA-N 1 2 444.532 -0.166 20 0 IBADLO Cn1c(SCC(=O)N2CCN(C)CC2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000537849360 1073123240 /nfs/dbraw/zinc/12/32/40/1073123240.db2.gz YMZNLSTXXUSCNO-UHFFFAOYSA-N 1 2 427.600 -0.453 20 0 IBADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000537860088 1073124354 /nfs/dbraw/zinc/12/43/54/1073124354.db2.gz ZJROBQOHEBQNOD-KRWDZBQOSA-N 1 2 437.566 -0.251 20 0 IBADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000537860088 1073124349 /nfs/dbraw/zinc/12/43/49/1073124349.db2.gz ZJROBQOHEBQNOD-KRWDZBQOSA-N 1 2 437.566 -0.251 20 0 IBADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000537860089 1073124291 /nfs/dbraw/zinc/12/42/91/1073124291.db2.gz ZJROBQOHEBQNOD-QGZVFWFLSA-N 1 2 437.566 -0.251 20 0 IBADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000537860089 1073124288 /nfs/dbraw/zinc/12/42/88/1073124288.db2.gz ZJROBQOHEBQNOD-QGZVFWFLSA-N 1 2 437.566 -0.251 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863968 1073124395 /nfs/dbraw/zinc/12/43/95/1073124395.db2.gz XMKZSVNBXBJTOQ-DOTOQJQBSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863968 1073124390 /nfs/dbraw/zinc/12/43/90/1073124390.db2.gz XMKZSVNBXBJTOQ-DOTOQJQBSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863972 1073124425 /nfs/dbraw/zinc/12/44/25/1073124425.db2.gz XMKZSVNBXBJTOQ-NVXWUHKLSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863972 1073124423 /nfs/dbraw/zinc/12/44/23/1073124423.db2.gz XMKZSVNBXBJTOQ-NVXWUHKLSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863975 1073125011 /nfs/dbraw/zinc/12/50/11/1073125011.db2.gz XMKZSVNBXBJTOQ-RDJZCZTQSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863975 1073125006 /nfs/dbraw/zinc/12/50/06/1073125006.db2.gz XMKZSVNBXBJTOQ-RDJZCZTQSA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863977 1073125031 /nfs/dbraw/zinc/12/50/31/1073125031.db2.gz XMKZSVNBXBJTOQ-WBVHZDCISA-N 1 2 444.579 -0.421 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC000537863977 1073125025 /nfs/dbraw/zinc/12/50/25/1073125025.db2.gz XMKZSVNBXBJTOQ-WBVHZDCISA-N 1 2 444.579 -0.421 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)C1(C(N)=O)CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000537864403 1073124271 /nfs/dbraw/zinc/12/42/71/1073124271.db2.gz VYOOPPMSIKEOBH-UHFFFAOYSA-N 1 2 438.529 -0.104 20 0 IBADLO COCCN(C(=O)C[N@H+](C)C1(C(N)=O)CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000537864403 1073124266 /nfs/dbraw/zinc/12/42/66/1073124266.db2.gz VYOOPPMSIKEOBH-UHFFFAOYSA-N 1 2 438.529 -0.104 20 0 IBADLO C[C@@H]1C[N@H+](CCOC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000538046422 1073131788 /nfs/dbraw/zinc/13/17/88/1073131788.db2.gz ZQOIPCKZFDECLF-GASCZTMLSA-N 1 2 437.541 -0.561 20 0 IBADLO C[C@@H]1C[N@@H+](CCOC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000538046422 1073131784 /nfs/dbraw/zinc/13/17/84/1073131784.db2.gz ZQOIPCKZFDECLF-GASCZTMLSA-N 1 2 437.541 -0.561 20 0 IBADLO C[C@H]1C[NH+](CCOC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000538046423 1073131750 /nfs/dbraw/zinc/13/17/50/1073131750.db2.gz ZQOIPCKZFDECLF-GJZGRUSLSA-N 1 2 437.541 -0.561 20 0 IBADLO C[C@@H]1C[NH+](CCOC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000538046424 1073131862 /nfs/dbraw/zinc/13/18/62/1073131862.db2.gz ZQOIPCKZFDECLF-HUUCEWRRSA-N 1 2 437.541 -0.561 20 0 IBADLO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000538067091 1073133635 /nfs/dbraw/zinc/13/36/35/1073133635.db2.gz CUMNNJFNJHJIAV-UHFFFAOYSA-N 1 2 428.497 -0.104 20 0 IBADLO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000538067091 1073133630 /nfs/dbraw/zinc/13/36/30/1073133630.db2.gz CUMNNJFNJHJIAV-UHFFFAOYSA-N 1 2 428.497 -0.104 20 0 IBADLO COCCCOC1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000538071349 1073134067 /nfs/dbraw/zinc/13/40/67/1073134067.db2.gz QPSUNYQMVCQUCV-UHFFFAOYSA-N 1 2 441.554 -0.020 20 0 IBADLO NC(=O)C1(CNc2nc(NCC3(C(N)=O)CCOCC3)c3ccccc3[nH+]2)CCOCC1 ZINC000538086540 1073135330 /nfs/dbraw/zinc/13/53/30/1073135330.db2.gz KMTCBKQSFDXDCF-UHFFFAOYSA-N 1 2 442.520 -0.138 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000538097073 1073136495 /nfs/dbraw/zinc/13/64/95/1073136495.db2.gz PFKZKBIIAPNZPT-INIZCTEOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000538097073 1073136487 /nfs/dbraw/zinc/13/64/87/1073136487.db2.gz PFKZKBIIAPNZPT-INIZCTEOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000538097074 1073137063 /nfs/dbraw/zinc/13/70/63/1073137063.db2.gz PFKZKBIIAPNZPT-MRXNPFEDSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000538097074 1073137059 /nfs/dbraw/zinc/13/70/59/1073137059.db2.gz PFKZKBIIAPNZPT-MRXNPFEDSA-N 1 2 448.542 -0.589 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000538097169 1073362437 /nfs/dbraw/zinc/36/24/37/1073362437.db2.gz WMDYJAXFHHLDMA-UHFFFAOYSA-N 1 2 432.510 -0.052 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098424 1073137013 /nfs/dbraw/zinc/13/70/13/1073137013.db2.gz IDFMIGPWQLNDJI-CHWSQXEVSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098424 1073137010 /nfs/dbraw/zinc/13/70/10/1073137010.db2.gz IDFMIGPWQLNDJI-CHWSQXEVSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098425 1073137143 /nfs/dbraw/zinc/13/71/43/1073137143.db2.gz IDFMIGPWQLNDJI-OLZOCXBDSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098425 1073137141 /nfs/dbraw/zinc/13/71/41/1073137141.db2.gz IDFMIGPWQLNDJI-OLZOCXBDSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098426 1073136963 /nfs/dbraw/zinc/13/69/63/1073136963.db2.gz IDFMIGPWQLNDJI-QWHCGFSZSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098426 1073136957 /nfs/dbraw/zinc/13/69/57/1073136957.db2.gz IDFMIGPWQLNDJI-QWHCGFSZSA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098427 1073137126 /nfs/dbraw/zinc/13/71/26/1073137126.db2.gz IDFMIGPWQLNDJI-STQMWFEESA-N 1 2 428.511 -0.081 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000538098427 1073137122 /nfs/dbraw/zinc/13/71/22/1073137122.db2.gz IDFMIGPWQLNDJI-STQMWFEESA-N 1 2 428.511 -0.081 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN([C@@H](C)C(=O)N4CCOCC4)CC3)ccc2[nH+]1 ZINC000538100152 1073134019 /nfs/dbraw/zinc/13/40/19/1073134019.db2.gz BUEYVBNIPKIWND-INIZCTEOSA-N 1 2 428.493 -0.027 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN([C@H](C)C(=O)N4CCOCC4)CC3)ccc2[nH+]1 ZINC000538100156 1073134043 /nfs/dbraw/zinc/13/40/43/1073134043.db2.gz BUEYVBNIPKIWND-MRXNPFEDSA-N 1 2 428.493 -0.027 20 0 IBADLO CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)CC2)C1=O ZINC000538105280 1073138264 /nfs/dbraw/zinc/13/82/64/1073138264.db2.gz AOJOFIRIDLTABF-UHFFFAOYSA-N 1 2 442.520 -0.085 20 0 IBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000538180476 1073140116 /nfs/dbraw/zinc/14/01/16/1073140116.db2.gz NAAVOYPGHMWHNR-UHFFFAOYSA-N 1 2 440.468 -0.485 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1)N1CCCC1 ZINC000538183216 1073140729 /nfs/dbraw/zinc/14/07/29/1073140729.db2.gz FPCZHJQXRHEERD-UHFFFAOYSA-N 1 2 444.471 -0.103 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1)N1CCCC1 ZINC000538183216 1073140727 /nfs/dbraw/zinc/14/07/27/1073140727.db2.gz FPCZHJQXRHEERD-UHFFFAOYSA-N 1 2 444.471 -0.103 20 0 IBADLO CN1C(=O)NC2(CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)C1=O ZINC000538209592 1073143442 /nfs/dbraw/zinc/14/34/42/1073143442.db2.gz LRXRNRNLFVMIHV-UHFFFAOYSA-N 1 2 443.508 -0.154 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000538265423 1073144582 /nfs/dbraw/zinc/14/45/82/1073144582.db2.gz HMNAUUCQGZJYQE-UHFFFAOYSA-N 1 2 433.552 -0.558 20 0 IBADLO Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000538365389 1073148201 /nfs/dbraw/zinc/14/82/01/1073148201.db2.gz AWDOFHRJUAHEBM-UHFFFAOYSA-N 1 2 442.505 -0.118 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)ccn2)CC1 ZINC000538367037 1073148106 /nfs/dbraw/zinc/14/81/06/1073148106.db2.gz WONUJOYBJJINRZ-UHFFFAOYSA-N 1 2 428.478 -0.332 20 0 IBADLO Cn1c2ccc(S(=O)(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)cc2n(C)c1=O ZINC000538373144 1073148500 /nfs/dbraw/zinc/14/85/00/1073148500.db2.gz OFHVXJUMGZYQJE-UHFFFAOYSA-N 1 2 444.517 -0.118 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)ccn2)CC1 ZINC000538376825 1073148585 /nfs/dbraw/zinc/14/85/85/1073148585.db2.gz QXLSKSHDPJBQSJ-KRWDZBQOSA-N 1 2 429.399 -0.067 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)ccn2)CC1 ZINC000538376826 1073148715 /nfs/dbraw/zinc/14/87/15/1073148715.db2.gz QXLSKSHDPJBQSJ-QGZVFWFLSA-N 1 2 429.399 -0.067 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)ccn2)CC1 ZINC000538376937 1073148642 /nfs/dbraw/zinc/14/86/42/1073148642.db2.gz CTFVGOWBSBTCNG-UHFFFAOYSA-N 1 2 430.509 -0.027 20 0 IBADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000538379880 1073147995 /nfs/dbraw/zinc/14/79/95/1073147995.db2.gz FFAHBGUZMIUUEG-HNNXBMFYSA-N 1 2 433.465 -0.802 20 0 IBADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000538379884 1073147937 /nfs/dbraw/zinc/14/79/37/1073147937.db2.gz FFAHBGUZMIUUEG-OAHLLOKOSA-N 1 2 433.465 -0.802 20 0 IBADLO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000538381098 1073148044 /nfs/dbraw/zinc/14/80/44/1073148044.db2.gz YGSXWMXNSLDACZ-HNNXBMFYSA-N 1 2 430.465 -0.940 20 0 IBADLO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000538381099 1073148135 /nfs/dbraw/zinc/14/81/35/1073148135.db2.gz YGSXWMXNSLDACZ-OAHLLOKOSA-N 1 2 430.465 -0.940 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCN3CCOC(C)(C)C3)ccn2)CC1 ZINC000538382059 1073147954 /nfs/dbraw/zinc/14/79/54/1073147954.db2.gz IRVGGFKCWYXFSE-UHFFFAOYSA-N 1 2 432.525 -0.365 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)ccn2)CC1 ZINC000538384236 1073147981 /nfs/dbraw/zinc/14/79/81/1073147981.db2.gz SLIWEAAEVDBIQT-UHFFFAOYSA-N 1 2 438.492 -0.454 20 0 IBADLO Cn1c(=O)c2cc(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)cnc2n(C)c1=O ZINC000538425333 1073149975 /nfs/dbraw/zinc/14/99/75/1073149975.db2.gz WCLIOMJJLAHXEP-UHFFFAOYSA-N 1 2 437.460 -0.333 20 0 IBADLO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000538426544 1073150460 /nfs/dbraw/zinc/15/04/60/1073150460.db2.gz NRMZOEKEMQPYBA-UHFFFAOYSA-N 1 2 436.494 -0.176 20 0 IBADLO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000538426544 1073150458 /nfs/dbraw/zinc/15/04/58/1073150458.db2.gz NRMZOEKEMQPYBA-UHFFFAOYSA-N 1 2 436.494 -0.176 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000538427472 1073150493 /nfs/dbraw/zinc/15/04/93/1073150493.db2.gz VSDRZAFIPLBNOW-UHFFFAOYSA-N 1 2 433.494 -0.682 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000538427472 1073150491 /nfs/dbraw/zinc/15/04/91/1073150491.db2.gz VSDRZAFIPLBNOW-UHFFFAOYSA-N 1 2 433.494 -0.682 20 0 IBADLO Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2)cc1C(N)=O ZINC000538454497 1073151922 /nfs/dbraw/zinc/15/19/22/1073151922.db2.gz AYGXXDQQOSFWJX-UHFFFAOYSA-N 1 2 429.524 -0.235 20 0 IBADLO Cc1csc2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c(=O)n12 ZINC000538462320 1073151368 /nfs/dbraw/zinc/15/13/68/1073151368.db2.gz JQGADRJNNOHVCA-UHFFFAOYSA-N 1 2 440.551 -0.686 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000538493611 1073153289 /nfs/dbraw/zinc/15/32/89/1073153289.db2.gz VLTLIPIGRLJZCX-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC000538494105 1073153205 /nfs/dbraw/zinc/15/32/05/1073153205.db2.gz ZVDNZZKFPDHYSW-UHFFFAOYSA-N 1 2 445.520 -0.394 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)cc2)CC1 ZINC000538495281 1073153316 /nfs/dbraw/zinc/15/33/16/1073153316.db2.gz VOFRAYVGPNMMGU-UHFFFAOYSA-N 1 2 445.520 -0.346 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000538529671 1073155921 /nfs/dbraw/zinc/15/59/21/1073155921.db2.gz XYIIKYKCEVXAFS-UHFFFAOYSA-N 1 2 438.506 -0.050 20 0 IBADLO COc1ccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000538530091 1073155916 /nfs/dbraw/zinc/15/59/16/1073155916.db2.gz HOSXBLUJMNTPKB-UHFFFAOYSA-N 1 2 447.448 -0.144 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC[C@H]1COc2ccccc2O1 ZINC000538530286 1073155929 /nfs/dbraw/zinc/15/59/29/1073155929.db2.gz VXRQHOYTRINPSV-HNNXBMFYSA-N 1 2 446.460 -0.544 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000538530292 1073155969 /nfs/dbraw/zinc/15/59/69/1073155969.db2.gz VXRQHOYTRINPSV-OAHLLOKOSA-N 1 2 446.460 -0.544 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCCOc1cccc(F)c1 ZINC000538530515 1073156022 /nfs/dbraw/zinc/15/60/22/1073156022.db2.gz BNKFBZXCOAPCAW-UHFFFAOYSA-N 1 2 436.440 -0.166 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC[C@@H]1Cc2ccccc2O1 ZINC000538531390 1073156088 /nfs/dbraw/zinc/15/60/88/1073156088.db2.gz MTTFVIGLAIHELV-INIZCTEOSA-N 1 2 430.461 -0.381 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC[C@H]1Cc2ccccc2O1 ZINC000538531403 1073156054 /nfs/dbraw/zinc/15/60/54/1073156054.db2.gz MTTFVIGLAIHELV-MRXNPFEDSA-N 1 2 430.461 -0.381 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C(C)C)C3=O)cc2)CC1 ZINC000538538611 1073155526 /nfs/dbraw/zinc/15/55/26/1073155526.db2.gz ASKUEUQEVYJFNZ-GOSISDBHSA-N 1 2 443.504 -0.059 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C(C)C)C3=O)cc2)CC1 ZINC000538538613 1073155366 /nfs/dbraw/zinc/15/53/66/1073155366.db2.gz ASKUEUQEVYJFNZ-SFHVURJKSA-N 1 2 443.504 -0.059 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(OCC(=O)N(C)C)C3)cc2)CC1 ZINC000538540461 1073155498 /nfs/dbraw/zinc/15/54/98/1073155498.db2.gz OODQZENHEKDBIR-UHFFFAOYSA-N 1 2 445.520 -0.395 20 0 IBADLO COCCOc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000538589098 1073157618 /nfs/dbraw/zinc/15/76/18/1073157618.db2.gz PATMMZKHIGVIAW-UHFFFAOYSA-N 1 2 427.527 -0.643 20 0 IBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC1 ZINC000538613798 1073157499 /nfs/dbraw/zinc/15/74/99/1073157499.db2.gz GAVLKVBVJXHBPW-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000538627241 1073158126 /nfs/dbraw/zinc/15/81/26/1073158126.db2.gz JCEXTAHREAESAO-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000538627241 1073158122 /nfs/dbraw/zinc/15/81/22/1073158122.db2.gz JCEXTAHREAESAO-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CCOCCOC1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000538666707 1073158461 /nfs/dbraw/zinc/15/84/61/1073158461.db2.gz BBDWMOQBLRVSOE-UHFFFAOYSA-N 1 2 441.554 -0.020 20 0 IBADLO Cn1c2ncn(CC[N@@H+](C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668080 1073158575 /nfs/dbraw/zinc/15/85/75/1073158575.db2.gz PUPASZZXABVEQR-KBPBESRZSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@H+](C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668080 1073158572 /nfs/dbraw/zinc/15/85/72/1073158572.db2.gz PUPASZZXABVEQR-KBPBESRZSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668081 1073158616 /nfs/dbraw/zinc/15/86/16/1073158616.db2.gz PUPASZZXABVEQR-KGLIPLIRSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@H+](C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668081 1073158612 /nfs/dbraw/zinc/15/86/12/1073158612.db2.gz PUPASZZXABVEQR-KGLIPLIRSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@@H+](C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668082 1073158653 /nfs/dbraw/zinc/15/86/53/1073158653.db2.gz PUPASZZXABVEQR-UONOGXRCSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@H+](C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668082 1073158648 /nfs/dbraw/zinc/15/86/48/1073158648.db2.gz PUPASZZXABVEQR-UONOGXRCSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@@H+](C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668083 1073159137 /nfs/dbraw/zinc/15/91/37/1073159137.db2.gz PUPASZZXABVEQR-ZIAGYGMSSA-N 1 2 425.511 -0.898 20 0 IBADLO Cn1c2ncn(CC[N@H+](C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000538668083 1073159135 /nfs/dbraw/zinc/15/91/35/1073159135.db2.gz PUPASZZXABVEQR-ZIAGYGMSSA-N 1 2 425.511 -0.898 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000538785912 1073163026 /nfs/dbraw/zinc/16/30/26/1073163026.db2.gz RMFYRNAQQJELRO-UHFFFAOYSA-N 1 2 436.484 -0.092 20 0 IBADLO COC(=O)C1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)(C(=O)OC)CC1 ZINC000538806930 1073163293 /nfs/dbraw/zinc/16/32/93/1073163293.db2.gz ZOJYUYZXJKNGLH-TZQQIIETSA-N 1 2 439.509 -0.442 20 0 IBADLO COC(=O)C1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)(C(=O)OC)CC1 ZINC000538806931 1073163408 /nfs/dbraw/zinc/16/34/08/1073163408.db2.gz ZOJYUYZXJKNGLH-ZGOJQLDESA-N 1 2 439.509 -0.442 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)co1 ZINC000538839481 1073165362 /nfs/dbraw/zinc/16/53/62/1073165362.db2.gz HUGIQVAJCITFGK-AWEZNQCLSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)co1 ZINC000538839481 1073165357 /nfs/dbraw/zinc/16/53/57/1073165357.db2.gz HUGIQVAJCITFGK-AWEZNQCLSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)co1 ZINC000538839482 1073165396 /nfs/dbraw/zinc/16/53/96/1073165396.db2.gz HUGIQVAJCITFGK-CQSZACIVSA-N 1 2 436.494 -0.048 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)co1 ZINC000538839482 1073165391 /nfs/dbraw/zinc/16/53/91/1073165391.db2.gz HUGIQVAJCITFGK-CQSZACIVSA-N 1 2 436.494 -0.048 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000538920745 1073167465 /nfs/dbraw/zinc/16/74/65/1073167465.db2.gz VEDULNKFWBDACO-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000538920746 1073167456 /nfs/dbraw/zinc/16/74/56/1073167456.db2.gz VEDULNKFWBDACO-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000538962009 1073171712 /nfs/dbraw/zinc/17/17/12/1073171712.db2.gz QGBRRHMRQLFCRF-KRWDZBQOSA-N 1 2 437.566 -0.306 20 0 IBADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000538962009 1073171702 /nfs/dbraw/zinc/17/17/02/1073171702.db2.gz QGBRRHMRQLFCRF-KRWDZBQOSA-N 1 2 437.566 -0.306 20 0 IBADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000538962010 1073171768 /nfs/dbraw/zinc/17/17/68/1073171768.db2.gz QGBRRHMRQLFCRF-QGZVFWFLSA-N 1 2 437.566 -0.306 20 0 IBADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000538962010 1073171761 /nfs/dbraw/zinc/17/17/61/1073171761.db2.gz QGBRRHMRQLFCRF-QGZVFWFLSA-N 1 2 437.566 -0.306 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000538962337 1073171820 /nfs/dbraw/zinc/17/18/20/1073171820.db2.gz BMIYIRJJIFAMJT-HNNXBMFYSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000538962337 1073171816 /nfs/dbraw/zinc/17/18/16/1073171816.db2.gz BMIYIRJJIFAMJT-HNNXBMFYSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000538962338 1073171663 /nfs/dbraw/zinc/17/16/63/1073171663.db2.gz BMIYIRJJIFAMJT-OAHLLOKOSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000538962338 1073171655 /nfs/dbraw/zinc/17/16/55/1073171655.db2.gz BMIYIRJJIFAMJT-OAHLLOKOSA-N 1 2 434.515 -0.979 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1C ZINC000538964111 1073171750 /nfs/dbraw/zinc/17/17/50/1073171750.db2.gz RVFJOSSRGKZDBS-KRWDZBQOSA-N 1 2 444.579 -0.501 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)CC2)cc1C ZINC000538964111 1073171744 /nfs/dbraw/zinc/17/17/44/1073171744.db2.gz RVFJOSSRGKZDBS-KRWDZBQOSA-N 1 2 444.579 -0.501 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1C ZINC000538964114 1073171628 /nfs/dbraw/zinc/17/16/28/1073171628.db2.gz RVFJOSSRGKZDBS-QGZVFWFLSA-N 1 2 444.579 -0.501 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1C ZINC000538964114 1073171617 /nfs/dbraw/zinc/17/16/17/1073171617.db2.gz RVFJOSSRGKZDBS-QGZVFWFLSA-N 1 2 444.579 -0.501 20 0 IBADLO Cn1c2[nH]c(CN3CC[NH+](CCNC(=O)c4ccccc4F)CC3)nc2c(=O)n(C)c1=O ZINC000538966758 1073171355 /nfs/dbraw/zinc/17/13/55/1073171355.db2.gz CPFXBAZIPIRKJV-UHFFFAOYSA-N 1 2 443.483 -0.353 20 0 IBADLO Cc1cn2c(ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2=O)s1 ZINC000539000119 1073172018 /nfs/dbraw/zinc/17/20/18/1073172018.db2.gz RLJRWZCFCGUKAX-UHFFFAOYSA-N 1 2 440.551 -0.686 20 0 IBADLO Cc1cccn2c(=O)c(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cnc12 ZINC000539111943 1073174049 /nfs/dbraw/zinc/17/40/49/1073174049.db2.gz FAZVCHHQDFFTMI-UHFFFAOYSA-N 1 2 434.522 -0.747 20 0 IBADLO COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000539134618 1073175301 /nfs/dbraw/zinc/17/53/01/1073175301.db2.gz XQYHOWQDGBBTMS-UHFFFAOYSA-N 1 2 426.437 -0.224 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000539134802 1073175325 /nfs/dbraw/zinc/17/53/25/1073175325.db2.gz DVHKPUNMESUALO-UHFFFAOYSA-N 1 2 426.412 -0.111 20 0 IBADLO C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146597 1073174807 /nfs/dbraw/zinc/17/48/07/1073174807.db2.gz GYOFTTAZJOCJQA-HDICACEKSA-N 1 2 448.630 -0.026 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000539169820 1073178106 /nfs/dbraw/zinc/17/81/06/1073178106.db2.gz SICGKUACVZRRQG-GDBMZVCRSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000539169823 1073178082 /nfs/dbraw/zinc/17/80/82/1073178082.db2.gz SICGKUACVZRRQG-GOEBONIOSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000539169825 1073178141 /nfs/dbraw/zinc/17/81/41/1073178141.db2.gz SICGKUACVZRRQG-HOCLYGCPSA-N 1 2 444.488 -0.074 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000539169943 1073178191 /nfs/dbraw/zinc/17/81/91/1073178191.db2.gz SICGKUACVZRRQG-ZBFHGGJFSA-N 1 2 444.488 -0.074 20 0 IBADLO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539177539 1073179119 /nfs/dbraw/zinc/17/91/19/1073179119.db2.gz IKGSQALFLFGFHS-UHFFFAOYSA-N 1 2 426.477 -0.118 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)ccc2[nH+]1 ZINC000539179369 1073179709 /nfs/dbraw/zinc/17/97/09/1073179709.db2.gz XSZPLPUTAGVDJV-UHFFFAOYSA-N 1 2 426.433 -0.599 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc2[nH+]1 ZINC000539181685 1073179668 /nfs/dbraw/zinc/17/96/68/1073179668.db2.gz OEKNITIPAHUYRP-UHFFFAOYSA-N 1 2 436.494 -0.698 20 0 IBADLO Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000539239596 1073185756 /nfs/dbraw/zinc/18/57/56/1073185756.db2.gz IHRDGUXEHWJHLL-UHFFFAOYSA-N 1 2 441.602 -0.211 20 0 IBADLO CC(C)(C)[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000539286547 1073188093 /nfs/dbraw/zinc/18/80/93/1073188093.db2.gz LQEVRVBDDBQWED-OAHLLOKOSA-N 1 2 426.543 -0.267 20 0 IBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000539287417 1073188157 /nfs/dbraw/zinc/18/81/57/1073188157.db2.gz BAZVFBHZSDDTNS-UHFFFAOYSA-N 1 2 433.513 -0.354 20 0 IBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000539287417 1073188152 /nfs/dbraw/zinc/18/81/52/1073188152.db2.gz BAZVFBHZSDDTNS-UHFFFAOYSA-N 1 2 433.513 -0.354 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 ZINC000539388429 1073191787 /nfs/dbraw/zinc/19/17/87/1073191787.db2.gz UEMUQVFYOVKKIO-UHFFFAOYSA-N 1 2 439.460 -0.194 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000539432400 1072447330 /nfs/dbraw/zinc/44/73/30/1072447330.db2.gz ASMPBETUTUFYIN-IBGZPJMESA-N 1 2 446.552 -0.119 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000539432401 1072447377 /nfs/dbraw/zinc/44/73/77/1072447377.db2.gz ASMPBETUTUFYIN-LJQANCHMSA-N 1 2 446.552 -0.119 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)ccn2)CC1 ZINC000539464187 1072449077 /nfs/dbraw/zinc/44/90/77/1072449077.db2.gz OEAHOCXTWBYZSU-UHFFFAOYSA-N 1 2 429.502 -0.022 20 0 IBADLO CN1C(=O)c2ccc(S(=O)(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)cc2C1=O ZINC000539464945 1072449123 /nfs/dbraw/zinc/44/91/23/1072449123.db2.gz AWYJSQUECLIYKQ-UHFFFAOYSA-N 1 2 443.485 -0.082 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCS(=O)(=O)C(C)(C)C3)ccn2)CC1 ZINC000539480965 1072450341 /nfs/dbraw/zinc/45/03/41/1072450341.db2.gz PMHFZMBCYSGSFF-UHFFFAOYSA-N 1 2 437.522 -0.557 20 0 IBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539481793 1072450306 /nfs/dbraw/zinc/45/03/06/1072450306.db2.gz LVCPPWRRAPKVNO-INIZCTEOSA-N 1 2 430.509 -0.075 20 0 IBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539481813 1072450321 /nfs/dbraw/zinc/45/03/21/1072450321.db2.gz LVCPPWRRAPKVNO-MRXNPFEDSA-N 1 2 430.509 -0.075 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H](Cn4ccnn4)C3)ccn2)CC1 ZINC000539482254 1072450389 /nfs/dbraw/zinc/45/03/89/1072450389.db2.gz BNLXWOQBXYXJMG-INIZCTEOSA-N 1 2 440.508 -0.062 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H](Cn4ccnn4)C3)ccn2)CC1 ZINC000539482255 1072450424 /nfs/dbraw/zinc/45/04/24/1072450424.db2.gz BNLXWOQBXYXJMG-MRXNPFEDSA-N 1 2 440.508 -0.062 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)ccn2)CC1 ZINC000539483218 1072450372 /nfs/dbraw/zinc/45/03/72/1072450372.db2.gz PZACQEBQLPFNLN-UHFFFAOYSA-N 1 2 440.508 -0.525 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)ccn2)CC1 ZINC000539484044 1072449841 /nfs/dbraw/zinc/44/98/41/1072449841.db2.gz UJITUUAKODNTDE-UHFFFAOYSA-N 1 2 428.493 -0.512 20 0 IBADLO Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000539487523 1072450950 /nfs/dbraw/zinc/45/09/50/1072450950.db2.gz VKHPXWPLXRIGLA-UHFFFAOYSA-N 1 2 427.502 -0.291 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000539526150 1072454457 /nfs/dbraw/zinc/45/44/57/1072454457.db2.gz HLKNUNIFWKZFGH-UHFFFAOYSA-N 1 2 433.494 -0.682 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000539526150 1072454449 /nfs/dbraw/zinc/45/44/49/1072454449.db2.gz HLKNUNIFWKZFGH-UHFFFAOYSA-N 1 2 433.494 -0.682 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000539531139 1072456716 /nfs/dbraw/zinc/45/67/16/1072456716.db2.gz PCPNFQQSKOZGII-HNNXBMFYSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000539531139 1072456710 /nfs/dbraw/zinc/45/67/10/1072456710.db2.gz PCPNFQQSKOZGII-HNNXBMFYSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000539531143 1072456736 /nfs/dbraw/zinc/45/67/36/1072456736.db2.gz PCPNFQQSKOZGII-OAHLLOKOSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000539531143 1072456731 /nfs/dbraw/zinc/45/67/31/1072456731.db2.gz PCPNFQQSKOZGII-OAHLLOKOSA-N 1 2 447.521 -0.246 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000539586632 1072460426 /nfs/dbraw/zinc/46/04/26/1072460426.db2.gz MSFUWHNUJSSGTD-ZDUSSCGKSA-N 1 2 425.511 -0.343 20 0 IBADLO COCc1cccc(CNC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000539628927 1072463341 /nfs/dbraw/zinc/46/33/41/1072463341.db2.gz JBUHNNLSNRRULS-UHFFFAOYSA-N 1 2 432.477 -0.038 20 0 IBADLO COCc1ccccc1CNC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539629075 1072463437 /nfs/dbraw/zinc/46/34/37/1072463437.db2.gz QIPMYSYHZWCZAS-UHFFFAOYSA-N 1 2 432.477 -0.038 20 0 IBADLO COC(=O)C1(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CCCCC1 ZINC000539629571 1072463474 /nfs/dbraw/zinc/46/34/74/1072463474.db2.gz CDIHMHKOPDBHTM-UHFFFAOYSA-N 1 2 438.481 -0.508 20 0 IBADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539630352 1072463459 /nfs/dbraw/zinc/46/34/59/1072463459.db2.gz QWMJXOSTFDYLEL-GOSISDBHSA-N 1 2 444.488 -0.184 20 0 IBADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539630353 1072463919 /nfs/dbraw/zinc/46/39/19/1072463919.db2.gz QWMJXOSTFDYLEL-SFHVURJKSA-N 1 2 444.488 -0.184 20 0 IBADLO CS(=O)(=O)c1ccc(OCCN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000539630470 1072463289 /nfs/dbraw/zinc/46/32/89/1072463289.db2.gz UDDWIZHWVKOCTP-UHFFFAOYSA-N 1 2 439.490 -0.018 20 0 IBADLO CS(=O)(=O)c1cccc(OCCN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000539630533 1072463416 /nfs/dbraw/zinc/46/34/16/1072463416.db2.gz QFUMLTHJHXUIRO-UHFFFAOYSA-N 1 2 439.490 -0.018 20 0 IBADLO CCOC(=O)C1CCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CC1 ZINC000539631247 1072463954 /nfs/dbraw/zinc/46/39/54/1072463954.db2.gz BBCXRMPHXPMQPE-UHFFFAOYSA-N 1 2 438.481 -0.699 20 0 IBADLO COCc1ccc(CNC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000539632396 1072463355 /nfs/dbraw/zinc/46/33/55/1072463355.db2.gz VNPXKBWDGPTGPI-UHFFFAOYSA-N 1 2 432.477 -0.038 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cc2)CC1 ZINC000539642138 1072464354 /nfs/dbraw/zinc/46/43/54/1072464354.db2.gz MAPDPRBRTJIAGN-UHFFFAOYSA-N 1 2 429.477 -0.446 20 0 IBADLO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC000539643719 1072463940 /nfs/dbraw/zinc/46/39/40/1072463940.db2.gz SWPIQPVVVAAGRG-UHFFFAOYSA-N 1 2 446.504 -0.184 20 0 IBADLO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000539663311 1072465080 /nfs/dbraw/zinc/46/50/80/1072465080.db2.gz MBPQIVCSYQLQRD-GOSISDBHSA-N 1 2 432.477 -0.310 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000539663316 1072465180 /nfs/dbraw/zinc/46/51/80/1072465180.db2.gz MBPQIVCSYQLQRD-SFHVURJKSA-N 1 2 432.477 -0.310 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539665862 1072465152 /nfs/dbraw/zinc/46/51/52/1072465152.db2.gz ABAIXPIGXQTBOR-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000539702875 1072466656 /nfs/dbraw/zinc/46/66/56/1072466656.db2.gz URNAIFJKGXPWBT-KRWDZBQOSA-N 1 2 444.598 -0.267 20 0 IBADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000539702877 1072466806 /nfs/dbraw/zinc/46/68/06/1072466806.db2.gz URNAIFJKGXPWBT-QGZVFWFLSA-N 1 2 444.598 -0.267 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000539714188 1072466686 /nfs/dbraw/zinc/46/66/86/1072466686.db2.gz SQBHUCDOBQZMQD-HZPDHXFCSA-N 1 2 436.538 -0.547 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539727498 1072466753 /nfs/dbraw/zinc/46/67/53/1072466753.db2.gz ZASJYJSWESLTMK-UHFFFAOYSA-N 1 2 441.554 -0.269 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539727498 1072466750 /nfs/dbraw/zinc/46/67/50/1072466750.db2.gz ZASJYJSWESLTMK-UHFFFAOYSA-N 1 2 441.554 -0.269 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)CC1 ZINC000539728646 1072466860 /nfs/dbraw/zinc/46/68/60/1072466860.db2.gz QIFCZAQWPXWJAF-UHFFFAOYSA-N 1 2 430.531 -0.673 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC1 ZINC000539728646 1072466850 /nfs/dbraw/zinc/46/68/50/1072466850.db2.gz QIFCZAQWPXWJAF-UHFFFAOYSA-N 1 2 430.531 -0.673 20 0 IBADLO COC(=O)c1ccccc1N(C)C(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539758386 1072468080 /nfs/dbraw/zinc/46/80/80/1072468080.db2.gz JTASLCYCHVSHFQ-UHFFFAOYSA-N 1 2 446.460 -0.051 20 0 IBADLO O=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1)N1CCOCC1 ZINC000539775592 1072468579 /nfs/dbraw/zinc/46/85/79/1072468579.db2.gz AAFVBDBIQRXQHF-UHFFFAOYSA-N 1 2 447.517 -0.377 20 0 IBADLO CCOC(=O)C=c1sc(=Cc2cccc3[nH+]ccn32)c(=O)n1CC(=O)NCCOC ZINC000539855815 1072471168 /nfs/dbraw/zinc/47/11/68/1072471168.db2.gz USFHUVGTBOYAPU-UHFFFAOYSA-N 1 2 430.486 -0.508 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000539885144 1072472746 /nfs/dbraw/zinc/47/27/46/1072472746.db2.gz KNVHMNYHTPUBNB-UHFFFAOYSA-N 1 2 425.507 -0.481 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000539911300 1072474337 /nfs/dbraw/zinc/47/43/37/1072474337.db2.gz CRLNWOXBLAABCT-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000539911300 1072474332 /nfs/dbraw/zinc/47/43/32/1072474332.db2.gz CRLNWOXBLAABCT-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CC(C)(CNC(=O)CC(O)CC(=O)NCC(C)(C)[NH+]1CCOCC1)N1CCOCC1 ZINC000539934338 1072474841 /nfs/dbraw/zinc/47/48/41/1072474841.db2.gz HTGBWNXRBGITDH-UHFFFAOYSA-N 1 2 428.574 -0.419 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000540024824 1072478135 /nfs/dbraw/zinc/47/81/35/1072478135.db2.gz VNHLUGAAKVGKBU-AWEZNQCLSA-N 1 2 425.511 -0.295 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000540024826 1072478059 /nfs/dbraw/zinc/47/80/59/1072478059.db2.gz VNHLUGAAKVGKBU-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NCC)C3)[nH+]cc2C)C1 ZINC000540028142 1072478076 /nfs/dbraw/zinc/47/80/76/1072478076.db2.gz LXHBYMHFLFDEQU-CABCVRRESA-N 1 2 446.599 -0.179 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NCC)C3)c(C)c[nH+]2)C1 ZINC000540028144 1072478102 /nfs/dbraw/zinc/47/81/02/1072478102.db2.gz LXHBYMHFLFDEQU-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@@H](S(=O)(=O)NCC)C3)c(C)c[nH+]2)C1 ZINC000540028148 1072478700 /nfs/dbraw/zinc/47/87/00/1072478700.db2.gz LXHBYMHFLFDEQU-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NCC)C3)c(C)c[nH+]2)C1 ZINC000540028151 1072478017 /nfs/dbraw/zinc/47/80/17/1072478017.db2.gz LXHBYMHFLFDEQU-LSDHHAIUSA-N 1 2 446.599 -0.179 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052391 1072479192 /nfs/dbraw/zinc/47/91/92/1072479192.db2.gz BMTDEZVFEJVJNF-BBRMVZONSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052391 1072479187 /nfs/dbraw/zinc/47/91/87/1072479187.db2.gz BMTDEZVFEJVJNF-BBRMVZONSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052392 1072479537 /nfs/dbraw/zinc/47/95/37/1072479537.db2.gz BMTDEZVFEJVJNF-CJNGLKHVSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052392 1072479531 /nfs/dbraw/zinc/47/95/31/1072479531.db2.gz BMTDEZVFEJVJNF-CJNGLKHVSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052394 1072479221 /nfs/dbraw/zinc/47/92/21/1072479221.db2.gz BMTDEZVFEJVJNF-CZUORRHYSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052394 1072479217 /nfs/dbraw/zinc/47/92/17/1072479217.db2.gz BMTDEZVFEJVJNF-CZUORRHYSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052396 1072479247 /nfs/dbraw/zinc/47/92/47/1072479247.db2.gz BMTDEZVFEJVJNF-XJKSGUPXSA-N 1 2 432.568 -0.605 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000540052396 1072479242 /nfs/dbraw/zinc/47/92/42/1072479242.db2.gz BMTDEZVFEJVJNF-XJKSGUPXSA-N 1 2 432.568 -0.605 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000540060425 1072479397 /nfs/dbraw/zinc/47/93/97/1072479397.db2.gz CTTJAZVRHXMZAN-CYBMUJFWSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000540060425 1072479391 /nfs/dbraw/zinc/47/93/91/1072479391.db2.gz CTTJAZVRHXMZAN-CYBMUJFWSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000540060426 1072479517 /nfs/dbraw/zinc/47/95/17/1072479517.db2.gz CTTJAZVRHXMZAN-ZDUSSCGKSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000540060426 1072479512 /nfs/dbraw/zinc/47/95/12/1072479512.db2.gz CTTJAZVRHXMZAN-ZDUSSCGKSA-N 1 2 434.515 -0.979 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000540060427 1072479330 /nfs/dbraw/zinc/47/93/30/1072479330.db2.gz CULCESMSKUDGTO-INIZCTEOSA-N 1 2 430.552 -0.977 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000540060427 1072479327 /nfs/dbraw/zinc/47/93/27/1072479327.db2.gz CULCESMSKUDGTO-INIZCTEOSA-N 1 2 430.552 -0.977 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000540060428 1072479375 /nfs/dbraw/zinc/47/93/75/1072479375.db2.gz CULCESMSKUDGTO-MRXNPFEDSA-N 1 2 430.552 -0.977 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000540060428 1072479367 /nfs/dbraw/zinc/47/93/67/1072479367.db2.gz CULCESMSKUDGTO-MRXNPFEDSA-N 1 2 430.552 -0.977 20 0 IBADLO CCc1nn(C)c(OC)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000540071564 1072479977 /nfs/dbraw/zinc/47/99/77/1072479977.db2.gz LEBYHJKLEMBIGR-UHFFFAOYSA-N 1 2 443.574 -0.690 20 0 IBADLO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000540268443 1072487004 /nfs/dbraw/zinc/48/70/04/1072487004.db2.gz ALSCVRDGBFMUAO-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000540268443 1072487000 /nfs/dbraw/zinc/48/70/00/1072487000.db2.gz ALSCVRDGBFMUAO-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO CCc1nn(C)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540272644 1072486945 /nfs/dbraw/zinc/48/69/45/1072486945.db2.gz KQSIASLLOVFDGF-UHFFFAOYSA-N 1 2 449.537 -0.416 20 0 IBADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000540282123 1072486285 /nfs/dbraw/zinc/48/62/85/1072486285.db2.gz SUTKXQLQKJAMJV-UHFFFAOYSA-N 1 2 449.537 -0.782 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)c2)CC1 ZINC000540294155 1072489765 /nfs/dbraw/zinc/48/97/65/1072489765.db2.gz GDNWDEOBMMLIQU-UHFFFAOYSA-N 1 2 430.553 -0.219 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1NS(C)(=O)=O ZINC000540304699 1072490266 /nfs/dbraw/zinc/49/02/66/1072490266.db2.gz WPOQNAJEXPXMRL-UHFFFAOYSA-N 1 2 428.511 -0.080 20 0 IBADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC000540306594 1072490360 /nfs/dbraw/zinc/49/03/60/1072490360.db2.gz INOJSSVQPBKSKY-AWEZNQCLSA-N 1 2 428.511 -0.080 20 0 IBADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC000540306595 1072490308 /nfs/dbraw/zinc/49/03/08/1072490308.db2.gz INOJSSVQPBKSKY-CQSZACIVSA-N 1 2 428.511 -0.080 20 0 IBADLO CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000540330227 1072492683 /nfs/dbraw/zinc/49/26/83/1072492683.db2.gz FWXRZQDQHXPSJG-UHFFFAOYSA-N 1 2 432.510 -0.086 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000540385608 1072496066 /nfs/dbraw/zinc/49/60/66/1072496066.db2.gz QPZPJSKXILLDAX-DLBZAZTESA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)O1 ZINC000540385608 1072496055 /nfs/dbraw/zinc/49/60/55/1072496055.db2.gz QPZPJSKXILLDAX-DLBZAZTESA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000540385609 1072495973 /nfs/dbraw/zinc/49/59/73/1072495973.db2.gz QPZPJSKXILLDAX-IAGOWNOFSA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)O1 ZINC000540385609 1072495964 /nfs/dbraw/zinc/49/59/64/1072495964.db2.gz QPZPJSKXILLDAX-IAGOWNOFSA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000540385610 1072496099 /nfs/dbraw/zinc/49/60/99/1072496099.db2.gz QPZPJSKXILLDAX-IRXDYDNUSA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)O1 ZINC000540385610 1072496087 /nfs/dbraw/zinc/49/60/87/1072496087.db2.gz QPZPJSKXILLDAX-IRXDYDNUSA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000540385611 1072496154 /nfs/dbraw/zinc/49/61/54/1072496154.db2.gz QPZPJSKXILLDAX-SJORKVTESA-N 1 2 447.540 -0.219 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)O1 ZINC000540385611 1072496150 /nfs/dbraw/zinc/49/61/50/1072496150.db2.gz QPZPJSKXILLDAX-SJORKVTESA-N 1 2 447.540 -0.219 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCNC(=O)c3ccccc3)ccn2)CC1 ZINC000540538455 1072504328 /nfs/dbraw/zinc/50/43/28/1072504328.db2.gz SKXCKCOJIZTRGV-UHFFFAOYSA-N 1 2 438.488 -0.046 20 0 IBADLO CC(C)OCCN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000540575782 1072506500 /nfs/dbraw/zinc/50/65/00/1072506500.db2.gz PBTMSXFHKAOCLM-UHFFFAOYSA-N 1 2 446.552 -0.023 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCN3CCOCC3(C)C)ccn2)CC1 ZINC000540576064 1072506619 /nfs/dbraw/zinc/50/66/19/1072506619.db2.gz SNVSJTIIRQIUPE-UHFFFAOYSA-N 1 2 432.525 -0.365 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)ccn2)CC1 ZINC000540576199 1072506328 /nfs/dbraw/zinc/50/63/28/1072506328.db2.gz XNYVXUIUQYRUKJ-HNNXBMFYSA-N 1 2 430.509 -0.077 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)ccn2)CC1 ZINC000540576200 1072506531 /nfs/dbraw/zinc/50/65/31/1072506531.db2.gz XNYVXUIUQYRUKJ-OAHLLOKOSA-N 1 2 430.509 -0.077 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN(c4cccnn4)CC3)ccn2)CC1 ZINC000540577530 1072506743 /nfs/dbraw/zinc/50/67/43/1072506743.db2.gz GFGAQRBRFKZSQK-UHFFFAOYSA-N 1 2 438.492 -0.454 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)CC2)cn1 ZINC000540578166 1072506435 /nfs/dbraw/zinc/50/64/35/1072506435.db2.gz IBQGDVWZNFUGPA-UHFFFAOYSA-N 1 2 440.508 -0.510 20 0 IBADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000540580164 1072506691 /nfs/dbraw/zinc/50/66/91/1072506691.db2.gz ZCQFNGWOEYIKCN-FRFSOERESA-N 1 2 428.493 -0.467 20 0 IBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000540580165 1072506780 /nfs/dbraw/zinc/50/67/80/1072506780.db2.gz ZCQFNGWOEYIKCN-KMFMINBZSA-N 1 2 428.493 -0.467 20 0 IBADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000540580166 1072506674 /nfs/dbraw/zinc/50/66/74/1072506674.db2.gz ZCQFNGWOEYIKCN-UKPHBRMFSA-N 1 2 428.493 -0.467 20 0 IBADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000540580167 1072506273 /nfs/dbraw/zinc/50/62/73/1072506273.db2.gz ZCQFNGWOEYIKCN-UNEWFSDZSA-N 1 2 428.493 -0.467 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1N1CCOCC1 ZINC000540581770 1072507062 /nfs/dbraw/zinc/50/70/62/1072507062.db2.gz KUVCOXODVMSDLF-APWZRJJASA-N 1 2 444.536 -0.413 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1N1CCOCC1 ZINC000540581775 1072507298 /nfs/dbraw/zinc/50/72/98/1072507298.db2.gz KUVCOXODVMSDLF-LPHOPBHVSA-N 1 2 444.536 -0.413 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1N1CCOCC1 ZINC000540581777 1072507197 /nfs/dbraw/zinc/50/71/97/1072507197.db2.gz KUVCOXODVMSDLF-QFBILLFUSA-N 1 2 444.536 -0.413 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1N1CCOCC1 ZINC000540581778 1072507267 /nfs/dbraw/zinc/50/72/67/1072507267.db2.gz KUVCOXODVMSDLF-VQIMIIECSA-N 1 2 444.536 -0.413 20 0 IBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000540583132 1072507249 /nfs/dbraw/zinc/50/72/49/1072507249.db2.gz DVNZVSMHTJGAAY-UHFFFAOYSA-N 1 2 430.509 -0.266 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@H](O)COc3ccccc3)ccn2)CC1 ZINC000540586888 1072508563 /nfs/dbraw/zinc/50/85/63/1072508563.db2.gz ZDTSYMPHSWSHDM-KRWDZBQOSA-N 1 2 441.488 -0.036 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@@H](O)COc3ccccc3)ccn2)CC1 ZINC000540586895 1072508646 /nfs/dbraw/zinc/50/86/46/1072508646.db2.gz ZDTSYMPHSWSHDM-QGZVFWFLSA-N 1 2 441.488 -0.036 20 0 IBADLO Cn1c2c(ccn2CC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c(=O)n(C)c1=O ZINC000540625096 1072510014 /nfs/dbraw/zinc/51/00/14/1072510014.db2.gz OZUIOICQCUEZRZ-UHFFFAOYSA-N 1 2 439.476 -0.540 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000540629006 1072510469 /nfs/dbraw/zinc/51/04/69/1072510469.db2.gz QTWZIXGTLIWFBC-AWEZNQCLSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000540629006 1072510463 /nfs/dbraw/zinc/51/04/63/1072510463.db2.gz QTWZIXGTLIWFBC-AWEZNQCLSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000540629007 1072510367 /nfs/dbraw/zinc/51/03/67/1072510367.db2.gz QTWZIXGTLIWFBC-CQSZACIVSA-N 1 2 447.521 -0.246 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000540629007 1072510359 /nfs/dbraw/zinc/51/03/59/1072510359.db2.gz QTWZIXGTLIWFBC-CQSZACIVSA-N 1 2 447.521 -0.246 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCN1S(C)(=O)=O ZINC000540685789 1072512945 /nfs/dbraw/zinc/51/29/45/1072512945.db2.gz ZNNUGUABIPEFSH-INIZCTEOSA-N 1 2 437.566 -0.135 20 0 IBADLO COc1ccc(CNC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1OC ZINC000540729693 1072514316 /nfs/dbraw/zinc/51/43/16/1072514316.db2.gz WWSSPMXHULMTOG-UHFFFAOYSA-N 1 2 448.476 -0.167 20 0 IBADLO CNC(=O)[C@@H](NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000540730324 1072514546 /nfs/dbraw/zinc/51/45/46/1072514546.db2.gz GCTRKZSPGNEEGC-KRWDZBQOSA-N 1 2 445.476 -0.897 20 0 IBADLO CNC(=O)[C@H](NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000540730327 1072514268 /nfs/dbraw/zinc/51/42/68/1072514268.db2.gz GCTRKZSPGNEEGC-QGZVFWFLSA-N 1 2 445.476 -0.897 20 0 IBADLO CC1(C)CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000540737573 1072514109 /nfs/dbraw/zinc/51/41/09/1072514109.db2.gz KHMTYZSWSNSTDU-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO CC1(C)CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCO1 ZINC000540737573 1072514105 /nfs/dbraw/zinc/51/41/05/1072514105.db2.gz KHMTYZSWSNSTDU-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCN3C(=O)CCC3=O)cc2)CC1 ZINC000540741172 1072515057 /nfs/dbraw/zinc/51/50/57/1072515057.db2.gz FEYGFMHSGJGLNV-UHFFFAOYSA-N 1 2 443.504 -0.056 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cc2)CC1 ZINC000540744497 1072514817 /nfs/dbraw/zinc/51/48/17/1072514817.db2.gz RARBMQUADWDIRI-UHFFFAOYSA-N 1 2 431.493 -0.736 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000540744504 1072514987 /nfs/dbraw/zinc/51/49/87/1072514987.db2.gz ROIWRJWSPYAKMO-GOSISDBHSA-N 1 2 428.493 -0.475 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000540744505 1072514867 /nfs/dbraw/zinc/51/48/67/1072514867.db2.gz ROIWRJWSPYAKMO-SFHVURJKSA-N 1 2 428.493 -0.475 20 0 IBADLO NS(=O)(=O)c1ccc(O)c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000540805773 1072516261 /nfs/dbraw/zinc/51/62/61/1072516261.db2.gz UECJBDUNAARGNS-INIZCTEOSA-N 1 2 426.495 -0.309 20 0 IBADLO NS(=O)(=O)c1ccc(O)c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000540805774 1072516304 /nfs/dbraw/zinc/51/63/04/1072516304.db2.gz UECJBDUNAARGNS-MRXNPFEDSA-N 1 2 426.495 -0.309 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540826041 1072517253 /nfs/dbraw/zinc/51/72/53/1072517253.db2.gz LGTCQVONAXAQQP-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540826041 1072517240 /nfs/dbraw/zinc/51/72/40/1072517240.db2.gz LGTCQVONAXAQQP-UHFFFAOYSA-N 1 2 429.518 -0.138 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000540826528 1072517296 /nfs/dbraw/zinc/51/72/96/1072517296.db2.gz LDPURIBSYGJWIQ-GOSISDBHSA-N 1 2 433.509 -0.300 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000540826528 1072517290 /nfs/dbraw/zinc/51/72/90/1072517290.db2.gz LDPURIBSYGJWIQ-GOSISDBHSA-N 1 2 433.509 -0.300 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000540826531 1072517154 /nfs/dbraw/zinc/51/71/54/1072517154.db2.gz LDPURIBSYGJWIQ-SFHVURJKSA-N 1 2 433.509 -0.300 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000540826531 1072517146 /nfs/dbraw/zinc/51/71/46/1072517146.db2.gz LDPURIBSYGJWIQ-SFHVURJKSA-N 1 2 433.509 -0.300 20 0 IBADLO C[C@H]1CN(c2cc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)[nH+]cn2)CCN1S(C)(=O)=O ZINC000540845054 1072517731 /nfs/dbraw/zinc/51/77/31/1072517731.db2.gz QNXNLKOIMNWPSG-KBPBESRZSA-N 1 2 432.572 -0.583 20 0 IBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1nnnc1C(C)(C)C ZINC000540848518 1072517880 /nfs/dbraw/zinc/51/78/80/1072517880.db2.gz VQIXVJKHRZJQRE-AWEZNQCLSA-N 1 2 428.563 -0.832 20 0 IBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1nnnc1C(C)(C)C ZINC000540848519 1072517832 /nfs/dbraw/zinc/51/78/32/1072517832.db2.gz VQIXVJKHRZJQRE-CQSZACIVSA-N 1 2 428.563 -0.832 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000541015836 1072525759 /nfs/dbraw/zinc/52/57/59/1072525759.db2.gz ZBQKAZZYZAQCTJ-UHFFFAOYSA-N 1 2 433.556 -0.721 20 0 IBADLO C[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)S(N)(=O)=O ZINC000541016775 1072525732 /nfs/dbraw/zinc/52/57/32/1072525732.db2.gz JAYHSKWAAVAFJG-CYBMUJFWSA-N 1 2 431.946 -0.629 20 0 IBADLO C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)S(N)(=O)=O ZINC000541016776 1072525612 /nfs/dbraw/zinc/52/56/12/1072525612.db2.gz JAYHSKWAAVAFJG-ZDUSSCGKSA-N 1 2 431.946 -0.629 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000541018356 1072526237 /nfs/dbraw/zinc/52/62/37/1072526237.db2.gz MQUFUPRZDAKBED-BYCMXARLSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000541018356 1072526230 /nfs/dbraw/zinc/52/62/30/1072526230.db2.gz MQUFUPRZDAKBED-BYCMXARLSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000541018358 1072526354 /nfs/dbraw/zinc/52/63/54/1072526354.db2.gz MQUFUPRZDAKBED-DFBGVHRSSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000541018358 1072526348 /nfs/dbraw/zinc/52/63/48/1072526348.db2.gz MQUFUPRZDAKBED-DFBGVHRSSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000541018362 1072526096 /nfs/dbraw/zinc/52/60/96/1072526096.db2.gz MQUFUPRZDAKBED-KCPJHIHWSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000541018362 1072526086 /nfs/dbraw/zinc/52/60/86/1072526086.db2.gz MQUFUPRZDAKBED-KCPJHIHWSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000541018363 1072526279 /nfs/dbraw/zinc/52/62/79/1072526279.db2.gz MQUFUPRZDAKBED-UGFHNGPFSA-N 1 2 432.930 -0.379 20 0 IBADLO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000541018363 1072526274 /nfs/dbraw/zinc/52/62/74/1072526274.db2.gz MQUFUPRZDAKBED-UGFHNGPFSA-N 1 2 432.930 -0.379 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541023620 1072524788 /nfs/dbraw/zinc/52/47/88/1072524788.db2.gz DJQZTDXRKFPAEW-GOSISDBHSA-N 1 2 443.614 -0.455 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541023620 1072524777 /nfs/dbraw/zinc/52/47/77/1072524777.db2.gz DJQZTDXRKFPAEW-GOSISDBHSA-N 1 2 443.614 -0.455 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541023621 1072524937 /nfs/dbraw/zinc/52/49/37/1072524937.db2.gz DJQZTDXRKFPAEW-SFHVURJKSA-N 1 2 443.614 -0.455 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000541023621 1072524923 /nfs/dbraw/zinc/52/49/23/1072524923.db2.gz DJQZTDXRKFPAEW-SFHVURJKSA-N 1 2 443.614 -0.455 20 0 IBADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000541029222 1072528661 /nfs/dbraw/zinc/52/86/61/1072528661.db2.gz JJDPUMBSPGSJRG-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000541029222 1072528652 /nfs/dbraw/zinc/52/86/52/1072528652.db2.gz JJDPUMBSPGSJRG-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000541039728 1072527710 /nfs/dbraw/zinc/52/77/10/1072527710.db2.gz UMWJEXNQRHICBP-GOSISDBHSA-N 1 2 431.493 -0.737 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCO1 ZINC000541039729 1072527484 /nfs/dbraw/zinc/52/74/84/1072527484.db2.gz UMWJEXNQRHICBP-SFHVURJKSA-N 1 2 431.493 -0.737 20 0 IBADLO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000541155403 1074365741 /nfs/dbraw/zinc/36/57/41/1074365741.db2.gz OBLJVZQXAQCJTD-UHFFFAOYSA-N 1 2 428.497 -0.757 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000541187733 1072534812 /nfs/dbraw/zinc/53/48/12/1072534812.db2.gz AOGGIUUQVINPLV-KRWDZBQOSA-N 1 2 441.540 -0.178 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000541187736 1072534896 /nfs/dbraw/zinc/53/48/96/1072534896.db2.gz AOGGIUUQVINPLV-QGZVFWFLSA-N 1 2 441.540 -0.178 20 0 IBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000541368152 1074365677 /nfs/dbraw/zinc/36/56/77/1074365677.db2.gz RKFMUQQSTIAXIG-UHFFFAOYSA-N 1 2 441.452 -0.439 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CS(=O)(=O)N(C)C)cc2)CC1 ZINC000541433187 1072540249 /nfs/dbraw/zinc/54/02/49/1072540249.db2.gz AMWUXQAFAUOBSF-UHFFFAOYSA-N 1 2 440.566 -0.220 20 0 IBADLO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000541511031 1072541546 /nfs/dbraw/zinc/54/15/46/1072541546.db2.gz FHKHNQDGNRXTIR-HKUYNNGSSA-N 1 2 429.521 -0.131 20 0 IBADLO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000541511036 1072541501 /nfs/dbraw/zinc/54/15/01/1072541501.db2.gz FHKHNQDGNRXTIR-IEBWSBKVSA-N 1 2 429.521 -0.131 20 0 IBADLO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000541511039 1072541558 /nfs/dbraw/zinc/54/15/58/1072541558.db2.gz FHKHNQDGNRXTIR-MJGOQNOKSA-N 1 2 429.521 -0.131 20 0 IBADLO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000541511041 1072541453 /nfs/dbraw/zinc/54/14/53/1072541453.db2.gz FHKHNQDGNRXTIR-PKOBYXMFSA-N 1 2 429.521 -0.131 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000541580264 1072542944 /nfs/dbraw/zinc/54/29/44/1072542944.db2.gz AGGODDBIIPNNQR-KRWDZBQOSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000541580264 1072542935 /nfs/dbraw/zinc/54/29/35/1072542935.db2.gz AGGODDBIIPNNQR-KRWDZBQOSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000541580265 1072542987 /nfs/dbraw/zinc/54/29/87/1072542987.db2.gz AGGODDBIIPNNQR-QGZVFWFLSA-N 1 2 444.579 -0.587 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000541580265 1072542977 /nfs/dbraw/zinc/54/29/77/1072542977.db2.gz AGGODDBIIPNNQR-QGZVFWFLSA-N 1 2 444.579 -0.587 20 0 IBADLO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1nnnn1-c1ccccc1 ZINC000541639384 1072544882 /nfs/dbraw/zinc/54/48/82/1072544882.db2.gz JYVIYRAPHILAIU-KRWDZBQOSA-N 1 2 442.524 -0.684 20 0 IBADLO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1nnnn1-c1ccccc1 ZINC000541639385 1072544783 /nfs/dbraw/zinc/54/47/83/1072544783.db2.gz JYVIYRAPHILAIU-QGZVFWFLSA-N 1 2 442.524 -0.684 20 0 IBADLO CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000541669241 1072547838 /nfs/dbraw/zinc/54/78/38/1072547838.db2.gz GRSKLGBYLRQFGH-UHFFFAOYSA-N 1 2 426.539 -0.021 20 0 IBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000541669766 1072546196 /nfs/dbraw/zinc/54/61/96/1072546196.db2.gz KAKQWVFREIBPDW-UHFFFAOYSA-N 1 2 428.511 -0.589 20 0 IBADLO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1F ZINC000541670336 1072546327 /nfs/dbraw/zinc/54/63/27/1072546327.db2.gz PIJIRXNPMUANPF-UHFFFAOYSA-N 1 2 430.502 -0.023 20 0 IBADLO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000541670346 1072546252 /nfs/dbraw/zinc/54/62/52/1072546252.db2.gz PKMQHCDXGURIAF-UHFFFAOYSA-N 1 2 439.900 -0.767 20 0 IBADLO CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000541671106 1072546426 /nfs/dbraw/zinc/54/64/26/1072546426.db2.gz HWCSMBFWRUHATO-UHFFFAOYSA-N 1 2 442.538 -0.201 20 0 IBADLO CCOC(=O)c1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(OC)c(OC)c1OC ZINC000541672319 1072546791 /nfs/dbraw/zinc/54/67/91/1072546791.db2.gz JIUYKNLFYHRMFC-UHFFFAOYSA-N 1 2 439.465 -0.036 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000541694504 1072548488 /nfs/dbraw/zinc/54/84/88/1072548488.db2.gz ANIJUWNSIWDKJL-HNNXBMFYSA-N 1 2 444.504 -0.186 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000541694504 1072548480 /nfs/dbraw/zinc/54/84/80/1072548480.db2.gz ANIJUWNSIWDKJL-HNNXBMFYSA-N 1 2 444.504 -0.186 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000541694505 1072548537 /nfs/dbraw/zinc/54/85/37/1072548537.db2.gz ANIJUWNSIWDKJL-OAHLLOKOSA-N 1 2 444.504 -0.186 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000541694505 1072548530 /nfs/dbraw/zinc/54/85/30/1072548530.db2.gz ANIJUWNSIWDKJL-OAHLLOKOSA-N 1 2 444.504 -0.186 20 0 IBADLO CCOC(=O)[C@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CCOCC1 ZINC000541698951 1072550207 /nfs/dbraw/zinc/55/02/07/1072550207.db2.gz ZDFFMGIKKKBQKS-GOSISDBHSA-N 1 2 445.524 -0.040 20 0 IBADLO CCOC(=O)[C@@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CCOCC1 ZINC000541698952 1072550051 /nfs/dbraw/zinc/55/00/51/1072550051.db2.gz ZDFFMGIKKKBQKS-SFHVURJKSA-N 1 2 445.524 -0.040 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000541699545 1072548928 /nfs/dbraw/zinc/54/89/28/1072548928.db2.gz VWGKWJJTEGVXIZ-INIZCTEOSA-N 1 2 427.527 -0.859 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000541699545 1072548918 /nfs/dbraw/zinc/54/89/18/1072548918.db2.gz VWGKWJJTEGVXIZ-INIZCTEOSA-N 1 2 427.527 -0.859 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000541699546 1072548900 /nfs/dbraw/zinc/54/89/00/1072548900.db2.gz VWGKWJJTEGVXIZ-MRXNPFEDSA-N 1 2 427.527 -0.859 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000541699546 1072548889 /nfs/dbraw/zinc/54/88/89/1072548889.db2.gz VWGKWJJTEGVXIZ-MRXNPFEDSA-N 1 2 427.527 -0.859 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn(C)c1=O ZINC000541958343 1072559306 /nfs/dbraw/zinc/55/93/06/1072559306.db2.gz XVUGNYSYZWWPNT-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn(C)c1=O ZINC000541958343 1072559298 /nfs/dbraw/zinc/55/92/98/1072559298.db2.gz XVUGNYSYZWWPNT-UHFFFAOYSA-N 1 2 441.492 -0.392 20 0 IBADLO Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn(C)c1=O ZINC000541959655 1072559118 /nfs/dbraw/zinc/55/91/18/1072559118.db2.gz HAXKNNNFMKBBHA-UHFFFAOYSA-N 1 2 426.477 -0.118 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000542074689 1072563189 /nfs/dbraw/zinc/56/31/89/1072563189.db2.gz CEJUQWPFMCIZDC-UHFFFAOYSA-N 1 2 435.529 -0.200 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(N2CCOCC2)CCC1 ZINC000542077306 1072564472 /nfs/dbraw/zinc/56/44/72/1072564472.db2.gz BATDHRPLZSJCQX-UHFFFAOYSA-N 1 2 437.566 -0.096 20 0 IBADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000542084176 1073321174 /nfs/dbraw/zinc/32/11/74/1073321174.db2.gz VEUXLKOVEQAXJV-UHFFFAOYSA-N 1 2 443.512 -0.125 20 0 IBADLO COc1c(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cccc1C(N)=O ZINC000542085204 1072564427 /nfs/dbraw/zinc/56/44/27/1072564427.db2.gz XDTIAVRTHXMBIN-UHFFFAOYSA-N 1 2 438.448 -0.242 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000542175513 1072568678 /nfs/dbraw/zinc/56/86/78/1072568678.db2.gz ZVIOJLHZJOXRSK-DLBZAZTESA-N 1 2 432.525 -0.792 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000542175514 1072568628 /nfs/dbraw/zinc/56/86/28/1072568628.db2.gz ZVIOJLHZJOXRSK-IAGOWNOFSA-N 1 2 432.525 -0.792 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000542175515 1072568605 /nfs/dbraw/zinc/56/86/05/1072568605.db2.gz ZVIOJLHZJOXRSK-IRXDYDNUSA-N 1 2 432.525 -0.792 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000542175516 1072568728 /nfs/dbraw/zinc/56/87/28/1072568728.db2.gz ZVIOJLHZJOXRSK-SJORKVTESA-N 1 2 432.525 -0.792 20 0 IBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000542298106 1072573553 /nfs/dbraw/zinc/57/35/53/1072573553.db2.gz FZGMBURWCSLMAD-UHFFFAOYSA-N 1 2 434.497 -0.308 20 0 IBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000542298106 1072573548 /nfs/dbraw/zinc/57/35/48/1072573548.db2.gz FZGMBURWCSLMAD-UHFFFAOYSA-N 1 2 434.497 -0.308 20 0 IBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000542298298 1072574185 /nfs/dbraw/zinc/57/41/85/1072574185.db2.gz JLJYMXWNNUTTME-UHFFFAOYSA-N 1 2 436.513 -0.062 20 0 IBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000542298298 1072574179 /nfs/dbraw/zinc/57/41/79/1072574179.db2.gz JLJYMXWNNUTTME-UHFFFAOYSA-N 1 2 436.513 -0.062 20 0 IBADLO COC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000542307796 1072574694 /nfs/dbraw/zinc/57/46/94/1072574694.db2.gz OLNIOGZZNSCPQU-UHFFFAOYSA-N 1 2 445.586 -0.071 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000542324852 1072575134 /nfs/dbraw/zinc/57/51/34/1072575134.db2.gz JPPNUMXTEZFAJL-GOSISDBHSA-N 1 2 441.492 -0.139 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000542324854 1072575250 /nfs/dbraw/zinc/57/52/50/1072575250.db2.gz JPPNUMXTEZFAJL-SFHVURJKSA-N 1 2 441.492 -0.139 20 0 IBADLO COc1c2cnn(C)c2ncc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000542328064 1072575157 /nfs/dbraw/zinc/57/51/57/1072575157.db2.gz DJSHEYOMPBDVTC-UHFFFAOYSA-N 1 2 437.526 -0.773 20 0 IBADLO CCOC(=O)c1ccc(N2CC(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC000542367641 1072576397 /nfs/dbraw/zinc/57/63/97/1072576397.db2.gz GXAYJCILCFZPGJ-KRWDZBQOSA-N 1 2 445.520 -0.256 20 0 IBADLO CCOC(=O)c1ccc(N2CC(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC000542367648 1072576209 /nfs/dbraw/zinc/57/62/09/1072576209.db2.gz GXAYJCILCFZPGJ-QGZVFWFLSA-N 1 2 445.520 -0.256 20 0 IBADLO COCCOC1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000542420353 1072579624 /nfs/dbraw/zinc/57/96/24/1072579624.db2.gz BXKYOFCOVDEIQU-UHFFFAOYSA-N 1 2 427.527 -0.410 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000542510634 1072647465 /nfs/dbraw/zinc/64/74/65/1072647465.db2.gz FFYRIEGTEAPHHD-AWEZNQCLSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000542510634 1072647456 /nfs/dbraw/zinc/64/74/56/1072647456.db2.gz FFYRIEGTEAPHHD-AWEZNQCLSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000542510647 1072647393 /nfs/dbraw/zinc/64/73/93/1072647393.db2.gz FFYRIEGTEAPHHD-CQSZACIVSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000542510647 1072647386 /nfs/dbraw/zinc/64/73/86/1072647386.db2.gz FFYRIEGTEAPHHD-CQSZACIVSA-N 1 2 448.542 -0.589 20 0 IBADLO CCOC(=O)[C@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCOC1 ZINC000542560092 1072685206 /nfs/dbraw/zinc/68/52/06/1072685206.db2.gz VUUAQMJPKJTKPR-CRAIPNDOSA-N 1 2 445.524 -0.040 20 0 IBADLO CCOC(=O)[C@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCOC1 ZINC000542560093 1072685031 /nfs/dbraw/zinc/68/50/31/1072685031.db2.gz VUUAQMJPKJTKPR-MAUKXSAKSA-N 1 2 445.524 -0.040 20 0 IBADLO CCOC(=O)[C@@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCOC1 ZINC000542560094 1072685215 /nfs/dbraw/zinc/68/52/15/1072685215.db2.gz VUUAQMJPKJTKPR-QAPCUYQASA-N 1 2 445.524 -0.040 20 0 IBADLO CCOC(=O)[C@@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCOC1 ZINC000542560095 1072685016 /nfs/dbraw/zinc/68/50/16/1072685016.db2.gz VUUAQMJPKJTKPR-YJBOKZPZSA-N 1 2 445.524 -0.040 20 0 IBADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(CCO)CC1 ZINC000542596431 1072742468 /nfs/dbraw/zinc/74/24/68/1072742468.db2.gz DDESGUYBWRMWQH-UHFFFAOYSA-N 1 2 433.509 -0.842 20 0 IBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000542597846 1072743093 /nfs/dbraw/zinc/74/30/93/1072743093.db2.gz JKUQOPHUXQARSB-CYBMUJFWSA-N 1 2 438.456 -0.418 20 0 IBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000542597847 1072742953 /nfs/dbraw/zinc/74/29/53/1072742953.db2.gz JKUQOPHUXQARSB-ZDUSSCGKSA-N 1 2 438.456 -0.418 20 0 IBADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000542599061 1072745755 /nfs/dbraw/zinc/74/57/55/1072745755.db2.gz UJKQCDPWPUTTOJ-GOSISDBHSA-N 1 2 446.504 -0.071 20 0 IBADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000542599062 1072745851 /nfs/dbraw/zinc/74/58/51/1072745851.db2.gz UJKQCDPWPUTTOJ-SFHVURJKSA-N 1 2 446.504 -0.071 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599244 1072744541 /nfs/dbraw/zinc/74/45/41/1072744541.db2.gz CTAKBGWRNPPZFI-UHFFFAOYSA-N 1 2 440.522 -0.909 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1)N1CCOCC1 ZINC000542599963 1072746362 /nfs/dbraw/zinc/74/63/62/1072746362.db2.gz HCUYHGSPWPAMPE-UHFFFAOYSA-N 1 2 426.477 -0.186 20 0 IBADLO O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600145 1072746389 /nfs/dbraw/zinc/74/63/89/1072746389.db2.gz HRIXQODZOALVDE-UHFFFAOYSA-N 1 2 447.536 -0.565 20 0 IBADLO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600471 1072746302 /nfs/dbraw/zinc/74/63/02/1072746302.db2.gz ITVJNNMRVNJNLP-UHFFFAOYSA-N 1 2 442.538 -0.153 20 0 IBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000542600897 1072746718 /nfs/dbraw/zinc/74/67/18/1072746718.db2.gz IFCKFTGKKZFMJN-AWEZNQCLSA-N 1 2 428.511 -0.925 20 0 IBADLO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000542600908 1072747473 /nfs/dbraw/zinc/74/74/73/1072747473.db2.gz IFCKFTGKKZFMJN-CQSZACIVSA-N 1 2 428.511 -0.925 20 0 IBADLO O=C(C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000542601186 1072746860 /nfs/dbraw/zinc/74/68/60/1072746860.db2.gz NKWWOCCIOAHADO-IBGZPJMESA-N 1 2 430.505 -0.070 20 0 IBADLO O=C(C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000542601188 1072747008 /nfs/dbraw/zinc/74/70/08/1072747008.db2.gz NKWWOCCIOAHADO-LJQANCHMSA-N 1 2 430.505 -0.070 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000542624107 1073018627 /nfs/dbraw/zinc/01/86/27/1073018627.db2.gz BXTBDEUHTJLSLX-INIZCTEOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000542624107 1073018619 /nfs/dbraw/zinc/01/86/19/1073018619.db2.gz BXTBDEUHTJLSLX-INIZCTEOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000542624108 1073018947 /nfs/dbraw/zinc/01/89/47/1073018947.db2.gz BXTBDEUHTJLSLX-MRXNPFEDSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000542624108 1073018941 /nfs/dbraw/zinc/01/89/41/1073018941.db2.gz BXTBDEUHTJLSLX-MRXNPFEDSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542624543 1073018114 /nfs/dbraw/zinc/01/81/14/1073018114.db2.gz NPRXQJDAYGKMBH-GOSISDBHSA-N 1 2 438.550 -0.660 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542624543 1073018108 /nfs/dbraw/zinc/01/81/08/1073018108.db2.gz NPRXQJDAYGKMBH-GOSISDBHSA-N 1 2 438.550 -0.660 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542624544 1073018283 /nfs/dbraw/zinc/01/82/83/1073018283.db2.gz NPRXQJDAYGKMBH-SFHVURJKSA-N 1 2 438.550 -0.660 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000542624544 1073018276 /nfs/dbraw/zinc/01/82/76/1073018276.db2.gz NPRXQJDAYGKMBH-SFHVURJKSA-N 1 2 438.550 -0.660 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000542634090 1073040445 /nfs/dbraw/zinc/04/04/45/1073040445.db2.gz XVJKXRXDXDQVKL-KRWDZBQOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000542634090 1073040438 /nfs/dbraw/zinc/04/04/38/1073040438.db2.gz XVJKXRXDXDQVKL-KRWDZBQOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000542634093 1073040232 /nfs/dbraw/zinc/04/02/32/1073040232.db2.gz XVJKXRXDXDQVKL-QGZVFWFLSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000542634093 1073040223 /nfs/dbraw/zinc/04/02/23/1073040223.db2.gz XVJKXRXDXDQVKL-QGZVFWFLSA-N 1 2 426.514 -0.325 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)CC2)c1=O ZINC000542687015 1073134750 /nfs/dbraw/zinc/13/47/50/1073134750.db2.gz XPKVRUJZPQGDLZ-UHFFFAOYSA-N 1 2 440.508 -0.083 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000542714275 1073137751 /nfs/dbraw/zinc/13/77/51/1073137751.db2.gz YMHXVGKXYSWFQB-KRWDZBQOSA-N 1 2 438.554 -0.741 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000542714278 1073137820 /nfs/dbraw/zinc/13/78/20/1073137820.db2.gz YMHXVGKXYSWFQB-QGZVFWFLSA-N 1 2 438.554 -0.741 20 0 IBADLO CCN(Cc1cn(C)nn1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542852286 1073148206 /nfs/dbraw/zinc/14/82/06/1073148206.db2.gz XUDSTFYCPHWPEK-UHFFFAOYSA-N 1 2 436.542 -0.106 20 0 IBADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542890063 1073154609 /nfs/dbraw/zinc/15/46/09/1073154609.db2.gz XPIXLFXJZCFVBB-UHFFFAOYSA-N 1 2 426.477 -0.118 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000542896905 1073155202 /nfs/dbraw/zinc/15/52/02/1073155202.db2.gz ZUZLJVCSTCDFHA-CVEARBPZSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000542896905 1073155201 /nfs/dbraw/zinc/15/52/01/1073155201.db2.gz ZUZLJVCSTCDFHA-CVEARBPZSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000542896906 1073155168 /nfs/dbraw/zinc/15/51/68/1073155168.db2.gz ZUZLJVCSTCDFHA-HOTGVXAUSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000542896906 1073155166 /nfs/dbraw/zinc/15/51/66/1073155166.db2.gz ZUZLJVCSTCDFHA-HOTGVXAUSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000542896907 1073155181 /nfs/dbraw/zinc/15/51/81/1073155181.db2.gz ZUZLJVCSTCDFHA-HZPDHXFCSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000542896907 1073155180 /nfs/dbraw/zinc/15/51/80/1073155180.db2.gz ZUZLJVCSTCDFHA-HZPDHXFCSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000542896908 1073155140 /nfs/dbraw/zinc/15/51/40/1073155140.db2.gz ZUZLJVCSTCDFHA-JKSUJKDBSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000542896908 1073155138 /nfs/dbraw/zinc/15/51/38/1073155138.db2.gz ZUZLJVCSTCDFHA-JKSUJKDBSA-N 1 2 433.513 -0.562 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000543005731 1074369924 /nfs/dbraw/zinc/36/99/24/1074369924.db2.gz VUWIRFIEWGSQSX-UHFFFAOYSA-N 1 2 448.915 -0.446 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000543010547 1074369813 /nfs/dbraw/zinc/36/98/13/1074369813.db2.gz BYTKWCUEIIGVKJ-UHFFFAOYSA-N 1 2 429.485 -0.467 20 0 IBADLO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000543010606 1074369790 /nfs/dbraw/zinc/36/97/90/1074369790.db2.gz GCRGCSZCPTVVSL-UHFFFAOYSA-N 1 2 446.487 -0.618 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000543034105 1073192076 /nfs/dbraw/zinc/19/20/76/1073192076.db2.gz JQIRSWJMMNRWOT-AWEZNQCLSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000543034105 1073192072 /nfs/dbraw/zinc/19/20/72/1073192072.db2.gz JQIRSWJMMNRWOT-AWEZNQCLSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000543034109 1073191988 /nfs/dbraw/zinc/19/19/88/1073191988.db2.gz JQIRSWJMMNRWOT-CQSZACIVSA-N 1 2 442.480 -0.165 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000543034109 1073191986 /nfs/dbraw/zinc/19/19/86/1073191986.db2.gz JQIRSWJMMNRWOT-CQSZACIVSA-N 1 2 442.480 -0.165 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1 ZINC000543034661 1073192481 /nfs/dbraw/zinc/19/24/81/1073192481.db2.gz UNQSWQMQENJULW-AWEZNQCLSA-N 1 2 429.481 -0.123 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1 ZINC000543034665 1073192442 /nfs/dbraw/zinc/19/24/42/1073192442.db2.gz UNQSWQMQENJULW-CQSZACIVSA-N 1 2 429.481 -0.123 20 0 IBADLO Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000543056508 1073194743 /nfs/dbraw/zinc/19/47/43/1073194743.db2.gz KWRIMTQMGQKOGT-UHFFFAOYSA-N 1 2 442.524 -0.091 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCS1(=O)=O ZINC000543128265 1073201431 /nfs/dbraw/zinc/20/14/31/1073201431.db2.gz ZAKFTIMTXISXTM-HNNXBMFYSA-N 1 2 430.552 -0.383 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCS1(=O)=O ZINC000543128266 1073201416 /nfs/dbraw/zinc/20/14/16/1073201416.db2.gz ZAKFTIMTXISXTM-OAHLLOKOSA-N 1 2 430.552 -0.383 20 0 IBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543196755 1073208015 /nfs/dbraw/zinc/20/80/15/1073208015.db2.gz QOEKCRHMMHYSLK-INIZCTEOSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543196755 1073208008 /nfs/dbraw/zinc/20/80/08/1073208008.db2.gz QOEKCRHMMHYSLK-INIZCTEOSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543196768 1073208051 /nfs/dbraw/zinc/20/80/51/1073208051.db2.gz QOEKCRHMMHYSLK-MRXNPFEDSA-N 1 2 429.564 -0.267 20 0 IBADLO O=C(C[N@H+]1CCSC[C@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543196768 1073208046 /nfs/dbraw/zinc/20/80/46/1073208046.db2.gz QOEKCRHMMHYSLK-MRXNPFEDSA-N 1 2 429.564 -0.267 20 0 IBADLO CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000543222535 1073209745 /nfs/dbraw/zinc/20/97/45/1073209745.db2.gz SISDYPYUFWJBJL-UHFFFAOYSA-N 1 2 443.512 -0.053 20 0 IBADLO CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000543222535 1073209740 /nfs/dbraw/zinc/20/97/40/1073209740.db2.gz SISDYPYUFWJBJL-UHFFFAOYSA-N 1 2 443.512 -0.053 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000543251929 1073334436 /nfs/dbraw/zinc/33/44/36/1073334436.db2.gz QRIWPSOQUQGTTF-KRWDZBQOSA-N 1 2 441.492 -0.139 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000543251938 1073334453 /nfs/dbraw/zinc/33/44/53/1073334453.db2.gz QRIWPSOQUQGTTF-QGZVFWFLSA-N 1 2 441.492 -0.139 20 0 IBADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000543411987 1073218562 /nfs/dbraw/zinc/21/85/62/1073218562.db2.gz RUOAXYZQXDZRHM-KRWDZBQOSA-N 1 2 434.522 -0.071 20 0 IBADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000543411987 1073218552 /nfs/dbraw/zinc/21/85/52/1073218552.db2.gz RUOAXYZQXDZRHM-KRWDZBQOSA-N 1 2 434.522 -0.071 20 0 IBADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000543411988 1073218703 /nfs/dbraw/zinc/21/87/03/1073218703.db2.gz RUOAXYZQXDZRHM-QGZVFWFLSA-N 1 2 434.522 -0.071 20 0 IBADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000543411988 1073218697 /nfs/dbraw/zinc/21/86/97/1073218697.db2.gz RUOAXYZQXDZRHM-QGZVFWFLSA-N 1 2 434.522 -0.071 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000543439119 1073221458 /nfs/dbraw/zinc/22/14/58/1073221458.db2.gz SRIZYRPTXCBDHT-KRWDZBQOSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000543439119 1073221455 /nfs/dbraw/zinc/22/14/55/1073221455.db2.gz SRIZYRPTXCBDHT-KRWDZBQOSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000543439120 1073221389 /nfs/dbraw/zinc/22/13/89/1073221389.db2.gz SRIZYRPTXCBDHT-QGZVFWFLSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000543439120 1073221381 /nfs/dbraw/zinc/22/13/81/1073221381.db2.gz SRIZYRPTXCBDHT-QGZVFWFLSA-N 1 2 441.529 -0.339 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000543442164 1073221402 /nfs/dbraw/zinc/22/14/02/1073221402.db2.gz NTIWXLYXESWIBT-INIZCTEOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000543442164 1073221397 /nfs/dbraw/zinc/22/13/97/1073221397.db2.gz NTIWXLYXESWIBT-INIZCTEOSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000543442167 1073221365 /nfs/dbraw/zinc/22/13/65/1073221365.db2.gz NTIWXLYXESWIBT-MRXNPFEDSA-N 1 2 448.542 -0.589 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000543442167 1073221358 /nfs/dbraw/zinc/22/13/58/1073221358.db2.gz NTIWXLYXESWIBT-MRXNPFEDSA-N 1 2 448.542 -0.589 20 0 IBADLO Cn1nnc2cc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cnc21 ZINC000543467110 1073222811 /nfs/dbraw/zinc/22/28/11/1073222811.db2.gz ZXXLIYYTHNGURO-UHFFFAOYSA-N 1 2 430.494 -0.360 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1S(=O)(=O)N1CCCC1 ZINC000543525823 1073253351 /nfs/dbraw/zinc/25/33/51/1073253351.db2.gz HKTRMTGICUTPSY-UHFFFAOYSA-N 1 2 440.522 -0.445 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000543526097 1073253511 /nfs/dbraw/zinc/25/35/11/1073253511.db2.gz BZJUMTLIENYENP-UHFFFAOYSA-N 1 2 442.538 -0.199 20 0 IBADLO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543526107 1073253405 /nfs/dbraw/zinc/25/34/05/1073253405.db2.gz DNUUVHQOLXUZBX-UHFFFAOYSA-N 1 2 427.527 -0.922 20 0 IBADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)N(C)C ZINC000543526158 1073253458 /nfs/dbraw/zinc/25/34/58/1073253458.db2.gz CSAWJYBFHQHVPJ-UHFFFAOYSA-N 1 2 428.511 -0.589 20 0 IBADLO O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543526613 1073254402 /nfs/dbraw/zinc/25/44/02/1073254402.db2.gz IDXYJVUNRPGQSD-UHFFFAOYSA-N 1 2 430.461 -0.020 20 0 IBADLO O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527506 1073254431 /nfs/dbraw/zinc/25/44/31/1073254431.db2.gz NOLZYYYLDHBXHE-INIZCTEOSA-N 1 2 425.507 -0.286 20 0 IBADLO O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527507 1073254344 /nfs/dbraw/zinc/25/43/44/1073254344.db2.gz NOLZYYYLDHBXHE-MRXNPFEDSA-N 1 2 425.507 -0.286 20 0 IBADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(S(C)(=O)=O)c1 ZINC000543529326 1073253376 /nfs/dbraw/zinc/25/33/76/1073253376.db2.gz IKIUOLZFDHABIP-UHFFFAOYSA-N 1 2 427.479 -0.658 20 0 IBADLO COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529375 1073253994 /nfs/dbraw/zinc/25/39/94/1073253994.db2.gz KJTLYVXDTBSVLR-UHFFFAOYSA-N 1 2 425.438 -0.426 20 0 IBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543533928 1073255364 /nfs/dbraw/zinc/25/53/64/1073255364.db2.gz LTTBWYIOHSEGML-UHFFFAOYSA-N 1 2 426.495 -0.789 20 0 IBADLO Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]1 ZINC000543534171 1073255347 /nfs/dbraw/zinc/25/53/47/1073255347.db2.gz RHGOYMZPIMKNEF-UHFFFAOYSA-N 1 2 448.505 -0.303 20 0 IBADLO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000543552473 1073256667 /nfs/dbraw/zinc/25/66/67/1073256667.db2.gz XLBNAHMPUSTSHP-GOSISDBHSA-N 1 2 441.536 -0.079 20 0 IBADLO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000543552481 1073256744 /nfs/dbraw/zinc/25/67/44/1073256744.db2.gz XLBNAHMPUSTSHP-SFHVURJKSA-N 1 2 441.536 -0.079 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543555476 1073257291 /nfs/dbraw/zinc/25/72/91/1073257291.db2.gz SQRNYOMPRKSFCM-KRWDZBQOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543555476 1073257286 /nfs/dbraw/zinc/25/72/86/1073257286.db2.gz SQRNYOMPRKSFCM-KRWDZBQOSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543555477 1073257329 /nfs/dbraw/zinc/25/73/29/1073257329.db2.gz SQRNYOMPRKSFCM-QGZVFWFLSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543555477 1073257323 /nfs/dbraw/zinc/25/73/23/1073257323.db2.gz SQRNYOMPRKSFCM-QGZVFWFLSA-N 1 2 426.514 -0.325 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000543557360 1073257783 /nfs/dbraw/zinc/25/77/83/1073257783.db2.gz DHKOTPWJPNQULP-FXAWDEMLSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000543557360 1073257777 /nfs/dbraw/zinc/25/77/77/1073257777.db2.gz DHKOTPWJPNQULP-FXAWDEMLSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000543557361 1073257583 /nfs/dbraw/zinc/25/75/83/1073257583.db2.gz DHKOTPWJPNQULP-PXNSSMCTSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000543557361 1073257578 /nfs/dbraw/zinc/25/75/78/1073257578.db2.gz DHKOTPWJPNQULP-PXNSSMCTSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000543557362 1073257725 /nfs/dbraw/zinc/25/77/25/1073257725.db2.gz DHKOTPWJPNQULP-XLIONFOSSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000543557362 1073257711 /nfs/dbraw/zinc/25/77/11/1073257711.db2.gz DHKOTPWJPNQULP-XLIONFOSSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000543557363 1073257817 /nfs/dbraw/zinc/25/78/17/1073257817.db2.gz DHKOTPWJPNQULP-YLJYHZDGSA-N 1 2 430.505 -0.486 20 0 IBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000543557363 1073257805 /nfs/dbraw/zinc/25/78/05/1073257805.db2.gz DHKOTPWJPNQULP-YLJYHZDGSA-N 1 2 430.505 -0.486 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000543558018 1073257135 /nfs/dbraw/zinc/25/71/35/1073257135.db2.gz SXVGHIFOENMBQF-GOSISDBHSA-N 1 2 427.527 -0.146 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000543558018 1073257131 /nfs/dbraw/zinc/25/71/31/1073257131.db2.gz SXVGHIFOENMBQF-GOSISDBHSA-N 1 2 427.527 -0.146 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000543558023 1073257273 /nfs/dbraw/zinc/25/72/73/1073257273.db2.gz SXVGHIFOENMBQF-SFHVURJKSA-N 1 2 427.527 -0.146 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000543558023 1073257269 /nfs/dbraw/zinc/25/72/69/1073257269.db2.gz SXVGHIFOENMBQF-SFHVURJKSA-N 1 2 427.527 -0.146 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000543614250 1073324529 /nfs/dbraw/zinc/32/45/29/1073324529.db2.gz BLTSEVFFQXNGAL-UHFFFAOYSA-N 1 2 447.540 -0.619 20 0 IBADLO CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000543615566 1073325123 /nfs/dbraw/zinc/32/51/23/1073325123.db2.gz YYTDQXBDGKOMEW-UHFFFAOYSA-N 1 2 445.524 -0.329 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(CC(=O)NC4CC4)CC3)ccn2)CC1 ZINC000543615797 1073326078 /nfs/dbraw/zinc/32/60/78/1073326078.db2.gz QTUSJVVRSIZGEL-UHFFFAOYSA-N 1 2 429.525 -0.103 20 0 IBADLO COC(=O)CCN1CC[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000543616486 1073326017 /nfs/dbraw/zinc/32/60/17/1073326017.db2.gz FQKSYWGZQJZEQA-HNNXBMFYSA-N 1 2 432.481 -0.245 20 0 IBADLO COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000543616487 1073326004 /nfs/dbraw/zinc/32/60/04/1073326004.db2.gz FQKSYWGZQJZEQA-OAHLLOKOSA-N 1 2 432.481 -0.245 20 0 IBADLO Cn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccc1=O ZINC000543815016 1074507436 /nfs/dbraw/zinc/50/74/36/1074507436.db2.gz UMCWTUANZUXQLD-UHFFFAOYSA-N 1 2 427.465 -0.701 20 0 IBADLO Cn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ccc1=O ZINC000543815016 1074507430 /nfs/dbraw/zinc/50/74/30/1074507430.db2.gz UMCWTUANZUXQLD-UHFFFAOYSA-N 1 2 427.465 -0.701 20 0 IBADLO COC(=O)c1ccccc1OCCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543852539 1074509801 /nfs/dbraw/zinc/50/98/01/1074509801.db2.gz WSNWVECLLGATGU-UHFFFAOYSA-N 1 2 426.539 -0.038 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000543933934 1074513908 /nfs/dbraw/zinc/51/39/08/1074513908.db2.gz ZOHJHZVTTJDZNU-UHFFFAOYSA-N 1 2 428.453 -0.601 20 0 IBADLO COc1ncncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000543933934 1074513902 /nfs/dbraw/zinc/51/39/02/1074513902.db2.gz ZOHJHZVTTJDZNU-UHFFFAOYSA-N 1 2 428.453 -0.601 20 0 IBADLO COc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000543934259 1074513985 /nfs/dbraw/zinc/51/39/85/1074513985.db2.gz JOZFSCRNDQHBMR-UHFFFAOYSA-N 1 2 439.538 -0.939 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000543940332 1074372405 /nfs/dbraw/zinc/37/24/05/1074372405.db2.gz NVLJRHQJPFLYBK-UHFFFAOYSA-N 1 2 432.460 -0.960 20 0 IBADLO COc1c(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cccc1C(N)=O ZINC000543941692 1074514350 /nfs/dbraw/zinc/51/43/50/1074514350.db2.gz VPURQGFNVGBTTL-UHFFFAOYSA-N 1 2 431.493 -0.111 20 0 IBADLO COc1c(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cccc1C(N)=O ZINC000543941692 1074514343 /nfs/dbraw/zinc/51/43/43/1074514343.db2.gz VPURQGFNVGBTTL-UHFFFAOYSA-N 1 2 431.493 -0.111 20 0 IBADLO COc1ncncc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543941746 1074514250 /nfs/dbraw/zinc/51/42/50/1074514250.db2.gz HOBOHXKJYOFBAO-UHFFFAOYSA-N 1 2 449.493 -0.913 20 0 IBADLO Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)n1 ZINC000543983992 1074516650 /nfs/dbraw/zinc/51/66/50/1074516650.db2.gz QQEIUUGMQVLMDC-UHFFFAOYSA-N 1 2 442.524 -0.091 20 0 IBADLO COC(=O)COc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000544009513 1071030959 /nfs/dbraw/zinc/03/09/59/1071030959.db2.gz NNVXAVIZJOZOMJ-UHFFFAOYSA-N 1 2 426.539 -0.152 20 0 IBADLO COc1cncc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000544034213 1074520833 /nfs/dbraw/zinc/52/08/33/1074520833.db2.gz ORUWIJBMMHKWLZ-UHFFFAOYSA-N 1 2 441.535 -0.085 20 0 IBADLO Cc1ncc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]1 ZINC000544136220 1074527256 /nfs/dbraw/zinc/52/72/56/1074527256.db2.gz NNTPSQDSXFJNBM-UHFFFAOYSA-N 1 2 435.510 -0.163 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000544400995 1074536748 /nfs/dbraw/zinc/53/67/48/1074536748.db2.gz SRZOOEYFDPUVQO-INIZCTEOSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000544400995 1074536743 /nfs/dbraw/zinc/53/67/43/1074536743.db2.gz SRZOOEYFDPUVQO-INIZCTEOSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000544400996 1074536839 /nfs/dbraw/zinc/53/68/39/1074536839.db2.gz SRZOOEYFDPUVQO-MRXNPFEDSA-N 1 2 430.552 -0.728 20 0 IBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000544400996 1074536834 /nfs/dbraw/zinc/53/68/34/1074536834.db2.gz SRZOOEYFDPUVQO-MRXNPFEDSA-N 1 2 430.552 -0.728 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000544442630 1074538789 /nfs/dbraw/zinc/53/87/89/1074538789.db2.gz OROAQZFPVQUJGP-UHFFFAOYSA-N 1 2 439.586 -0.041 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2)CC1 ZINC000544492163 1074540680 /nfs/dbraw/zinc/54/06/80/1074540680.db2.gz CKSOVDFZQFKAQT-FQEVSTJZSA-N 1 2 429.521 -0.168 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2)CC1 ZINC000544492165 1074540632 /nfs/dbraw/zinc/54/06/32/1074540632.db2.gz CKSOVDFZQFKAQT-HXUWFJFHSA-N 1 2 429.521 -0.168 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)NC1CC1 ZINC000544496284 1074541118 /nfs/dbraw/zinc/54/11/18/1074541118.db2.gz QDXAGRSHINMEJE-UHFFFAOYSA-N 1 2 426.495 -0.789 20 0 IBADLO O=C(Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544497823 1074541849 /nfs/dbraw/zinc/54/18/49/1074541849.db2.gz ILYSUYCZROYIQE-UHFFFAOYSA-N 1 2 443.504 -0.425 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000544498235 1074541518 /nfs/dbraw/zinc/54/15/18/1074541518.db2.gz VSKKJRGXFZIWJZ-UHFFFAOYSA-N 1 2 438.550 -0.257 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)ccn2)CC1 ZINC000544589929 1074546858 /nfs/dbraw/zinc/54/68/58/1074546858.db2.gz FLSZGFCRGSMBQO-UHFFFAOYSA-N 1 2 443.508 -0.576 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)ccn2)CC1 ZINC000544590395 1074546731 /nfs/dbraw/zinc/54/67/31/1074546731.db2.gz LTOMONRHSNRWSE-UHFFFAOYSA-N 1 2 430.469 -0.582 20 0 IBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000544591424 1074546777 /nfs/dbraw/zinc/54/67/77/1074546777.db2.gz AOAXHEQPNIQUKK-UHFFFAOYSA-N 1 2 445.524 -0.330 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)ccn2)CC1 ZINC000544591705 1074546709 /nfs/dbraw/zinc/54/67/09/1074546709.db2.gz DPOUGMYNVBLMRZ-RBZFPXEDSA-N 1 2 429.481 -0.031 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)ccn2)CC1 ZINC000544591706 1074546822 /nfs/dbraw/zinc/54/68/22/1074546822.db2.gz DPOUGMYNVBLMRZ-RNODOKPDSA-N 1 2 429.481 -0.031 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)ccn2)CC1 ZINC000544591707 1074546905 /nfs/dbraw/zinc/54/69/05/1074546905.db2.gz DPOUGMYNVBLMRZ-XCLFUZPHSA-N 1 2 429.481 -0.031 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)ccn2)CC1 ZINC000544591708 1074546753 /nfs/dbraw/zinc/54/67/53/1074546753.db2.gz DPOUGMYNVBLMRZ-ZUOKHONESA-N 1 2 429.481 -0.031 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000544668911 1074548380 /nfs/dbraw/zinc/54/83/80/1074548380.db2.gz DGGCRMQJUDKXJB-HNNXBMFYSA-N 1 2 445.567 -0.590 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000544668912 1074548300 /nfs/dbraw/zinc/54/83/00/1074548300.db2.gz DGGCRMQJUDKXJB-OAHLLOKOSA-N 1 2 445.567 -0.590 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000544742268 1074374499 /nfs/dbraw/zinc/37/44/99/1074374499.db2.gz LGHWRMOITBKPFS-UHFFFAOYSA-N 1 2 432.460 -0.568 20 0 IBADLO CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000544749799 1074551725 /nfs/dbraw/zinc/55/17/25/1074551725.db2.gz GMBJEFZKASESCE-KRWDZBQOSA-N 1 2 438.550 -0.423 20 0 IBADLO CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000544749812 1074551663 /nfs/dbraw/zinc/55/16/63/1074551663.db2.gz GMBJEFZKASESCE-QGZVFWFLSA-N 1 2 438.550 -0.423 20 0 IBADLO Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000544752347 1074551640 /nfs/dbraw/zinc/55/16/40/1074551640.db2.gz BRAYMOMBMBNGEY-UHFFFAOYSA-N 1 2 428.497 -0.399 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc[nH+]1 ZINC000544755641 1074551771 /nfs/dbraw/zinc/55/17/71/1074551771.db2.gz VTIIODVYZDPUFQ-UHFFFAOYSA-N 1 2 438.448 -0.982 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc[nH+]1 ZINC000544756860 1074374529 /nfs/dbraw/zinc/37/45/29/1074374529.db2.gz XZSHSOOPXMMDKE-UHFFFAOYSA-N 1 2 442.480 -0.872 20 0 IBADLO COC(=O)c1cn(C2CC[NH+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)nn1 ZINC000544759327 1074552272 /nfs/dbraw/zinc/55/22/72/1074552272.db2.gz WVMRCFGFEUXYJN-UHFFFAOYSA-N 1 2 447.496 -0.317 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@]12CCCO2 ZINC000544763419 1074552115 /nfs/dbraw/zinc/55/21/15/1074552115.db2.gz VINOROUAWIPKIX-LMMKCTJWSA-N 1 2 445.586 -0.468 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@]12CCCO2 ZINC000544763422 1074552237 /nfs/dbraw/zinc/55/22/37/1074552237.db2.gz VINOROUAWIPKIX-SCTDSRPQSA-N 1 2 445.586 -0.468 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@]12CCCO2 ZINC000544763423 1074552125 /nfs/dbraw/zinc/55/21/25/1074552125.db2.gz VINOROUAWIPKIX-YQVWRLOYSA-N 1 2 445.586 -0.468 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@]12CCCO2 ZINC000544763424 1074552162 /nfs/dbraw/zinc/55/21/62/1074552162.db2.gz VINOROUAWIPKIX-ZHALLVOQSA-N 1 2 445.586 -0.468 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000544786396 1074553682 /nfs/dbraw/zinc/55/36/82/1074553682.db2.gz XITZFQXTRAGCSO-UHFFFAOYSA-N 1 2 440.487 -0.237 20 0 IBADLO CN(C)c1ncncc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000544862107 1074555827 /nfs/dbraw/zinc/55/58/27/1074555827.db2.gz KTXIDWBPDDYMDP-UHFFFAOYSA-N 1 2 426.481 -0.269 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000544895517 1074557850 /nfs/dbraw/zinc/55/78/50/1074557850.db2.gz YNGWUWDJABREOI-GFCCVEGCSA-N 1 2 433.469 -0.707 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000544895517 1074557843 /nfs/dbraw/zinc/55/78/43/1074557843.db2.gz YNGWUWDJABREOI-GFCCVEGCSA-N 1 2 433.469 -0.707 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000544895518 1074558041 /nfs/dbraw/zinc/55/80/41/1074558041.db2.gz YNGWUWDJABREOI-LBPRGKRZSA-N 1 2 433.469 -0.707 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000544895518 1074558033 /nfs/dbraw/zinc/55/80/33/1074558033.db2.gz YNGWUWDJABREOI-LBPRGKRZSA-N 1 2 433.469 -0.707 20 0 IBADLO CCOCCS(=O)(=O)NCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000545041958 1074563277 /nfs/dbraw/zinc/56/32/77/1074563277.db2.gz CFTUMHFPXGWHFC-UHFFFAOYSA-N 1 2 438.510 -0.025 20 0 IBADLO CCc1nncn1CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000545261343 1074574505 /nfs/dbraw/zinc/57/45/05/1074574505.db2.gz OJPIBMIEPALNLC-UHFFFAOYSA-N 1 2 436.542 -0.313 20 0 IBADLO CC1(Cn2cc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)nn2)COC1 ZINC000545364800 1074578693 /nfs/dbraw/zinc/57/86/93/1074578693.db2.gz RKRQHGRLGKZRIC-UHFFFAOYSA-N 1 2 428.497 -0.096 20 0 IBADLO CC1(Cn2cc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)nn2)COC1 ZINC000545364800 1074578687 /nfs/dbraw/zinc/57/86/87/1074578687.db2.gz RKRQHGRLGKZRIC-UHFFFAOYSA-N 1 2 428.497 -0.096 20 0 IBADLO COc1cc2c(cc1C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)OCO2 ZINC000545377281 1074579525 /nfs/dbraw/zinc/57/95/25/1074579525.db2.gz JIHJGQUXSCEBDI-UHFFFAOYSA-N 1 2 426.495 -0.326 20 0 IBADLO Cc1nccc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)n1 ZINC000545391318 1074579806 /nfs/dbraw/zinc/57/98/06/1074579806.db2.gz DNHZXMMDTNKJMZ-UHFFFAOYSA-N 1 2 428.497 -0.399 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1OCC(N)=O ZINC000545391965 1074579851 /nfs/dbraw/zinc/57/98/51/1074579851.db2.gz LZDCAXNWWCJBRB-UHFFFAOYSA-N 1 2 428.449 -0.055 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000545393736 1074579905 /nfs/dbraw/zinc/57/99/05/1074579905.db2.gz ZZZHMVFZOXALIL-UHFFFAOYSA-N 1 2 440.460 -0.025 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)CC2 ZINC000545394009 1074579867 /nfs/dbraw/zinc/57/98/67/1074579867.db2.gz TVLDZCMVKWMVFK-UHFFFAOYSA-N 1 2 444.517 -0.069 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c(=O)[nH]c1=O ZINC000545396080 1074580356 /nfs/dbraw/zinc/58/03/56/1074580356.db2.gz UOIRFCDUIDVFAX-UHFFFAOYSA-N 1 2 435.441 -0.925 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)ccn2)CC1 ZINC000545495234 1074586357 /nfs/dbraw/zinc/58/63/57/1074586357.db2.gz HDSNNOUNFSMIDR-INIZCTEOSA-N 1 2 443.508 -0.530 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)ccn2)CC1 ZINC000545495235 1074586419 /nfs/dbraw/zinc/58/64/19/1074586419.db2.gz HDSNNOUNFSMIDR-MRXNPFEDSA-N 1 2 443.508 -0.530 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545520519 1074587949 /nfs/dbraw/zinc/58/79/49/1074587949.db2.gz PERSQZSMWROBMQ-CYBMUJFWSA-N 1 2 434.478 -0.452 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545520519 1074587942 /nfs/dbraw/zinc/58/79/42/1074587942.db2.gz PERSQZSMWROBMQ-CYBMUJFWSA-N 1 2 434.478 -0.452 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545520520 1074588535 /nfs/dbraw/zinc/58/85/35/1074588535.db2.gz PERSQZSMWROBMQ-ZDUSSCGKSA-N 1 2 434.478 -0.452 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545520520 1074588526 /nfs/dbraw/zinc/58/85/26/1074588526.db2.gz PERSQZSMWROBMQ-ZDUSSCGKSA-N 1 2 434.478 -0.452 20 0 IBADLO CCN1CCN(Cc2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)C(=O)C1=O ZINC000545756273 1074596799 /nfs/dbraw/zinc/59/67/99/1074596799.db2.gz STFIHOHQEBRGRE-UHFFFAOYSA-N 1 2 427.465 -0.290 20 0 IBADLO Cc1noc(C)c1CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000545856855 1074599686 /nfs/dbraw/zinc/59/96/86/1074599686.db2.gz JOEAGUUASZUZLL-KRWDZBQOSA-N 1 2 446.508 0.576 20 0 IBADLO Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000545856862 1074599716 /nfs/dbraw/zinc/59/97/16/1074599716.db2.gz JOEAGUUASZUZLL-QGZVFWFLSA-N 1 2 446.508 0.576 20 0 IBADLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545880796 1074600733 /nfs/dbraw/zinc/60/07/33/1074600733.db2.gz VTJUZWLYARXBEV-AWEZNQCLSA-N 1 2 448.505 -0.062 20 0 IBADLO COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545880796 1074600730 /nfs/dbraw/zinc/60/07/30/1074600730.db2.gz VTJUZWLYARXBEV-AWEZNQCLSA-N 1 2 448.505 -0.062 20 0 IBADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545880797 1074600737 /nfs/dbraw/zinc/60/07/37/1074600737.db2.gz VTJUZWLYARXBEV-CQSZACIVSA-N 1 2 448.505 -0.062 20 0 IBADLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nn1 ZINC000545880797 1074600736 /nfs/dbraw/zinc/60/07/36/1074600736.db2.gz VTJUZWLYARXBEV-CQSZACIVSA-N 1 2 448.505 -0.062 20 0 IBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1(=O)=O ZINC000545903877 1073596094 /nfs/dbraw/zinc/59/60/94/1073596094.db2.gz OLKOHHAGZFTLTL-HNNXBMFYSA-N 1 2 445.567 -0.638 20 0 IBADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000545904857 1074602157 /nfs/dbraw/zinc/60/21/57/1074602157.db2.gz LFXWBKWSXXRFRQ-KBPBESRZSA-N 1 2 446.551 -0.725 20 0 IBADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000545904858 1074602189 /nfs/dbraw/zinc/60/21/89/1074602189.db2.gz LFXWBKWSXXRFRQ-KGLIPLIRSA-N 1 2 446.551 -0.725 20 0 IBADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000545904859 1074602774 /nfs/dbraw/zinc/60/27/74/1074602774.db2.gz LFXWBKWSXXRFRQ-UONOGXRCSA-N 1 2 446.551 -0.725 20 0 IBADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000545904860 1074602855 /nfs/dbraw/zinc/60/28/55/1074602855.db2.gz LFXWBKWSXXRFRQ-ZIAGYGMSSA-N 1 2 446.551 -0.725 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000546029948 1073334616 /nfs/dbraw/zinc/33/46/16/1073334616.db2.gz TZZSDGYPSBSZBU-UHFFFAOYSA-N 1 2 426.543 0.293 20 0 IBADLO CNc1nnc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000546082318 1074611780 /nfs/dbraw/zinc/61/17/80/1074611780.db2.gz MPNJHDBQHXRHFY-UHFFFAOYSA-N 1 2 425.540 -0.215 20 0 IBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1=O ZINC000546095441 1074612491 /nfs/dbraw/zinc/61/24/91/1074612491.db2.gz CPPFBABHKYNFKH-UHFFFAOYSA-N 1 2 428.449 -0.203 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)cc[nH+]1 ZINC000546096506 1074612448 /nfs/dbraw/zinc/61/24/48/1074612448.db2.gz MOHPFZLNBVDBGD-UHFFFAOYSA-N 1 2 442.480 -0.872 20 0 IBADLO Cc1nc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc[nH+]1 ZINC000546108685 1074612962 /nfs/dbraw/zinc/61/29/62/1074612962.db2.gz CBGGSPBYVDEFER-CYBMUJFWSA-N 1 2 432.506 -0.100 20 0 IBADLO Cc1nc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc[nH+]1 ZINC000546108686 1074613003 /nfs/dbraw/zinc/61/30/03/1074613003.db2.gz CBGGSPBYVDEFER-ZDUSSCGKSA-N 1 2 432.506 -0.100 20 0 IBADLO Cc1nc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cc[nH+]1 ZINC000546109334 1074613018 /nfs/dbraw/zinc/61/30/18/1074613018.db2.gz GZCHVEHOJFEUPA-UHFFFAOYSA-N 1 2 432.462 -0.311 20 0 IBADLO COC(=O)c1cn(C2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nn1 ZINC000546109904 1074613099 /nfs/dbraw/zinc/61/30/99/1074613099.db2.gz UNRJSWBLKRUJSI-HNNXBMFYSA-N 1 2 434.497 -0.591 20 0 IBADLO COC(=O)c1cn(C2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nn1 ZINC000546109911 1074612975 /nfs/dbraw/zinc/61/29/75/1074612975.db2.gz UNRJSWBLKRUJSI-OAHLLOKOSA-N 1 2 434.497 -0.591 20 0 IBADLO CNc1nc(N2CC[C@H](NC(=O)NC3CC3)C2)[nH+]c(N2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000546174107 1074615631 /nfs/dbraw/zinc/61/56/31/1074615631.db2.gz FCEAEZQQSQISMW-GJZGRUSLSA-N 1 2 444.544 -0.584 20 0 IBADLO CNc1nc(N2CC[C@@H](NC(=O)NC3CC3)C2)[nH+]c(N2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000546174108 1074615616 /nfs/dbraw/zinc/61/56/16/1074615616.db2.gz FCEAEZQQSQISMW-HUUCEWRRSA-N 1 2 444.544 -0.584 20 0 IBADLO COC(=O)c1cn([C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)nn1 ZINC000546176208 1074616015 /nfs/dbraw/zinc/61/60/15/1074616015.db2.gz DYFCYVOHEZVQCT-HNNXBMFYSA-N 1 2 429.485 -0.367 20 0 IBADLO COC(=O)c1cn([C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)nn1 ZINC000546176209 1074616136 /nfs/dbraw/zinc/61/61/36/1074616136.db2.gz DYFCYVOHEZVQCT-OAHLLOKOSA-N 1 2 429.485 -0.367 20 0 IBADLO Cc1nc(N2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2)cc[nH+]1 ZINC000546190938 1072158128 /nfs/dbraw/zinc/15/81/28/1072158128.db2.gz NQHQSLZYEFHXEL-UHFFFAOYSA-N 1 2 438.492 0.438 20 0 IBADLO Cc1nc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc[nH+]1 ZINC000546191620 1074618091 /nfs/dbraw/zinc/61/80/91/1074618091.db2.gz DEWWHHAEKNBAHI-UHFFFAOYSA-N 1 2 444.517 -0.132 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206112 1074619522 /nfs/dbraw/zinc/61/95/22/1074619522.db2.gz VIIBWGLVYAIZCQ-DOMZBBRYSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206112 1074619517 /nfs/dbraw/zinc/61/95/17/1074619517.db2.gz VIIBWGLVYAIZCQ-DOMZBBRYSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206115 1074619608 /nfs/dbraw/zinc/61/96/08/1074619608.db2.gz VIIBWGLVYAIZCQ-IUODEOHRSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206115 1074619606 /nfs/dbraw/zinc/61/96/06/1074619606.db2.gz VIIBWGLVYAIZCQ-IUODEOHRSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206116 1074619532 /nfs/dbraw/zinc/61/95/32/1074619532.db2.gz VIIBWGLVYAIZCQ-SWLSCSKDSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206116 1074619530 /nfs/dbraw/zinc/61/95/30/1074619530.db2.gz VIIBWGLVYAIZCQ-SWLSCSKDSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206117 1074619473 /nfs/dbraw/zinc/61/94/73/1074619473.db2.gz VIIBWGLVYAIZCQ-WFASDCNBSA-N 1 2 448.461 -0.709 20 0 IBADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nn1 ZINC000546206117 1074619470 /nfs/dbraw/zinc/61/94/70/1074619470.db2.gz VIIBWGLVYAIZCQ-WFASDCNBSA-N 1 2 448.461 -0.709 20 0 IBADLO CN(C)C(=O)Cn1cc(-c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)nn1 ZINC000546465065 1074629055 /nfs/dbraw/zinc/62/90/55/1074629055.db2.gz QSQBUDOHFFQBOP-UHFFFAOYSA-N 1 2 425.453 -0.134 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546585401 1074635121 /nfs/dbraw/zinc/63/51/21/1074635121.db2.gz MMKVBVSBJMOHKI-LLVKDONJSA-N 1 2 435.441 -0.925 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546585401 1074635115 /nfs/dbraw/zinc/63/51/15/1074635115.db2.gz MMKVBVSBJMOHKI-LLVKDONJSA-N 1 2 435.441 -0.925 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546585402 1074635294 /nfs/dbraw/zinc/63/52/94/1074635294.db2.gz MMKVBVSBJMOHKI-NSHDSACASA-N 1 2 435.441 -0.925 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546585402 1074635291 /nfs/dbraw/zinc/63/52/91/1074635291.db2.gz MMKVBVSBJMOHKI-NSHDSACASA-N 1 2 435.441 -0.925 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000546736833 1074642130 /nfs/dbraw/zinc/64/21/30/1074642130.db2.gz NMWVMLSLGHXBIX-HNNXBMFYSA-N 1 2 428.555 -0.760 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000546736834 1074642088 /nfs/dbraw/zinc/64/20/88/1074642088.db2.gz NMWVMLSLGHXBIX-OAHLLOKOSA-N 1 2 428.555 -0.760 20 0 IBADLO CC1(Cn2cc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)nn2)COC1 ZINC000546772104 1074643244 /nfs/dbraw/zinc/64/32/44/1074643244.db2.gz ARHZZHOXVHPLAH-UHFFFAOYSA-N 1 2 449.537 -0.409 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000546794902 1074644747 /nfs/dbraw/zinc/64/47/47/1074644747.db2.gz VKAZIHUKUDQJNM-UHFFFAOYSA-N 1 2 432.460 -0.568 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC000546803118 1074645163 /nfs/dbraw/zinc/64/51/63/1074645163.db2.gz RRIAMPCOVLMAHX-UHFFFAOYSA-N 1 2 430.469 -0.969 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc[nH+]1 ZINC000546806807 1074645982 /nfs/dbraw/zinc/64/59/82/1074645982.db2.gz KIPQDEPMZRPECK-UHFFFAOYSA-N 1 2 425.449 -0.713 20 0 IBADLO Cc1nc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cc[nH+]1 ZINC000546817376 1074645956 /nfs/dbraw/zinc/64/59/56/1074645956.db2.gz BLJYCKNJRUXMFJ-UHFFFAOYSA-N 1 2 444.517 -0.132 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546820800 1074646235 /nfs/dbraw/zinc/64/62/35/1074646235.db2.gz PJPQMUZWHUKVKU-CABCVRRESA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546820800 1074646231 /nfs/dbraw/zinc/64/62/31/1074646231.db2.gz PJPQMUZWHUKVKU-CABCVRRESA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546820801 1074646269 /nfs/dbraw/zinc/64/62/69/1074646269.db2.gz PJPQMUZWHUKVKU-GJZGRUSLSA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546820801 1074646262 /nfs/dbraw/zinc/64/62/62/1074646262.db2.gz PJPQMUZWHUKVKU-GJZGRUSLSA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546820802 1074646303 /nfs/dbraw/zinc/64/63/03/1074646303.db2.gz PJPQMUZWHUKVKU-HUUCEWRRSA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546820802 1074646298 /nfs/dbraw/zinc/64/62/98/1074646298.db2.gz PJPQMUZWHUKVKU-HUUCEWRRSA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546820803 1074646356 /nfs/dbraw/zinc/64/63/56/1074646356.db2.gz PJPQMUZWHUKVKU-LSDHHAIUSA-N 1 2 444.496 -0.772 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546820803 1074646352 /nfs/dbraw/zinc/64/63/52/1074646352.db2.gz PJPQMUZWHUKVKU-LSDHHAIUSA-N 1 2 444.496 -0.772 20 0 IBADLO Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[nH+]c12 ZINC000546853822 1074648453 /nfs/dbraw/zinc/64/84/53/1074648453.db2.gz WLUYLKWGYSPLAQ-JTQLQIEISA-N 1 2 446.327 -0.143 20 0 IBADLO Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[nH+]c12 ZINC000546853825 1074648578 /nfs/dbraw/zinc/64/85/78/1074648578.db2.gz WLUYLKWGYSPLAQ-SNVBAGLBSA-N 1 2 446.327 -0.143 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000546930496 1074650984 /nfs/dbraw/zinc/65/09/84/1074650984.db2.gz BLCPHUUNWRLKEH-UHFFFAOYSA-N 1 2 449.519 -0.135 20 0 IBADLO Cn1cc(S(=O)(=O)NCc2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)cn1 ZINC000547172409 1074657524 /nfs/dbraw/zinc/65/75/24/1074657524.db2.gz QPYQQPDLKOGXCD-UHFFFAOYSA-N 1 2 446.493 -0.269 20 0 IBADLO COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000547269429 1074659284 /nfs/dbraw/zinc/65/92/84/1074659284.db2.gz OSGFSJCPVJSDEZ-CVEARBPZSA-N 1 2 434.497 -0.591 20 0 IBADLO COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000547269430 1074659908 /nfs/dbraw/zinc/65/99/08/1074659908.db2.gz OSGFSJCPVJSDEZ-HOTGVXAUSA-N 1 2 434.497 -0.591 20 0 IBADLO COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000547269431 1074659847 /nfs/dbraw/zinc/65/98/47/1074659847.db2.gz OSGFSJCPVJSDEZ-HZPDHXFCSA-N 1 2 434.497 -0.591 20 0 IBADLO COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000547269432 1074659834 /nfs/dbraw/zinc/65/98/34/1074659834.db2.gz OSGFSJCPVJSDEZ-JKSUJKDBSA-N 1 2 434.497 -0.591 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000547327398 1074662382 /nfs/dbraw/zinc/66/23/82/1074662382.db2.gz SSZXCVRUDQRCFE-UHFFFAOYSA-N 1 2 435.568 -0.247 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1CCOCC1 ZINC000547327477 1074662543 /nfs/dbraw/zinc/66/25/43/1074662543.db2.gz CHYZURDXBGZDQH-KRWDZBQOSA-N 1 2 425.617 -0.131 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1CCOCC1 ZINC000547327478 1074662354 /nfs/dbraw/zinc/66/23/54/1074662354.db2.gz CHYZURDXBGZDQH-QGZVFWFLSA-N 1 2 425.617 -0.131 20 0 IBADLO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000547429030 1074664443 /nfs/dbraw/zinc/66/44/43/1074664443.db2.gz OWKPDABQOOUXKQ-FQEVSTJZSA-N 1 2 444.532 -0.044 20 0 IBADLO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000547429031 1074664967 /nfs/dbraw/zinc/66/49/67/1074664967.db2.gz OWKPDABQOOUXKQ-HXUWFJFHSA-N 1 2 444.532 -0.044 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1C ZINC000547480634 1074668981 /nfs/dbraw/zinc/66/89/81/1074668981.db2.gz YLCDGVNAQKPIQP-UHFFFAOYSA-N 1 2 430.469 -0.657 20 0 IBADLO COc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1C ZINC000547480634 1074668978 /nfs/dbraw/zinc/66/89/78/1074668978.db2.gz YLCDGVNAQKPIQP-UHFFFAOYSA-N 1 2 430.469 -0.657 20 0 IBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000548083986 1070924200 /nfs/dbraw/zinc/92/42/00/1070924200.db2.gz QRANRIRGEJASEF-UHFFFAOYSA-N 1 2 444.521 -0.430 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000548180118 1070979385 /nfs/dbraw/zinc/97/93/85/1070979385.db2.gz LDVCBMCJOVWVIZ-UHFFFAOYSA-N 1 2 437.570 -0.146 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000548444581 1071028972 /nfs/dbraw/zinc/02/89/72/1071028972.db2.gz ZDBMAAZXAMESDH-KBPBESRZSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000548444582 1071028955 /nfs/dbraw/zinc/02/89/55/1071028955.db2.gz ZDBMAAZXAMESDH-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)nc[nH+]2)C1 ZINC000548444582 1071028947 /nfs/dbraw/zinc/02/89/47/1071028947.db2.gz ZDBMAAZXAMESDH-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000548444583 1071028905 /nfs/dbraw/zinc/02/89/05/1071028905.db2.gz ZDBMAAZXAMESDH-ZIAGYGMSSA-N 1 2 432.572 -0.487 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1C ZINC000548459308 1071031515 /nfs/dbraw/zinc/03/15/15/1071031515.db2.gz UWKNSSKYMZSCLS-AWEZNQCLSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1C ZINC000548459308 1071031507 /nfs/dbraw/zinc/03/15/07/1071031507.db2.gz UWKNSSKYMZSCLS-AWEZNQCLSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1C ZINC000548459309 1071031593 /nfs/dbraw/zinc/03/15/93/1071031593.db2.gz UWKNSSKYMZSCLS-CQSZACIVSA-N 1 2 444.496 -0.221 20 0 IBADLO COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1C ZINC000548459309 1071031583 /nfs/dbraw/zinc/03/15/83/1071031583.db2.gz UWKNSSKYMZSCLS-CQSZACIVSA-N 1 2 444.496 -0.221 20 0 IBADLO COCCOCCOCCS(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000548963227 1071292865 /nfs/dbraw/zinc/29/28/65/1071292865.db2.gz DWZLPDCFTKRRFI-UHFFFAOYSA-N 1 2 428.515 -0.505 20 0 IBADLO COCCN1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC000549360078 1071341546 /nfs/dbraw/zinc/34/15/46/1071341546.db2.gz IBKLQLDTTUISOH-UHFFFAOYSA-N 1 2 431.493 -0.436 20 0 IBADLO CCCC[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000549554698 1071424863 /nfs/dbraw/zinc/42/48/63/1071424863.db2.gz NFNUJNRAJSOLMY-UHFFFAOYSA-N 1 2 426.539 -0.089 20 0 IBADLO CCCC[N@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000549554698 1071424858 /nfs/dbraw/zinc/42/48/58/1071424858.db2.gz NFNUJNRAJSOLMY-UHFFFAOYSA-N 1 2 426.539 -0.089 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000549640014 1071472971 /nfs/dbraw/zinc/47/29/71/1071472971.db2.gz UKMMKWOZBKBVJJ-HNNXBMFYSA-N 1 2 435.554 -0.232 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000549640015 1071473130 /nfs/dbraw/zinc/47/31/30/1071473130.db2.gz UKMMKWOZBKBVJJ-OAHLLOKOSA-N 1 2 435.554 -0.232 20 0 IBADLO COCC(=O)N[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C(C)C ZINC000549703641 1071529244 /nfs/dbraw/zinc/52/92/44/1071529244.db2.gz ZWCHABOQOSWPGV-JXFKEZNVSA-N 1 2 448.568 -0.264 20 0 IBADLO COCC(=O)N[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C(C)C ZINC000549703642 1071529315 /nfs/dbraw/zinc/52/93/15/1071529315.db2.gz ZWCHABOQOSWPGV-UZLBHIALSA-N 1 2 448.568 -0.264 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CC(=O)N(C4CC4)C2)CC3)CC1 ZINC000549703820 1071529363 /nfs/dbraw/zinc/52/93/63/1071529363.db2.gz IWHXCBHVJAXRIS-CVEARBPZSA-N 1 2 428.537 -0.040 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CC(=O)N(C4CC4)C2)CC3)CC1 ZINC000549703821 1071529574 /nfs/dbraw/zinc/52/95/74/1071529574.db2.gz IWHXCBHVJAXRIS-HOTGVXAUSA-N 1 2 428.537 -0.040 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CC(=O)N(C4CC4)C2)CC3)CC1 ZINC000549703822 1071529531 /nfs/dbraw/zinc/52/95/31/1071529531.db2.gz IWHXCBHVJAXRIS-HZPDHXFCSA-N 1 2 428.537 -0.040 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C4CC4)C2)CC3)CC1 ZINC000549703823 1071529670 /nfs/dbraw/zinc/52/96/70/1071529670.db2.gz IWHXCBHVJAXRIS-JKSUJKDBSA-N 1 2 428.537 -0.040 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)CC3)CC1 ZINC000549705114 1071529646 /nfs/dbraw/zinc/52/96/46/1071529646.db2.gz UZAOWYXRRULXPU-AWEZNQCLSA-N 1 2 425.493 -0.243 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)CC3)CC1 ZINC000549705115 1071529512 /nfs/dbraw/zinc/52/95/12/1071529512.db2.gz UZAOWYXRRULXPU-CQSZACIVSA-N 1 2 425.493 -0.243 20 0 IBADLO Cn1nnc2c1nccc2C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549756300 1071535715 /nfs/dbraw/zinc/53/57/15/1071535715.db2.gz JEJNNNNLFRRFGE-AWEZNQCLSA-N 1 2 437.508 -0.060 20 0 IBADLO Cn1nnc2c1nccc2C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549756301 1071535632 /nfs/dbraw/zinc/53/56/32/1071535632.db2.gz JEJNNNNLFRRFGE-CQSZACIVSA-N 1 2 437.508 -0.060 20 0 IBADLO CN(C)c1nc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc(=O)[nH]1 ZINC000549756370 1071535775 /nfs/dbraw/zinc/53/57/75/1071535775.db2.gz LRYLSUUHLXBODD-AWEZNQCLSA-N 1 2 442.524 -0.175 20 0 IBADLO CN(C)c1nc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc(=O)[nH]1 ZINC000549756371 1071535864 /nfs/dbraw/zinc/53/58/64/1071535864.db2.gz LRYLSUUHLXBODD-CQSZACIVSA-N 1 2 442.524 -0.175 20 0 IBADLO CS(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000549780463 1071538042 /nfs/dbraw/zinc/53/80/42/1071538042.db2.gz UMDUPBNZMOUJTB-KRWDZBQOSA-N 1 2 427.523 -0.524 20 0 IBADLO CS(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000549780464 1071538221 /nfs/dbraw/zinc/53/82/21/1071538221.db2.gz UMDUPBNZMOUJTB-QGZVFWFLSA-N 1 2 427.523 -0.524 20 0 IBADLO CN(Cc1ccncc1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549787057 1071539745 /nfs/dbraw/zinc/53/97/45/1071539745.db2.gz WCXOASJRXFIMDR-UHFFFAOYSA-N 1 2 446.533 -0.297 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549812754 1071542513 /nfs/dbraw/zinc/54/25/13/1071542513.db2.gz XJLWIIMVNKREFR-INIZCTEOSA-N 1 2 449.537 -0.949 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549812757 1071542782 /nfs/dbraw/zinc/54/27/82/1071542782.db2.gz XJLWIIMVNKREFR-MRXNPFEDSA-N 1 2 449.537 -0.949 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000549892951 1071587761 /nfs/dbraw/zinc/58/77/61/1071587761.db2.gz AEVJJCZLKFMFHM-UHFFFAOYSA-N 1 2 445.505 -0.201 20 0 IBADLO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000549928752 1071603380 /nfs/dbraw/zinc/60/33/80/1071603380.db2.gz YRDFQADMKOPKLS-BRWVUGGUSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000549928753 1071603416 /nfs/dbraw/zinc/60/34/16/1071603416.db2.gz YRDFQADMKOPKLS-IKGGRYGDSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000549928754 1071603421 /nfs/dbraw/zinc/60/34/21/1071603421.db2.gz YRDFQADMKOPKLS-IXDOHACOSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000549928755 1071603345 /nfs/dbraw/zinc/60/33/45/1071603345.db2.gz YRDFQADMKOPKLS-ZACQAIPSSA-N 1 2 429.587 -0.436 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccc1 ZINC000549942365 1071643134 /nfs/dbraw/zinc/64/31/34/1071643134.db2.gz UQVWPAZQKWSOSZ-UHFFFAOYSA-N 1 2 431.518 -0.034 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC000549960810 1071718522 /nfs/dbraw/zinc/71/85/22/1071718522.db2.gz YSYMCRZXAJLZAE-FQEVSTJZSA-N 1 2 434.537 -0.025 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC000549960811 1071718560 /nfs/dbraw/zinc/71/85/60/1071718560.db2.gz YSYMCRZXAJLZAE-HXUWFJFHSA-N 1 2 434.537 -0.025 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549992467 1071971201 /nfs/dbraw/zinc/97/12/01/1071971201.db2.gz AOOOESINRDXCAE-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549992467 1071971196 /nfs/dbraw/zinc/97/11/96/1071971196.db2.gz AOOOESINRDXCAE-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549992468 1071971137 /nfs/dbraw/zinc/97/11/37/1071971137.db2.gz AOOOESINRDXCAE-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549992468 1071971132 /nfs/dbraw/zinc/97/11/32/1071971132.db2.gz AOOOESINRDXCAE-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996317 1071991622 /nfs/dbraw/zinc/99/16/22/1071991622.db2.gz RFAHZLFPYVUXKI-MSOLQXFVSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996317 1071991613 /nfs/dbraw/zinc/99/16/13/1071991613.db2.gz RFAHZLFPYVUXKI-MSOLQXFVSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996318 1071991740 /nfs/dbraw/zinc/99/17/40/1071991740.db2.gz RFAHZLFPYVUXKI-QZTJIDSGSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996318 1071991730 /nfs/dbraw/zinc/99/17/30/1071991730.db2.gz RFAHZLFPYVUXKI-QZTJIDSGSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996319 1071991792 /nfs/dbraw/zinc/99/17/92/1071991792.db2.gz RFAHZLFPYVUXKI-ROUUACIJSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996319 1071991787 /nfs/dbraw/zinc/99/17/87/1071991787.db2.gz RFAHZLFPYVUXKI-ROUUACIJSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996320 1071991680 /nfs/dbraw/zinc/99/16/80/1071991680.db2.gz RFAHZLFPYVUXKI-ZWKOTPCHSA-N 1 2 442.520 -0.127 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000549996320 1071991674 /nfs/dbraw/zinc/99/16/74/1071991674.db2.gz RFAHZLFPYVUXKI-ZWKOTPCHSA-N 1 2 442.520 -0.127 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000550000412 1072002796 /nfs/dbraw/zinc/00/27/96/1072002796.db2.gz GXFVOPUADLBCOR-GOSISDBHSA-N 1 2 438.550 -0.503 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000550000412 1072002785 /nfs/dbraw/zinc/00/27/85/1072002785.db2.gz GXFVOPUADLBCOR-GOSISDBHSA-N 1 2 438.550 -0.503 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000550000413 1072003431 /nfs/dbraw/zinc/00/34/31/1072003431.db2.gz GXFVOPUADLBCOR-SFHVURJKSA-N 1 2 438.550 -0.503 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000550000413 1072003421 /nfs/dbraw/zinc/00/34/21/1072003421.db2.gz GXFVOPUADLBCOR-SFHVURJKSA-N 1 2 438.550 -0.503 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000550003184 1072015071 /nfs/dbraw/zinc/01/50/71/1072015071.db2.gz WKKNJBNOGMGGPP-IBGZPJMESA-N 1 2 432.521 -0.289 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000550003184 1072015060 /nfs/dbraw/zinc/01/50/60/1072015060.db2.gz WKKNJBNOGMGGPP-IBGZPJMESA-N 1 2 432.521 -0.289 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000550003185 1072014971 /nfs/dbraw/zinc/01/49/71/1072014971.db2.gz WKKNJBNOGMGGPP-LJQANCHMSA-N 1 2 432.521 -0.289 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000550003185 1072014954 /nfs/dbraw/zinc/01/49/54/1072014954.db2.gz WKKNJBNOGMGGPP-LJQANCHMSA-N 1 2 432.521 -0.289 20 0 IBADLO CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003649 1072014422 /nfs/dbraw/zinc/01/44/22/1072014422.db2.gz QPFLQMYZWWYQJI-MOPGFXCFSA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003649 1072014413 /nfs/dbraw/zinc/01/44/13/1072014413.db2.gz QPFLQMYZWWYQJI-MOPGFXCFSA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003651 1072014273 /nfs/dbraw/zinc/01/42/73/1072014273.db2.gz QPFLQMYZWWYQJI-OALUTQOASA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003651 1072014268 /nfs/dbraw/zinc/01/42/68/1072014268.db2.gz QPFLQMYZWWYQJI-OALUTQOASA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003652 1072014361 /nfs/dbraw/zinc/01/43/61/1072014361.db2.gz QPFLQMYZWWYQJI-RBUKOAKNSA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003652 1072014352 /nfs/dbraw/zinc/01/43/52/1072014352.db2.gz QPFLQMYZWWYQJI-RBUKOAKNSA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003653 1072014334 /nfs/dbraw/zinc/01/43/34/1072014334.db2.gz QPFLQMYZWWYQJI-RTBURBONSA-N 1 2 432.521 -0.243 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCOCC1 ZINC000550003653 1072014322 /nfs/dbraw/zinc/01/43/22/1072014322.db2.gz QPFLQMYZWWYQJI-RTBURBONSA-N 1 2 432.521 -0.243 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc[nH+]1 ZINC000550050795 1072146545 /nfs/dbraw/zinc/14/65/45/1072146545.db2.gz FYIAQBFEPPJZNL-UHFFFAOYSA-N 1 2 443.508 -0.195 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000550061690 1072146900 /nfs/dbraw/zinc/14/69/00/1072146900.db2.gz YKFHDCFTZJDRFO-UHFFFAOYSA-N 1 2 437.541 -0.074 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000550061690 1072146894 /nfs/dbraw/zinc/14/68/94/1072146894.db2.gz YKFHDCFTZJDRFO-UHFFFAOYSA-N 1 2 437.541 -0.074 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000550084732 1072148218 /nfs/dbraw/zinc/14/82/18/1072148218.db2.gz AEUXFKKXVFTYCL-UHFFFAOYSA-N 1 2 431.537 -0.585 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550085375 1072149319 /nfs/dbraw/zinc/14/93/19/1072149319.db2.gz HZLYWSIBGCVDQG-GOSISDBHSA-N 1 2 438.550 -0.325 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550086270 1072149847 /nfs/dbraw/zinc/14/98/47/1072149847.db2.gz OJOQNBVWMMDEBK-UHFFFAOYSA-N 1 2 440.566 -0.077 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccccc3C[NH+]3CCOCC3)C2=O)cn1 ZINC000550087895 1072149825 /nfs/dbraw/zinc/14/98/25/1072149825.db2.gz WDRPOYSRRMKTPF-IBGZPJMESA-N 1 2 440.504 -0.210 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccccc3C[NH+]3CCOCC3)C2=O)cn1 ZINC000550087906 1072149206 /nfs/dbraw/zinc/14/92/06/1072149206.db2.gz WDRPOYSRRMKTPF-LJQANCHMSA-N 1 2 440.504 -0.210 20 0 IBADLO Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(=O)NCCn4cc[nH+]c4)CC3)C2=O)n(C)n1 ZINC000550089138 1072149882 /nfs/dbraw/zinc/14/98/82/1072149882.db2.gz XKKQSTSYZSUWCR-KRWDZBQOSA-N 1 2 442.524 -0.619 20 0 IBADLO Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(=O)NCCn4cc[nH+]c4)CC3)C2=O)n(C)n1 ZINC000550089142 1072149819 /nfs/dbraw/zinc/14/98/19/1072149819.db2.gz XKKQSTSYZSUWCR-QGZVFWFLSA-N 1 2 442.524 -0.619 20 0 IBADLO Cn1nnnc1SCCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000550090603 1072150451 /nfs/dbraw/zinc/15/04/51/1072150451.db2.gz VLBNHSWSUQUORI-AWEZNQCLSA-N 1 2 447.569 -0.345 20 0 IBADLO Cn1nnnc1SCCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000550090604 1072150300 /nfs/dbraw/zinc/15/03/00/1072150300.db2.gz VLBNHSWSUQUORI-CQSZACIVSA-N 1 2 447.569 -0.345 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000550090839 1072149780 /nfs/dbraw/zinc/14/97/80/1072149780.db2.gz XVOYAWCPQNPURX-HNNXBMFYSA-N 1 2 440.570 -0.769 20 0 IBADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000550090840 1072149801 /nfs/dbraw/zinc/14/98/01/1072149801.db2.gz XVOYAWCPQNPURX-OAHLLOKOSA-N 1 2 440.570 -0.769 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNC(=O)c2ccco2)CC3)CC1 ZINC000550094385 1072151386 /nfs/dbraw/zinc/15/13/86/1072151386.db2.gz NCBQCDZRVMOXQR-HNNXBMFYSA-N 1 2 428.493 -0.028 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNC(=O)c2ccco2)CC3)CC1 ZINC000550094387 1072151380 /nfs/dbraw/zinc/15/13/80/1072151380.db2.gz NCBQCDZRVMOXQR-OAHLLOKOSA-N 1 2 428.493 -0.028 20 0 IBADLO COC(=O)c1cnc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC000550098622 1072152291 /nfs/dbraw/zinc/15/22/91/1072152291.db2.gz YAVSQVPEOZMEOH-AWEZNQCLSA-N 1 2 441.492 -0.160 20 0 IBADLO COC(=O)c1cnc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC000550098623 1072152352 /nfs/dbraw/zinc/15/23/52/1072152352.db2.gz YAVSQVPEOZMEOH-CQSZACIVSA-N 1 2 441.492 -0.160 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550107164 1072154306 /nfs/dbraw/zinc/15/43/06/1072154306.db2.gz CJDOMXPYIUNNIZ-GOSISDBHSA-N 1 2 438.550 -0.325 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550107165 1072154264 /nfs/dbraw/zinc/15/42/64/1072154264.db2.gz CJDOMXPYIUNNIZ-SFHVURJKSA-N 1 2 438.550 -0.325 20 0 IBADLO CC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000550108809 1072153867 /nfs/dbraw/zinc/15/38/67/1072153867.db2.gz LPIMQMQSONGALF-IBGZPJMESA-N 1 2 432.521 -0.111 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000550108811 1072153822 /nfs/dbraw/zinc/15/38/22/1072153822.db2.gz LPIMQMQSONGALF-LJQANCHMSA-N 1 2 432.521 -0.111 20 0 IBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000550109606 1072153764 /nfs/dbraw/zinc/15/37/64/1072153764.db2.gz SSKMZFXXXUYBCI-FQEVSTJZSA-N 1 2 444.532 -0.015 20 0 IBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000550109607 1072153805 /nfs/dbraw/zinc/15/38/05/1072153805.db2.gz SSKMZFXXXUYBCI-HXUWFJFHSA-N 1 2 444.532 -0.015 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000550110550 1072155512 /nfs/dbraw/zinc/15/55/12/1072155512.db2.gz OKZHDHXKLQERGY-UHFFFAOYSA-N 1 2 438.550 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC[C@H](CO)C1 ZINC000550185199 1072160771 /nfs/dbraw/zinc/16/07/71/1072160771.db2.gz NHJJTJCQSABIQX-DLBZAZTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC[C@H](CO)C1 ZINC000550185199 1072160769 /nfs/dbraw/zinc/16/07/69/1072160769.db2.gz NHJJTJCQSABIQX-DLBZAZTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC[C@@H](CO)C1 ZINC000550185200 1072160775 /nfs/dbraw/zinc/16/07/75/1072160775.db2.gz NHJJTJCQSABIQX-IAGOWNOFSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC[C@@H](CO)C1 ZINC000550185200 1072160774 /nfs/dbraw/zinc/16/07/74/1072160774.db2.gz NHJJTJCQSABIQX-IAGOWNOFSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC[C@H](CO)C1 ZINC000550185202 1072160823 /nfs/dbraw/zinc/16/08/23/1072160823.db2.gz NHJJTJCQSABIQX-IRXDYDNUSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC[C@H](CO)C1 ZINC000550185202 1072160821 /nfs/dbraw/zinc/16/08/21/1072160821.db2.gz NHJJTJCQSABIQX-IRXDYDNUSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC[C@@H](CO)C1 ZINC000550185205 1072160792 /nfs/dbraw/zinc/16/07/92/1072160792.db2.gz NHJJTJCQSABIQX-SJORKVTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC[C@@H](CO)C1 ZINC000550185205 1072160789 /nfs/dbraw/zinc/16/07/89/1072160789.db2.gz NHJJTJCQSABIQX-SJORKVTESA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(NCCc1ccccn1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550185563 1072160758 /nfs/dbraw/zinc/16/07/58/1072160758.db2.gz VCHLNMLOBWZOOZ-UHFFFAOYSA-N 1 2 446.533 -0.597 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550185565 1072160743 /nfs/dbraw/zinc/16/07/43/1072160743.db2.gz XACIFYHUAMLIKN-KRWDZBQOSA-N 1 2 442.524 -0.210 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550185565 1072160739 /nfs/dbraw/zinc/16/07/39/1072160739.db2.gz XACIFYHUAMLIKN-KRWDZBQOSA-N 1 2 442.524 -0.210 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550185572 1072160815 /nfs/dbraw/zinc/16/08/15/1072160815.db2.gz XACIFYHUAMLIKN-QGZVFWFLSA-N 1 2 442.524 -0.210 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550185572 1072160813 /nfs/dbraw/zinc/16/08/13/1072160813.db2.gz XACIFYHUAMLIKN-QGZVFWFLSA-N 1 2 442.524 -0.210 20 0 IBADLO COCCn1nnc2c1CCN(CC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)C2 ZINC000550188932 1072160779 /nfs/dbraw/zinc/16/07/79/1072160779.db2.gz HVQJIMUVBFMAED-UHFFFAOYSA-N 1 2 440.512 -0.692 20 0 IBADLO CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550212943 1072163946 /nfs/dbraw/zinc/16/39/46/1072163946.db2.gz FHHGQJKAZDMPCD-UHFFFAOYSA-N 1 2 437.566 -0.329 20 0 IBADLO C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550214032 1072163842 /nfs/dbraw/zinc/16/38/42/1072163842.db2.gz YYVHXACPRMQZGA-KRWDZBQOSA-N 1 2 437.566 -0.158 20 0 IBADLO C[C@H](c1ccccc1)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550214033 1072163863 /nfs/dbraw/zinc/16/38/63/1072163863.db2.gz YYVHXACPRMQZGA-QGZVFWFLSA-N 1 2 437.566 -0.158 20 0 IBADLO CCCC[C@H](CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550231262 1072165864 /nfs/dbraw/zinc/16/58/64/1072165864.db2.gz QQKONLZYSQEOGT-KRWDZBQOSA-N 1 2 431.603 -0.045 20 0 IBADLO CCCC[C@@H](CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550231271 1072165825 /nfs/dbraw/zinc/16/58/25/1072165825.db2.gz QQKONLZYSQEOGT-QGZVFWFLSA-N 1 2 431.603 -0.045 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000550243502 1072167001 /nfs/dbraw/zinc/16/70/01/1072167001.db2.gz KIRHDKOTBVODHL-CRAIPNDOSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000550243503 1072166954 /nfs/dbraw/zinc/16/69/54/1072166954.db2.gz KIRHDKOTBVODHL-MAUKXSAKSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000550243504 1072166975 /nfs/dbraw/zinc/16/69/75/1072166975.db2.gz KIRHDKOTBVODHL-QAPCUYQASA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000550243505 1072167118 /nfs/dbraw/zinc/16/71/18/1072167118.db2.gz KIRHDKOTBVODHL-YJBOKZPZSA-N 1 2 433.484 -0.084 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000550249684 1072167585 /nfs/dbraw/zinc/16/75/85/1072167585.db2.gz CHOHJSBJANAJKI-GOSISDBHSA-N 1 2 444.536 -0.033 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000550249684 1072167578 /nfs/dbraw/zinc/16/75/78/1072167578.db2.gz CHOHJSBJANAJKI-GOSISDBHSA-N 1 2 444.536 -0.033 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000550249685 1072167705 /nfs/dbraw/zinc/16/77/05/1072167705.db2.gz CHOHJSBJANAJKI-SFHVURJKSA-N 1 2 444.536 -0.033 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000550249685 1072167701 /nfs/dbraw/zinc/16/77/01/1072167701.db2.gz CHOHJSBJANAJKI-SFHVURJKSA-N 1 2 444.536 -0.033 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CC1 ZINC000550254174 1072167638 /nfs/dbraw/zinc/16/76/38/1072167638.db2.gz ARCLPEJOBHOHQI-UHFFFAOYSA-N 1 2 440.566 -0.079 20 0 IBADLO O=C(NCCCN1CCCC1=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550276733 1072170216 /nfs/dbraw/zinc/17/02/16/1072170216.db2.gz ODNDNWUCEBASCS-UHFFFAOYSA-N 1 2 445.524 -0.910 20 0 IBADLO O=C(NCCCN1CCCC1=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550276733 1072170211 /nfs/dbraw/zinc/17/02/11/1072170211.db2.gz ODNDNWUCEBASCS-UHFFFAOYSA-N 1 2 445.524 -0.910 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[NH+]1CCOCC1 ZINC000550276884 1072169642 /nfs/dbraw/zinc/16/96/42/1072169642.db2.gz JPEWPWLIQBFJJB-KRWDZBQOSA-N 1 2 444.540 -0.515 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[NH+]1CCOCC1 ZINC000550276885 1072169617 /nfs/dbraw/zinc/16/96/17/1072169617.db2.gz JPEWPWLIQBFJJB-QGZVFWFLSA-N 1 2 444.540 -0.515 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000550277451 1072172979 /nfs/dbraw/zinc/17/29/79/1072172979.db2.gz NDDCAGAYCCLNBU-DLBZAZTESA-N 1 2 430.571 -0.514 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000550277452 1072172897 /nfs/dbraw/zinc/17/28/97/1072172897.db2.gz NDDCAGAYCCLNBU-IAGOWNOFSA-N 1 2 430.571 -0.514 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000550277453 1072172839 /nfs/dbraw/zinc/17/28/39/1072172839.db2.gz NDDCAGAYCCLNBU-IRXDYDNUSA-N 1 2 430.571 -0.514 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000550277454 1072173001 /nfs/dbraw/zinc/17/30/01/1072173001.db2.gz NDDCAGAYCCLNBU-SJORKVTESA-N 1 2 430.571 -0.514 20 0 IBADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000550277680 1072171618 /nfs/dbraw/zinc/17/16/18/1072171618.db2.gz VEZNGMPMMBNOAY-UHFFFAOYSA-N 1 2 442.520 -0.363 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550278211 1072170382 /nfs/dbraw/zinc/17/03/82/1072170382.db2.gz ZCZJUESIYYVQEA-KSZLIROESA-N 1 2 426.558 -0.151 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550278221 1072170398 /nfs/dbraw/zinc/17/03/98/1072170398.db2.gz ZCZJUESIYYVQEA-KURKYZTESA-N 1 2 426.558 -0.151 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550278223 1072170325 /nfs/dbraw/zinc/17/03/25/1072170325.db2.gz ZCZJUESIYYVQEA-KZNAEPCWSA-N 1 2 426.558 -0.151 20 0 IBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550278225 1072170354 /nfs/dbraw/zinc/17/03/54/1072170354.db2.gz ZCZJUESIYYVQEA-RCCFBDPRSA-N 1 2 426.558 -0.151 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000550278763 1072175493 /nfs/dbraw/zinc/17/54/93/1072175493.db2.gz LZDFTHXCDFWPBG-FQEVSTJZSA-N 1 2 445.564 -0.076 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000550278764 1072175530 /nfs/dbraw/zinc/17/55/30/1072175530.db2.gz LZDFTHXCDFWPBG-HXUWFJFHSA-N 1 2 445.564 -0.076 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000550278951 1072175582 /nfs/dbraw/zinc/17/55/82/1072175582.db2.gz UDWYTIKDZZBGEZ-DLBZAZTESA-N 1 2 432.587 -0.220 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000550278952 1072175389 /nfs/dbraw/zinc/17/53/89/1072175389.db2.gz UDWYTIKDZZBGEZ-IAGOWNOFSA-N 1 2 432.587 -0.220 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000550278953 1072175610 /nfs/dbraw/zinc/17/56/10/1072175610.db2.gz UDWYTIKDZZBGEZ-IRXDYDNUSA-N 1 2 432.587 -0.220 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000550278954 1072176233 /nfs/dbraw/zinc/17/62/33/1072176233.db2.gz UDWYTIKDZZBGEZ-SJORKVTESA-N 1 2 432.587 -0.220 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000550280452 1072187434 /nfs/dbraw/zinc/18/74/34/1072187434.db2.gz AVHFSUAMEVQWLI-UHFFFAOYSA-N 1 2 449.533 -0.132 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccn1 ZINC000550301451 1072225916 /nfs/dbraw/zinc/22/59/16/1072225916.db2.gz GFTSQYLKIUFNAW-UHFFFAOYSA-N 1 2 432.506 -0.639 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000550313888 1072240224 /nfs/dbraw/zinc/24/02/24/1072240224.db2.gz DLFYCWYBMUDDNX-UHFFFAOYSA-N 1 2 445.520 -0.477 20 0 IBADLO CC(C)CCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550316478 1072243753 /nfs/dbraw/zinc/24/37/53/1072243753.db2.gz YQSZGCDDJOFZIV-KRWDZBQOSA-N 1 2 431.603 -0.046 20 0 IBADLO CC(C)CCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550316480 1072243175 /nfs/dbraw/zinc/24/31/75/1072243175.db2.gz YQSZGCDDJOFZIV-QGZVFWFLSA-N 1 2 431.603 -0.046 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000550318217 1072244639 /nfs/dbraw/zinc/24/46/39/1072244639.db2.gz UTOXHIYDJDXELA-KRWDZBQOSA-N 1 2 431.493 -0.821 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000550318218 1072244591 /nfs/dbraw/zinc/24/45/91/1072244591.db2.gz UTOXHIYDJDXELA-QGZVFWFLSA-N 1 2 431.493 -0.821 20 0 IBADLO CC(C)Nc1nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(NCCO)[nH+]1 ZINC000550337123 1072274603 /nfs/dbraw/zinc/27/46/03/1072274603.db2.gz ARVMYNYXPOGKBZ-UHFFFAOYSA-N 1 2 429.481 -0.369 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000550346061 1072276687 /nfs/dbraw/zinc/27/66/87/1072276687.db2.gz RDRBLLRVVWVKSW-UHFFFAOYSA-N 1 2 432.506 -0.472 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000550356215 1072277601 /nfs/dbraw/zinc/27/76/01/1072277601.db2.gz LAHJRVLYQKNFQJ-GOSISDBHSA-N 1 2 425.574 -0.528 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000550356216 1072277684 /nfs/dbraw/zinc/27/76/84/1072277684.db2.gz LAHJRVLYQKNFQJ-SFHVURJKSA-N 1 2 425.574 -0.528 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCOCC1 ZINC000550356645 1072278156 /nfs/dbraw/zinc/27/81/56/1072278156.db2.gz RMYLFOAMGQWBDX-DLBZAZTESA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCOCC1 ZINC000550356732 1072278172 /nfs/dbraw/zinc/27/81/72/1072278172.db2.gz RMYLFOAMGQWBDX-IAGOWNOFSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCOCC1 ZINC000550356734 1072278130 /nfs/dbraw/zinc/27/81/30/1072278130.db2.gz RMYLFOAMGQWBDX-IRXDYDNUSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCOCC1 ZINC000550356736 1072278114 /nfs/dbraw/zinc/27/81/14/1072278114.db2.gz RMYLFOAMGQWBDX-SJORKVTESA-N 1 2 434.541 -0.105 20 0 IBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550357342 1072278047 /nfs/dbraw/zinc/27/80/47/1072278047.db2.gz BVKUAZPEHIBBQL-KRWDZBQOSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550357343 1072278060 /nfs/dbraw/zinc/27/80/60/1072278060.db2.gz BVKUAZPEHIBBQL-QGZVFWFLSA-N 1 2 426.558 -0.055 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000550357474 1072278274 /nfs/dbraw/zinc/27/82/74/1072278274.db2.gz CIMAQUDQVZNZJL-MSOLQXFVSA-N 1 2 448.568 -0.272 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000550357475 1072278644 /nfs/dbraw/zinc/27/86/44/1072278644.db2.gz CIMAQUDQVZNZJL-QZTJIDSGSA-N 1 2 448.568 -0.272 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000550357476 1072278622 /nfs/dbraw/zinc/27/86/22/1072278622.db2.gz CIMAQUDQVZNZJL-ROUUACIJSA-N 1 2 448.568 -0.272 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000550357477 1072278751 /nfs/dbraw/zinc/27/87/51/1072278751.db2.gz CIMAQUDQVZNZJL-ZWKOTPCHSA-N 1 2 448.568 -0.272 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCOCC1 ZINC000550357952 1072278009 /nfs/dbraw/zinc/27/80/09/1072278009.db2.gz RGGMAVLDJODMCN-MSOLQXFVSA-N 1 2 447.584 -0.045 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCOCC1 ZINC000550357953 1072278201 /nfs/dbraw/zinc/27/82/01/1072278201.db2.gz RGGMAVLDJODMCN-QZTJIDSGSA-N 1 2 447.584 -0.045 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCOCC1 ZINC000550357954 1072278241 /nfs/dbraw/zinc/27/82/41/1072278241.db2.gz RGGMAVLDJODMCN-ROUUACIJSA-N 1 2 447.584 -0.045 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCOCC1 ZINC000550357955 1073357500 /nfs/dbraw/zinc/35/75/00/1073357500.db2.gz RGGMAVLDJODMCN-ZWKOTPCHSA-N 1 2 447.584 -0.045 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCOCC1 ZINC000550357993 1072278220 /nfs/dbraw/zinc/27/82/20/1072278220.db2.gz UPFGETAFPGDXNU-GOSISDBHSA-N 1 2 425.574 -0.482 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCOCC1 ZINC000550357994 1072278099 /nfs/dbraw/zinc/27/80/99/1072278099.db2.gz UPFGETAFPGDXNU-SFHVURJKSA-N 1 2 425.574 -0.482 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550358415 1072278654 /nfs/dbraw/zinc/27/86/54/1072278654.db2.gz SPCQGBGZAYTQCQ-MOPGFXCFSA-N 1 2 439.601 -0.092 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550358419 1072278580 /nfs/dbraw/zinc/27/85/80/1072278580.db2.gz SPCQGBGZAYTQCQ-OALUTQOASA-N 1 2 439.601 -0.092 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550358421 1072278615 /nfs/dbraw/zinc/27/86/15/1072278615.db2.gz SPCQGBGZAYTQCQ-RBUKOAKNSA-N 1 2 439.601 -0.092 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550358423 1072278557 /nfs/dbraw/zinc/27/85/57/1072278557.db2.gz SPCQGBGZAYTQCQ-RTBURBONSA-N 1 2 439.601 -0.092 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+]1CCOCC1 ZINC000550358481 1072278590 /nfs/dbraw/zinc/27/85/90/1072278590.db2.gz BAFRVMCCNBNOFF-HRAATJIYSA-N 1 2 437.541 -0.314 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+]1CCOCC1 ZINC000550358482 1072278711 /nfs/dbraw/zinc/27/87/11/1072278711.db2.gz BAFRVMCCNBNOFF-IERDGZPVSA-N 1 2 437.541 -0.314 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+]1CCOCC1 ZINC000550358483 1072278785 /nfs/dbraw/zinc/27/87/85/1072278785.db2.gz BAFRVMCCNBNOFF-IIBYNOLFSA-N 1 2 437.541 -0.314 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+]1CCOCC1 ZINC000550358484 1072278603 /nfs/dbraw/zinc/27/86/03/1072278603.db2.gz BAFRVMCCNBNOFF-KKSFZXQISA-N 1 2 437.541 -0.314 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)c1=O ZINC000550359170 1072278571 /nfs/dbraw/zinc/27/85/71/1072278571.db2.gz IZNPVYWZZIRNGE-UHFFFAOYSA-N 1 2 425.493 -0.260 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)CCO1 ZINC000550362065 1072279085 /nfs/dbraw/zinc/27/90/85/1072279085.db2.gz MRJAHQQVJJJPNE-GOSISDBHSA-N 1 2 442.520 -0.765 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)CCO1 ZINC000550362065 1072279080 /nfs/dbraw/zinc/27/90/80/1072279080.db2.gz MRJAHQQVJJJPNE-GOSISDBHSA-N 1 2 442.520 -0.765 20 0 IBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)CCO1 ZINC000550362079 1072279107 /nfs/dbraw/zinc/27/91/07/1072279107.db2.gz MRJAHQQVJJJPNE-SFHVURJKSA-N 1 2 442.520 -0.765 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)CCO1 ZINC000550362079 1072279102 /nfs/dbraw/zinc/27/91/02/1072279102.db2.gz MRJAHQQVJJJPNE-SFHVURJKSA-N 1 2 442.520 -0.765 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376135 1072280990 /nfs/dbraw/zinc/28/09/90/1072280990.db2.gz HRWOWAIPGOHIMH-MOPGFXCFSA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376135 1072280974 /nfs/dbraw/zinc/28/09/74/1072280974.db2.gz HRWOWAIPGOHIMH-MOPGFXCFSA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376136 1072280855 /nfs/dbraw/zinc/28/08/55/1072280855.db2.gz HRWOWAIPGOHIMH-OALUTQOASA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376136 1072280843 /nfs/dbraw/zinc/28/08/43/1072280843.db2.gz HRWOWAIPGOHIMH-OALUTQOASA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376137 1072281121 /nfs/dbraw/zinc/28/11/21/1072281121.db2.gz HRWOWAIPGOHIMH-RBUKOAKNSA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376137 1072281117 /nfs/dbraw/zinc/28/11/17/1072281117.db2.gz HRWOWAIPGOHIMH-RBUKOAKNSA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376138 1072281103 /nfs/dbraw/zinc/28/11/03/1072281103.db2.gz HRWOWAIPGOHIMH-RTBURBONSA-N 1 2 440.504 -0.341 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000550376138 1072281097 /nfs/dbraw/zinc/28/10/97/1072281097.db2.gz HRWOWAIPGOHIMH-RTBURBONSA-N 1 2 440.504 -0.341 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000550378598 1072281768 /nfs/dbraw/zinc/28/17/68/1072281768.db2.gz SSEWHLNKSIKWHC-IBGZPJMESA-N 1 2 432.521 -0.243 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000550378598 1072281763 /nfs/dbraw/zinc/28/17/63/1072281763.db2.gz SSEWHLNKSIKWHC-IBGZPJMESA-N 1 2 432.521 -0.243 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000550378599 1072281548 /nfs/dbraw/zinc/28/15/48/1072281548.db2.gz SSEWHLNKSIKWHC-LJQANCHMSA-N 1 2 432.521 -0.243 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000550378599 1072281537 /nfs/dbraw/zinc/28/15/37/1072281537.db2.gz SSEWHLNKSIKWHC-LJQANCHMSA-N 1 2 432.521 -0.243 20 0 IBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550379531 1072281660 /nfs/dbraw/zinc/28/16/60/1072281660.db2.gz SGBBELJIQLFEOP-IBGZPJMESA-N 1 2 425.489 -0.055 20 0 IBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550379531 1072281651 /nfs/dbraw/zinc/28/16/51/1072281651.db2.gz SGBBELJIQLFEOP-IBGZPJMESA-N 1 2 425.489 -0.055 20 0 IBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550379532 1072281723 /nfs/dbraw/zinc/28/17/23/1072281723.db2.gz SGBBELJIQLFEOP-LJQANCHMSA-N 1 2 425.489 -0.055 20 0 IBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550379532 1072281718 /nfs/dbraw/zinc/28/17/18/1072281718.db2.gz SGBBELJIQLFEOP-LJQANCHMSA-N 1 2 425.489 -0.055 20 0 IBADLO CCN(CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550382615 1072283421 /nfs/dbraw/zinc/28/34/21/1072283421.db2.gz QHJXUNFOGFIZEK-GOSISDBHSA-N 1 2 440.566 -0.209 20 0 IBADLO CCN(CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550382615 1072283414 /nfs/dbraw/zinc/28/34/14/1072283414.db2.gz QHJXUNFOGFIZEK-GOSISDBHSA-N 1 2 440.566 -0.209 20 0 IBADLO CCN(CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550382616 1072283572 /nfs/dbraw/zinc/28/35/72/1072283572.db2.gz QHJXUNFOGFIZEK-SFHVURJKSA-N 1 2 440.566 -0.209 20 0 IBADLO CCN(CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550382616 1072283566 /nfs/dbraw/zinc/28/35/66/1072283566.db2.gz QHJXUNFOGFIZEK-SFHVURJKSA-N 1 2 440.566 -0.209 20 0 IBADLO O=C(NCCc1cccnc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550383771 1072283533 /nfs/dbraw/zinc/28/35/33/1072283533.db2.gz SXMPBBLEWMQNFP-UHFFFAOYSA-N 1 2 446.533 -0.597 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000550422380 1072300812 /nfs/dbraw/zinc/30/08/12/1072300812.db2.gz CODDWVHRQXNSPZ-UHFFFAOYSA-N 1 2 437.541 -0.074 20 0 IBADLO O=C(NCCc1ccncc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550424183 1072304452 /nfs/dbraw/zinc/30/44/52/1072304452.db2.gz CLJCYQXGKAIHDA-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO O=C(NCCc1ccncc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550424183 1072304442 /nfs/dbraw/zinc/30/44/42/1072304442.db2.gz CLJCYQXGKAIHDA-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000550445764 1072332966 /nfs/dbraw/zinc/33/29/66/1072332966.db2.gz CVJKRQJYCNTUGJ-UHFFFAOYSA-N 1 2 431.478 -0.591 20 0 IBADLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550447194 1072339474 /nfs/dbraw/zinc/33/94/74/1072339474.db2.gz YEYFBDLYRZZVEP-UHFFFAOYSA-N 1 2 426.543 -0.347 20 0 IBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000550447205 1072339416 /nfs/dbraw/zinc/33/94/16/1072339416.db2.gz YTDDZZLXRQVMKL-UHFFFAOYSA-N 1 2 436.534 -0.370 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000550448713 1072356595 /nfs/dbraw/zinc/35/65/95/1072356595.db2.gz DTKLVQATFDNGCS-UHFFFAOYSA-N 1 2 435.506 -0.522 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550448809 1072354999 /nfs/dbraw/zinc/35/49/99/1072354999.db2.gz DZYCUACUQAPFBP-FQEVSTJZSA-N 1 2 434.537 -0.714 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550448810 1072355209 /nfs/dbraw/zinc/35/52/09/1072355209.db2.gz DZYCUACUQAPFBP-HXUWFJFHSA-N 1 2 434.537 -0.714 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550449414 1072357079 /nfs/dbraw/zinc/35/70/79/1072357079.db2.gz MCKZQLSWKZZFHX-GOSISDBHSA-N 1 2 438.550 -0.325 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550449415 1072357430 /nfs/dbraw/zinc/35/74/30/1072357430.db2.gz MCKZQLSWKZZFHX-SFHVURJKSA-N 1 2 438.550 -0.325 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550470300 1072499110 /nfs/dbraw/zinc/49/91/10/1072499110.db2.gz KLMALTRYMDCDJJ-GOSISDBHSA-N 1 2 438.550 -0.325 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550470301 1072499195 /nfs/dbraw/zinc/49/91/95/1072499195.db2.gz KLMALTRYMDCDJJ-SFHVURJKSA-N 1 2 438.550 -0.325 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2=O)cn1 ZINC000550470311 1072499125 /nfs/dbraw/zinc/49/91/25/1072499125.db2.gz KQBSZDYBSJOSBJ-UHFFFAOYSA-N 1 2 440.504 -0.256 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550479158 1072500809 /nfs/dbraw/zinc/50/08/09/1072500809.db2.gz AJNDATPWWJICQL-UHFFFAOYSA-N 1 2 449.537 -0.947 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550481601 1072502003 /nfs/dbraw/zinc/50/20/03/1072502003.db2.gz SWIDGRFWNNWLTR-KRWDZBQOSA-N 1 2 442.524 -0.199 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550481601 1072501990 /nfs/dbraw/zinc/50/19/90/1072501990.db2.gz SWIDGRFWNNWLTR-KRWDZBQOSA-N 1 2 442.524 -0.199 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550481602 1072501768 /nfs/dbraw/zinc/50/17/68/1072501768.db2.gz SWIDGRFWNNWLTR-QGZVFWFLSA-N 1 2 442.524 -0.199 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550481602 1072501757 /nfs/dbraw/zinc/50/17/57/1072501757.db2.gz SWIDGRFWNNWLTR-QGZVFWFLSA-N 1 2 442.524 -0.199 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000550501189 1072506357 /nfs/dbraw/zinc/50/63/57/1072506357.db2.gz OKYJHGUELJDOSF-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000550501189 1072506348 /nfs/dbraw/zinc/50/63/48/1072506348.db2.gz OKYJHGUELJDOSF-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)[C@H](C)C1 ZINC000550501196 1072506949 /nfs/dbraw/zinc/50/69/49/1072506949.db2.gz OKYJHGUELJDOSF-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)[C@H](C)C1 ZINC000550501196 1072506934 /nfs/dbraw/zinc/50/69/34/1072506934.db2.gz OKYJHGUELJDOSF-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000550501761 1072510470 /nfs/dbraw/zinc/51/04/70/1072510470.db2.gz WEODRPFBDOLXCV-UHFFFAOYSA-N 1 2 438.488 -0.065 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000550505854 1072514070 /nfs/dbraw/zinc/51/40/70/1072514070.db2.gz HNQMZNHIHZWWIV-UHFFFAOYSA-N 1 2 445.520 -0.945 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000550521694 1072518515 /nfs/dbraw/zinc/51/85/15/1072518515.db2.gz AQMUUDBVGAJJTA-LMMKCTJWSA-N 1 2 449.552 -0.537 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000550521695 1072518542 /nfs/dbraw/zinc/51/85/42/1072518542.db2.gz AQMUUDBVGAJJTA-SCTDSRPQSA-N 1 2 449.552 -0.537 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000550521696 1072518645 /nfs/dbraw/zinc/51/86/45/1072518645.db2.gz AQMUUDBVGAJJTA-ZHALLVOQSA-N 1 2 449.552 -0.537 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000550521697 1072518973 /nfs/dbraw/zinc/51/89/73/1072518973.db2.gz AQMUUDBVGAJJTA-ZIFCJYIRSA-N 1 2 449.552 -0.537 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000550527917 1072520142 /nfs/dbraw/zinc/52/01/42/1072520142.db2.gz NHOGGQMFWHSCEZ-AWEZNQCLSA-N 1 2 434.415 -0.210 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000550527918 1072520184 /nfs/dbraw/zinc/52/01/84/1072520184.db2.gz NHOGGQMFWHSCEZ-CQSZACIVSA-N 1 2 434.415 -0.210 20 0 IBADLO O=C(NCCCOCC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550538950 1072522106 /nfs/dbraw/zinc/52/21/06/1072522106.db2.gz NDSRRFFVWMZQRL-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO O=C(NCCCOCC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550538950 1072522098 /nfs/dbraw/zinc/52/20/98/1072522098.db2.gz NDSRRFFVWMZQRL-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550541394 1072522215 /nfs/dbraw/zinc/52/22/15/1072522215.db2.gz OISCLKYYTNRUKF-FQEVSTJZSA-N 1 2 434.537 -0.714 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550541396 1072522193 /nfs/dbraw/zinc/52/21/93/1072522193.db2.gz OISCLKYYTNRUKF-HXUWFJFHSA-N 1 2 434.537 -0.714 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000550546745 1072523100 /nfs/dbraw/zinc/52/31/00/1072523100.db2.gz CWMVFMZJRMHCHL-UHFFFAOYSA-N 1 2 437.566 -0.444 20 0 IBADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000550549443 1072523626 /nfs/dbraw/zinc/52/36/26/1072523626.db2.gz FBYHGZJFJNHFQC-UHFFFAOYSA-N 1 2 438.488 -0.503 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1)[NH+]1CCN(C)CC1 ZINC000550564498 1072525024 /nfs/dbraw/zinc/52/50/24/1072525024.db2.gz KGWUDUQKACZPRV-IBGZPJMESA-N 1 2 432.569 -0.077 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1)[NH+]1CCN(C)CC1 ZINC000550564499 1072524862 /nfs/dbraw/zinc/52/48/62/1072524862.db2.gz KGWUDUQKACZPRV-LJQANCHMSA-N 1 2 432.569 -0.077 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1=O ZINC000550569781 1072525413 /nfs/dbraw/zinc/52/54/13/1072525413.db2.gz LWFJKUGPBPYARQ-UHFFFAOYSA-N 1 2 435.488 -0.010 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000550604170 1073005234 /nfs/dbraw/zinc/00/52/34/1073005234.db2.gz IQTGBAFWHBZCET-CYBMUJFWSA-N 1 2 444.414 -0.484 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000550604171 1073005288 /nfs/dbraw/zinc/00/52/88/1073005288.db2.gz IQTGBAFWHBZCET-ZDUSSCGKSA-N 1 2 444.414 -0.484 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+]1CCOCC1 ZINC000550663264 1073012075 /nfs/dbraw/zinc/01/20/75/1073012075.db2.gz QTCXQVVJNLUNIF-FXAWDEMLSA-N 1 2 428.599 -0.217 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[NH+]1CCOCC1 ZINC000550663269 1073011907 /nfs/dbraw/zinc/01/19/07/1073011907.db2.gz QTCXQVVJNLUNIF-PXNSSMCTSA-N 1 2 428.599 -0.217 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[NH+]1CCOCC1 ZINC000550663271 1073011961 /nfs/dbraw/zinc/01/19/61/1073011961.db2.gz QTCXQVVJNLUNIF-XLIONFOSSA-N 1 2 428.599 -0.217 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+]1CCOCC1 ZINC000550663272 1073012064 /nfs/dbraw/zinc/01/20/64/1073012064.db2.gz QTCXQVVJNLUNIF-YLJYHZDGSA-N 1 2 428.599 -0.217 20 0 IBADLO Cc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000550666859 1073014006 /nfs/dbraw/zinc/01/40/06/1073014006.db2.gz JYFAUYXRBVICTH-LEWJYISDSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000550666860 1073013810 /nfs/dbraw/zinc/01/38/10/1073013810.db2.gz JYFAUYXRBVICTH-NHCUHLMSSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000550666861 1073014077 /nfs/dbraw/zinc/01/40/77/1073014077.db2.gz JYFAUYXRBVICTH-RTWAWAEBSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000550666862 1073013920 /nfs/dbraw/zinc/01/39/20/1073013920.db2.gz JYFAUYXRBVICTH-SFTDATJTSA-N 1 2 448.564 -0.364 20 0 IBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000550691712 1073015388 /nfs/dbraw/zinc/01/53/88/1073015388.db2.gz JYCXHECMHQFLOU-GOSISDBHSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000550691713 1073015442 /nfs/dbraw/zinc/01/54/42/1073015442.db2.gz JYCXHECMHQFLOU-SFHVURJKSA-N 1 2 434.537 -0.149 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000550695957 1073016940 /nfs/dbraw/zinc/01/69/40/1073016940.db2.gz WBNKVPMLWBTUQG-AWEZNQCLSA-N 1 2 440.522 -0.693 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000550695957 1073016932 /nfs/dbraw/zinc/01/69/32/1073016932.db2.gz WBNKVPMLWBTUQG-AWEZNQCLSA-N 1 2 440.522 -0.693 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000550695959 1073016906 /nfs/dbraw/zinc/01/69/06/1073016906.db2.gz WBNKVPMLWBTUQG-CQSZACIVSA-N 1 2 440.522 -0.693 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000550695959 1073016903 /nfs/dbraw/zinc/01/69/03/1073016903.db2.gz WBNKVPMLWBTUQG-CQSZACIVSA-N 1 2 440.522 -0.693 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000550697745 1073017422 /nfs/dbraw/zinc/01/74/22/1073017422.db2.gz RZXYKCCWGNJKQZ-UHFFFAOYSA-N 1 2 432.506 -0.342 20 0 IBADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000550701436 1073016454 /nfs/dbraw/zinc/01/64/54/1073016454.db2.gz NNTMATLOPRAFIJ-UHFFFAOYSA-N 1 2 428.493 -0.753 20 0 IBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1)Nc1ccccc1 ZINC000550708982 1073017835 /nfs/dbraw/zinc/01/78/35/1073017835.db2.gz FBDQSRCUBCCNGW-IBGZPJMESA-N 1 2 429.521 -0.251 20 0 IBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1)Nc1ccccc1 ZINC000550708983 1073017780 /nfs/dbraw/zinc/01/77/80/1073017780.db2.gz FBDQSRCUBCCNGW-LJQANCHMSA-N 1 2 429.521 -0.251 20 0 IBADLO CN(C)C(=O)NCCN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000550711631 1073018354 /nfs/dbraw/zinc/01/83/54/1073018354.db2.gz DKIXSOPWYMRZQE-UHFFFAOYSA-N 1 2 432.525 -0.065 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(O)cc1 ZINC000550724173 1073018694 /nfs/dbraw/zinc/01/86/94/1073018694.db2.gz LIIOEGJFQPFDOA-UHFFFAOYSA-N 1 2 447.517 -0.328 20 0 IBADLO CC(C)Nc1nc(N2CCC(NS(=O)(=O)c3cccs3)CC2)nc(NCCO)[nH+]1 ZINC000550729681 1073019064 /nfs/dbraw/zinc/01/90/64/1073019064.db2.gz CXVTVTUVWFGHRS-UHFFFAOYSA-N 1 2 441.583 -0.051 20 0 IBADLO CN(CCN1CCOCC1)C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000550729982 1073019295 /nfs/dbraw/zinc/01/92/95/1073019295.db2.gz HUPQXKGEZZEDEN-UHFFFAOYSA-N 1 2 431.537 -0.004 20 0 IBADLO COCCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550739789 1073021085 /nfs/dbraw/zinc/02/10/85/1073021085.db2.gz KYNMDNRRGSMHFZ-UHFFFAOYSA-N 1 2 427.527 -0.808 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000550741017 1073020991 /nfs/dbraw/zinc/02/09/91/1073020991.db2.gz QOULRTBJSUWNSQ-IYBDPMFKSA-N 1 2 426.539 -0.351 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000550741017 1073020986 /nfs/dbraw/zinc/02/09/86/1073020986.db2.gz QOULRTBJSUWNSQ-IYBDPMFKSA-N 1 2 426.539 -0.351 20 0 IBADLO CC(C)Nc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000550746683 1073021386 /nfs/dbraw/zinc/02/13/86/1073021386.db2.gz UVIAADHMESIAHE-UHFFFAOYSA-N 1 2 435.554 -0.408 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000550753700 1073022618 /nfs/dbraw/zinc/02/26/18/1073022618.db2.gz CUHDXGCTTVWKAI-IBGZPJMESA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000550753706 1073021823 /nfs/dbraw/zinc/02/18/23/1073021823.db2.gz CUHDXGCTTVWKAI-LJQANCHMSA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000550755043 1073022135 /nfs/dbraw/zinc/02/21/35/1073022135.db2.gz BHJDMAMIJVWVEU-KRWDZBQOSA-N 1 2 440.566 -0.056 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000550755044 1073022004 /nfs/dbraw/zinc/02/20/04/1073022004.db2.gz BHJDMAMIJVWVEU-QGZVFWFLSA-N 1 2 440.566 -0.056 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550755425 1073022183 /nfs/dbraw/zinc/02/21/83/1073022183.db2.gz BUDJGHVUBGFLFW-HKUYNNGSSA-N 1 2 437.585 -0.339 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550755426 1073022223 /nfs/dbraw/zinc/02/22/23/1073022223.db2.gz BUDJGHVUBGFLFW-IEBWSBKVSA-N 1 2 437.585 -0.339 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550755427 1073022156 /nfs/dbraw/zinc/02/21/56/1073022156.db2.gz BUDJGHVUBGFLFW-MJGOQNOKSA-N 1 2 437.585 -0.339 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550755428 1073022242 /nfs/dbraw/zinc/02/22/42/1073022242.db2.gz BUDJGHVUBGFLFW-PKOBYXMFSA-N 1 2 437.585 -0.339 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550755883 1073022648 /nfs/dbraw/zinc/02/26/48/1073022648.db2.gz FBMYSKUJSZNPIW-IBGZPJMESA-N 1 2 439.601 -0.138 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550755884 1073022442 /nfs/dbraw/zinc/02/24/42/1073022442.db2.gz FBMYSKUJSZNPIW-LJQANCHMSA-N 1 2 439.601 -0.138 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000550757711 1073022669 /nfs/dbraw/zinc/02/26/69/1073022669.db2.gz ORDHPCWJQBNKKX-KRWDZBQOSA-N 1 2 434.541 -0.003 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000550757712 1073022579 /nfs/dbraw/zinc/02/25/79/1073022579.db2.gz ORDHPCWJQBNKKX-QGZVFWFLSA-N 1 2 434.541 -0.003 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000550758893 1073023064 /nfs/dbraw/zinc/02/30/64/1073023064.db2.gz YRHFWMIZFFPJED-MSOLQXFVSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000550758893 1073023060 /nfs/dbraw/zinc/02/30/60/1073023060.db2.gz YRHFWMIZFFPJED-MSOLQXFVSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000550758898 1073022978 /nfs/dbraw/zinc/02/29/78/1073022978.db2.gz YRHFWMIZFFPJED-QZTJIDSGSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000550758898 1073022972 /nfs/dbraw/zinc/02/29/72/1073022972.db2.gz YRHFWMIZFFPJED-QZTJIDSGSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000550758900 1073023027 /nfs/dbraw/zinc/02/30/27/1073023027.db2.gz YRHFWMIZFFPJED-ROUUACIJSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000550758900 1073023020 /nfs/dbraw/zinc/02/30/20/1073023020.db2.gz YRHFWMIZFFPJED-ROUUACIJSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000550758902 1073023051 /nfs/dbraw/zinc/02/30/51/1073023051.db2.gz YRHFWMIZFFPJED-ZWKOTPCHSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000550758902 1073023047 /nfs/dbraw/zinc/02/30/47/1073023047.db2.gz YRHFWMIZFFPJED-ZWKOTPCHSA-N 1 2 426.558 -0.055 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)[C@H](C)C1 ZINC000550763077 1073023443 /nfs/dbraw/zinc/02/34/43/1073023443.db2.gz COQYFWCSWXAVKS-LLVKDONJSA-N 1 2 434.457 -0.639 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)[C@H](C)C1 ZINC000550763077 1073023436 /nfs/dbraw/zinc/02/34/36/1073023436.db2.gz COQYFWCSWXAVKS-LLVKDONJSA-N 1 2 434.457 -0.639 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)[C@@H](C)C1 ZINC000550763078 1073023370 /nfs/dbraw/zinc/02/33/70/1073023370.db2.gz COQYFWCSWXAVKS-NSHDSACASA-N 1 2 434.457 -0.639 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)[C@@H](C)C1 ZINC000550763078 1073023361 /nfs/dbraw/zinc/02/33/61/1073023361.db2.gz COQYFWCSWXAVKS-NSHDSACASA-N 1 2 434.457 -0.639 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000550769600 1073024363 /nfs/dbraw/zinc/02/43/63/1073024363.db2.gz WCXYWNKNEGIONN-KRWDZBQOSA-N 1 2 438.550 -0.206 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000550769601 1073024334 /nfs/dbraw/zinc/02/43/34/1073024334.db2.gz WCXYWNKNEGIONN-QGZVFWFLSA-N 1 2 438.550 -0.206 20 0 IBADLO CN(Cc1nccn1C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550787340 1073028368 /nfs/dbraw/zinc/02/83/68/1073028368.db2.gz BPTCAXNGBSTAOL-UHFFFAOYSA-N 1 2 449.537 -0.958 20 0 IBADLO Cc1ccsc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550787492 1073028344 /nfs/dbraw/zinc/02/83/44/1073028344.db2.gz JXWONIKXHSWLCP-UHFFFAOYSA-N 1 2 429.568 -0.691 20 0 IBADLO CN(C[C@H]1CCCO1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550788209 1073028738 /nfs/dbraw/zinc/02/87/38/1073028738.db2.gz CWMUUUFIVDWCON-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000550789279 1073028713 /nfs/dbraw/zinc/02/87/13/1073028713.db2.gz NKJMCOCYYVMCHT-KRWDZBQOSA-N 1 2 435.550 -0.092 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000550789280 1073028832 /nfs/dbraw/zinc/02/88/32/1073028832.db2.gz NKJMCOCYYVMCHT-QGZVFWFLSA-N 1 2 435.550 -0.092 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCSC1 ZINC000550789478 1073028777 /nfs/dbraw/zinc/02/87/77/1073028777.db2.gz XPTUTBRKHDXRGP-AWEZNQCLSA-N 1 2 427.552 -0.729 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCSC1 ZINC000550789479 1073028626 /nfs/dbraw/zinc/02/86/26/1073028626.db2.gz XPTUTBRKHDXRGP-CQSZACIVSA-N 1 2 427.552 -0.729 20 0 IBADLO COCC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799287 1073029784 /nfs/dbraw/zinc/02/97/84/1073029784.db2.gz FMQKUASPHDCKKA-HNNXBMFYSA-N 1 2 427.527 -0.809 20 0 IBADLO COCC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799288 1073030293 /nfs/dbraw/zinc/03/02/93/1073030293.db2.gz FMQKUASPHDCKKA-OAHLLOKOSA-N 1 2 427.527 -0.809 20 0 IBADLO Cc1cccnc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799318 1073029758 /nfs/dbraw/zinc/02/97/58/1073029758.db2.gz GYZPDCYXKYSZTL-UHFFFAOYSA-N 1 2 446.533 -0.331 20 0 IBADLO CC[C@@H](CSC)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799329 1073029585 /nfs/dbraw/zinc/02/95/85/1073029585.db2.gz HLSZPUYRPXBBFA-HNNXBMFYSA-N 1 2 443.595 -0.093 20 0 IBADLO CC[C@H](CSC)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799330 1073029633 /nfs/dbraw/zinc/02/96/33/1073029633.db2.gz HLSZPUYRPXBBFA-OAHLLOKOSA-N 1 2 443.595 -0.093 20 0 IBADLO CS[C@@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799609 1073029705 /nfs/dbraw/zinc/02/97/05/1073029705.db2.gz BQVXGDFLJJTSAF-AWEZNQCLSA-N 1 2 429.568 -0.483 20 0 IBADLO CS[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799617 1073029772 /nfs/dbraw/zinc/02/97/72/1073029772.db2.gz BQVXGDFLJJTSAF-CQSZACIVSA-N 1 2 429.568 -0.483 20 0 IBADLO COC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000550800301 1073028654 /nfs/dbraw/zinc/02/86/54/1073028654.db2.gz XSWMNSFVNKCDNZ-INIZCTEOSA-N 1 2 439.538 -0.809 20 0 IBADLO COC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000550800302 1073028817 /nfs/dbraw/zinc/02/88/17/1073028817.db2.gz XSWMNSFVNKCDNZ-MRXNPFEDSA-N 1 2 439.538 -0.809 20 0 IBADLO CSC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550800339 1073028892 /nfs/dbraw/zinc/02/88/92/1073028892.db2.gz ZLFFOKCHYGZCGQ-AWEZNQCLSA-N 1 2 429.568 -0.483 20 0 IBADLO CSC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550800340 1073028860 /nfs/dbraw/zinc/02/88/60/1073028860.db2.gz ZLFFOKCHYGZCGQ-CQSZACIVSA-N 1 2 429.568 -0.483 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000550802693 1073030556 /nfs/dbraw/zinc/03/05/56/1073030556.db2.gz CKUMMDBUEQXZTC-AWEZNQCLSA-N 1 2 425.507 -0.198 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000550802693 1073030548 /nfs/dbraw/zinc/03/05/48/1073030548.db2.gz CKUMMDBUEQXZTC-AWEZNQCLSA-N 1 2 425.507 -0.198 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000550802694 1073030632 /nfs/dbraw/zinc/03/06/32/1073030632.db2.gz CKUMMDBUEQXZTC-CQSZACIVSA-N 1 2 425.507 -0.198 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000550802694 1073030623 /nfs/dbraw/zinc/03/06/23/1073030623.db2.gz CKUMMDBUEQXZTC-CQSZACIVSA-N 1 2 425.507 -0.198 20 0 IBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000550804678 1073030239 /nfs/dbraw/zinc/03/02/39/1073030239.db2.gz MXZJPAUJSMZKIG-AWEZNQCLSA-N 1 2 429.481 -0.133 20 0 IBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000550804679 1073030202 /nfs/dbraw/zinc/03/02/02/1073030202.db2.gz MXZJPAUJSMZKIG-CQSZACIVSA-N 1 2 429.481 -0.133 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550817923 1073032315 /nfs/dbraw/zinc/03/23/15/1073032315.db2.gz ATPCAIOSQQOIQB-UHFFFAOYSA-N 1 2 438.536 -0.105 20 0 IBADLO CSCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550820560 1073032424 /nfs/dbraw/zinc/03/24/24/1073032424.db2.gz KNHJIJQQVPQOGE-UHFFFAOYSA-N 1 2 429.568 -0.481 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000550821777 1073032857 /nfs/dbraw/zinc/03/28/57/1073032857.db2.gz UFGIOFWFRAAQHF-GFCCVEGCSA-N 1 2 434.419 -0.825 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000550821778 1073032740 /nfs/dbraw/zinc/03/27/40/1073032740.db2.gz UFGIOFWFRAAQHF-LBPRGKRZSA-N 1 2 434.419 -0.825 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000550822492 1073032695 /nfs/dbraw/zinc/03/26/95/1073032695.db2.gz OFMJZQRXXPDWOC-MOPGFXCFSA-N 1 2 445.568 -0.526 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000550822493 1073032721 /nfs/dbraw/zinc/03/27/21/1073032721.db2.gz OFMJZQRXXPDWOC-OALUTQOASA-N 1 2 445.568 -0.526 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000550822494 1073032927 /nfs/dbraw/zinc/03/29/27/1073032927.db2.gz OFMJZQRXXPDWOC-RBUKOAKNSA-N 1 2 445.568 -0.526 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000550822495 1073032896 /nfs/dbraw/zinc/03/28/96/1073032896.db2.gz OFMJZQRXXPDWOC-RTBURBONSA-N 1 2 445.568 -0.526 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000550825324 1073033613 /nfs/dbraw/zinc/03/36/13/1073033613.db2.gz BJRFBDUQHAKLNP-UHFFFAOYSA-N 1 2 437.566 -0.581 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000550825651 1073033821 /nfs/dbraw/zinc/03/38/21/1073033821.db2.gz FIWSATZKFGGLOL-UHFFFAOYSA-N 1 2 431.537 -0.368 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cn1 ZINC000550826806 1073034194 /nfs/dbraw/zinc/03/41/94/1073034194.db2.gz SYZYPGPWQOYANY-IBGZPJMESA-N 1 2 439.520 -0.420 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cn1 ZINC000550826807 1073034142 /nfs/dbraw/zinc/03/41/42/1073034142.db2.gz SYZYPGPWQOYANY-LJQANCHMSA-N 1 2 439.520 -0.420 20 0 IBADLO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550827194 1073034544 /nfs/dbraw/zinc/03/45/44/1073034544.db2.gz UBMAUYDXPOMOFH-CTNGQTDRSA-N 1 2 448.564 -0.203 20 0 IBADLO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550827196 1073034607 /nfs/dbraw/zinc/03/46/07/1073034607.db2.gz UBMAUYDXPOMOFH-FPOVZHCZSA-N 1 2 448.564 -0.203 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550827198 1073034516 /nfs/dbraw/zinc/03/45/16/1073034516.db2.gz UBMAUYDXPOMOFH-PZJWPPBQSA-N 1 2 448.564 -0.203 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550827199 1073034529 /nfs/dbraw/zinc/03/45/29/1073034529.db2.gz UBMAUYDXPOMOFH-TZIWHRDSSA-N 1 2 448.564 -0.203 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000550827260 1073363601 /nfs/dbraw/zinc/36/36/01/1073363601.db2.gz VXVQDPYVNFQQBC-UHFFFAOYSA-N 1 2 444.565 -0.293 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000550827595 1073034726 /nfs/dbraw/zinc/03/47/26/1073034726.db2.gz XZEWPMSPMSNLHT-HDICACEKSA-N 1 2 433.557 -0.718 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000550827595 1073034719 /nfs/dbraw/zinc/03/47/19/1073034719.db2.gz XZEWPMSPMSNLHT-HDICACEKSA-N 1 2 433.557 -0.718 20 0 IBADLO CC(C)(CO)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550850798 1073035877 /nfs/dbraw/zinc/03/58/77/1073035877.db2.gz YHAXLNINNPCGRY-UHFFFAOYSA-N 1 2 434.541 -0.123 20 0 IBADLO CC(C)(CO)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550850798 1073035866 /nfs/dbraw/zinc/03/58/66/1073035866.db2.gz YHAXLNINNPCGRY-UHFFFAOYSA-N 1 2 434.541 -0.123 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000550859891 1073037081 /nfs/dbraw/zinc/03/70/81/1073037081.db2.gz KCPGQFMNTKOFGB-UHFFFAOYSA-N 1 2 438.554 -0.246 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCNc1cccc[nH+]1)N1CCN(c2ncccn2)CC1 ZINC000550899884 1073041135 /nfs/dbraw/zinc/04/11/35/1073041135.db2.gz FUWUHOCUEPVWAW-UHFFFAOYSA-N 1 2 440.508 -0.355 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)c1=O ZINC000550903810 1073041218 /nfs/dbraw/zinc/04/12/18/1073041218.db2.gz IQQWWIDJILIBMD-UHFFFAOYSA-N 1 2 425.493 -0.391 20 0 IBADLO Cn1nccc1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550922609 1073043319 /nfs/dbraw/zinc/04/33/19/1073043319.db2.gz JNNMJAYMQSBJFG-HNNXBMFYSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1nccc1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550922609 1073043308 /nfs/dbraw/zinc/04/33/08/1073043308.db2.gz JNNMJAYMQSBJFG-HNNXBMFYSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1nccc1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550922610 1073043574 /nfs/dbraw/zinc/04/35/74/1073043574.db2.gz JNNMJAYMQSBJFG-OAHLLOKOSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1nccc1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550922610 1073043561 /nfs/dbraw/zinc/04/35/61/1073043561.db2.gz JNNMJAYMQSBJFG-OAHLLOKOSA-N 1 2 428.497 -0.552 20 0 IBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000550957794 1073047409 /nfs/dbraw/zinc/04/74/09/1073047409.db2.gz WQLSBLWDENUOJS-UHFFFAOYSA-N 1 2 429.568 -0.627 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000550976449 1073048441 /nfs/dbraw/zinc/04/84/41/1073048441.db2.gz FWFNQQWPEGTOEH-KRWDZBQOSA-N 1 2 448.568 -0.437 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000550976450 1073048742 /nfs/dbraw/zinc/04/87/42/1073048742.db2.gz FWFNQQWPEGTOEH-QGZVFWFLSA-N 1 2 448.568 -0.437 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)no1 ZINC000550976841 1073329122 /nfs/dbraw/zinc/32/91/22/1073329122.db2.gz NENZBKYNKQBSIQ-UHFFFAOYSA-N 1 2 443.508 -0.043 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000550976907 1073048455 /nfs/dbraw/zinc/04/84/55/1073048455.db2.gz PYDGTDDXZSTEKM-KRWDZBQOSA-N 1 2 446.552 -0.730 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000550976908 1073048362 /nfs/dbraw/zinc/04/83/62/1073048362.db2.gz PYDGTDDXZSTEKM-QGZVFWFLSA-N 1 2 446.552 -0.730 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)n1 ZINC000550977663 1073048958 /nfs/dbraw/zinc/04/89/58/1073048958.db2.gz WGPGEZVCIVFSKH-UHFFFAOYSA-N 1 2 431.497 -0.248 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000551005585 1073052191 /nfs/dbraw/zinc/05/21/91/1073052191.db2.gz KNOCSZJZMLOWRN-IBGZPJMESA-N 1 2 432.521 -0.423 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000551005587 1073052243 /nfs/dbraw/zinc/05/22/43/1073052243.db2.gz KNOCSZJZMLOWRN-LJQANCHMSA-N 1 2 432.521 -0.423 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000551032499 1073054550 /nfs/dbraw/zinc/05/45/50/1073054550.db2.gz NEBJODOLNLDMKZ-HNNXBMFYSA-N 1 2 435.506 -0.275 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000551032501 1073054482 /nfs/dbraw/zinc/05/44/82/1073054482.db2.gz NEBJODOLNLDMKZ-OAHLLOKOSA-N 1 2 435.506 -0.275 20 0 IBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000551033876 1073054519 /nfs/dbraw/zinc/05/45/19/1073054519.db2.gz FVIQDLKZSNADBA-GOSISDBHSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000551033877 1073054375 /nfs/dbraw/zinc/05/43/75/1073054375.db2.gz FVIQDLKZSNADBA-SFHVURJKSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000551034001 1073054031 /nfs/dbraw/zinc/05/40/31/1073054031.db2.gz WOYROVSZJZWJLH-INIZCTEOSA-N 1 2 449.537 -0.949 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000551034002 1073054092 /nfs/dbraw/zinc/05/40/92/1073054092.db2.gz WOYROVSZJZWJLH-MRXNPFEDSA-N 1 2 449.537 -0.949 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000551035614 1073054464 /nfs/dbraw/zinc/05/44/64/1073054464.db2.gz GTSKXFGYSOWLDJ-INIZCTEOSA-N 1 2 449.533 -0.134 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000551035617 1073054590 /nfs/dbraw/zinc/05/45/90/1073054590.db2.gz GTSKXFGYSOWLDJ-MRXNPFEDSA-N 1 2 449.533 -0.134 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000551038132 1073055355 /nfs/dbraw/zinc/05/53/55/1073055355.db2.gz SPPBTLTURBCDPZ-AWEZNQCLSA-N 1 2 445.505 -0.203 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000551038135 1073055726 /nfs/dbraw/zinc/05/57/26/1073055726.db2.gz SPPBTLTURBCDPZ-CQSZACIVSA-N 1 2 445.505 -0.203 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551045046 1073054931 /nfs/dbraw/zinc/05/49/31/1073054931.db2.gz FMNLWPWYNDEQCM-KRWDZBQOSA-N 1 2 439.520 -0.351 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551045047 1073055056 /nfs/dbraw/zinc/05/50/56/1073055056.db2.gz FMNLWPWYNDEQCM-QGZVFWFLSA-N 1 2 439.520 -0.351 20 0 IBADLO COCCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000551079476 1073060959 /nfs/dbraw/zinc/06/09/59/1073060959.db2.gz YOMQWNXVOBIKRO-INIZCTEOSA-N 1 2 436.513 -0.823 20 0 IBADLO COCCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000551079476 1073060953 /nfs/dbraw/zinc/06/09/53/1073060953.db2.gz YOMQWNXVOBIKRO-INIZCTEOSA-N 1 2 436.513 -0.823 20 0 IBADLO COCCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000551079485 1073061071 /nfs/dbraw/zinc/06/10/71/1073061071.db2.gz YOMQWNXVOBIKRO-MRXNPFEDSA-N 1 2 436.513 -0.823 20 0 IBADLO COCCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000551079485 1073061060 /nfs/dbraw/zinc/06/10/60/1073061060.db2.gz YOMQWNXVOBIKRO-MRXNPFEDSA-N 1 2 436.513 -0.823 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000551095313 1073062510 /nfs/dbraw/zinc/06/25/10/1073062510.db2.gz MQUMBCXYXUWRHR-KRWDZBQOSA-N 1 2 438.550 -0.076 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000551095314 1073062588 /nfs/dbraw/zinc/06/25/88/1073062588.db2.gz MQUMBCXYXUWRHR-QGZVFWFLSA-N 1 2 438.550 -0.076 20 0 IBADLO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnn1Cc1ccccc1F ZINC000551115756 1073062853 /nfs/dbraw/zinc/06/28/53/1073062853.db2.gz NTFZNYAEQAOFEW-INIZCTEOSA-N 1 2 434.472 -0.136 20 0 IBADLO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnn1Cc1ccccc1F ZINC000551115758 1073063012 /nfs/dbraw/zinc/06/30/12/1073063012.db2.gz NTFZNYAEQAOFEW-MRXNPFEDSA-N 1 2 434.472 -0.136 20 0 IBADLO Cc1ccc(CCNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000551132446 1073064600 /nfs/dbraw/zinc/06/46/00/1073064600.db2.gz GDLSNUZZXOTDRO-UHFFFAOYSA-N 1 2 449.533 -0.090 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551142410 1073067874 /nfs/dbraw/zinc/06/78/74/1073067874.db2.gz DJCYYHWPYFOWIY-GOSISDBHSA-N 1 2 445.568 -0.036 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551142410 1073067863 /nfs/dbraw/zinc/06/78/63/1073067863.db2.gz DJCYYHWPYFOWIY-GOSISDBHSA-N 1 2 445.568 -0.036 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551142418 1073067831 /nfs/dbraw/zinc/06/78/31/1073067831.db2.gz DJCYYHWPYFOWIY-SFHVURJKSA-N 1 2 445.568 -0.036 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551142418 1073067821 /nfs/dbraw/zinc/06/78/21/1073067821.db2.gz DJCYYHWPYFOWIY-SFHVURJKSA-N 1 2 445.568 -0.036 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)Cn1cccn1 ZINC000551152694 1073065902 /nfs/dbraw/zinc/06/59/02/1073065902.db2.gz SGOCVTFVGDLPTQ-KRWDZBQOSA-N 1 2 442.524 -0.389 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)Cn1cccn1 ZINC000551152694 1073065896 /nfs/dbraw/zinc/06/58/96/1073065896.db2.gz SGOCVTFVGDLPTQ-KRWDZBQOSA-N 1 2 442.524 -0.389 20 0 IBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)Cn1cccn1 ZINC000551152701 1073065981 /nfs/dbraw/zinc/06/59/81/1073065981.db2.gz SGOCVTFVGDLPTQ-QGZVFWFLSA-N 1 2 442.524 -0.389 20 0 IBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)Cn1cccn1 ZINC000551152701 1073065977 /nfs/dbraw/zinc/06/59/77/1073065977.db2.gz SGOCVTFVGDLPTQ-QGZVFWFLSA-N 1 2 442.524 -0.389 20 0 IBADLO CSCCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551163919 1073068263 /nfs/dbraw/zinc/06/82/63/1073068263.db2.gz AJLMIGNWHPIHHN-UHFFFAOYSA-N 1 2 443.595 -0.139 20 0 IBADLO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000551163924 1073068198 /nfs/dbraw/zinc/06/81/98/1073068198.db2.gz ARJFEYBXZDDCRX-INIZCTEOSA-N 1 2 446.533 -0.078 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000551166423 1073068773 /nfs/dbraw/zinc/06/87/73/1073068773.db2.gz ZIHZVCWMVZBPCF-UHFFFAOYSA-N 1 2 447.521 -0.936 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000551169181 1073067778 /nfs/dbraw/zinc/06/77/78/1073067778.db2.gz DDEKWYFGZVDMQK-IYBDPMFKSA-N 1 2 439.538 -0.715 20 0 IBADLO CN(C[C@@H]1CCCO1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551179386 1073071206 /nfs/dbraw/zinc/07/12/06/1073071206.db2.gz CWMUUUFIVDWCON-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO COC1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000551179624 1073070990 /nfs/dbraw/zinc/07/09/90/1073070990.db2.gz HHEOKGJDEIJEBW-UHFFFAOYSA-N 1 2 439.538 -0.665 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CCOCC1 ZINC000551179715 1073071076 /nfs/dbraw/zinc/07/10/76/1073071076.db2.gz KJRKYPDWBFSLRR-UHFFFAOYSA-N 1 2 439.538 -0.808 20 0 IBADLO C[C@H]1CSCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551179725 1073071232 /nfs/dbraw/zinc/07/12/32/1073071232.db2.gz KUMRCHAFLRVPJJ-HNNXBMFYSA-N 1 2 441.579 -0.387 20 0 IBADLO C[C@@H]1CSCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551179726 1073071178 /nfs/dbraw/zinc/07/11/78/1073071178.db2.gz KUMRCHAFLRVPJJ-OAHLLOKOSA-N 1 2 441.579 -0.387 20 0 IBADLO COC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000551179838 1073070336 /nfs/dbraw/zinc/07/03/36/1073070336.db2.gz LOBQMHDKDIUZSX-UHFFFAOYSA-N 1 2 439.538 -0.713 20 0 IBADLO CC1(C)CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000551179886 1073071005 /nfs/dbraw/zinc/07/10/05/1073071005.db2.gz OBMGIRGLDLXMEB-UHFFFAOYSA-N 1 2 439.538 -0.713 20 0 IBADLO CN(CCn1cccn1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551180179 1073071274 /nfs/dbraw/zinc/07/12/74/1073071274.db2.gz UESMGYBNFWOZAR-UHFFFAOYSA-N 1 2 449.537 -0.995 20 0 IBADLO CO[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000551180378 1073071037 /nfs/dbraw/zinc/07/10/37/1073071037.db2.gz XYJBTOPQPQSYSD-INIZCTEOSA-N 1 2 441.554 -0.563 20 0 IBADLO CO[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000551180379 1073071027 /nfs/dbraw/zinc/07/10/27/1073071027.db2.gz XYJBTOPQPQSYSD-MRXNPFEDSA-N 1 2 441.554 -0.563 20 0 IBADLO CCCCN(CCO)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551181124 1073071155 /nfs/dbraw/zinc/07/11/55/1073071155.db2.gz MJRNQYHVUQHYLG-UHFFFAOYSA-N 1 2 441.554 -0.729 20 0 IBADLO Cc1cnccc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000551181315 1073071728 /nfs/dbraw/zinc/07/17/28/1073071728.db2.gz SEQAYYRLHDFLLH-UHFFFAOYSA-N 1 2 446.533 -0.331 20 0 IBADLO CC[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000551197551 1073072202 /nfs/dbraw/zinc/07/22/02/1073072202.db2.gz FVFDNMHCNGQNQZ-IBGZPJMESA-N 1 2 431.537 -0.322 20 0 IBADLO CC[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000551197552 1073072032 /nfs/dbraw/zinc/07/20/32/1073072032.db2.gz FVFDNMHCNGQNQZ-LJQANCHMSA-N 1 2 431.537 -0.322 20 0 IBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551198326 1073072124 /nfs/dbraw/zinc/07/21/24/1073072124.db2.gz MKOYFNPIJLUENA-UHFFFAOYSA-N 1 2 426.525 -0.394 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551199235 1073074054 /nfs/dbraw/zinc/07/40/54/1073074054.db2.gz XUOMNEGFMDBIHT-UHFFFAOYSA-N 1 2 433.557 -0.716 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000551199846 1073073931 /nfs/dbraw/zinc/07/39/31/1073073931.db2.gz ALRVNWMRYOTSNP-FQEVSTJZSA-N 1 2 443.548 -0.225 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000551199849 1073073911 /nfs/dbraw/zinc/07/39/11/1073073911.db2.gz ALRVNWMRYOTSNP-HXUWFJFHSA-N 1 2 443.548 -0.225 20 0 IBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000551203767 1073072566 /nfs/dbraw/zinc/07/25/66/1073072566.db2.gz ANLZDFGMJFSZQP-UHFFFAOYSA-N 1 2 444.580 -0.453 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203964 1073072707 /nfs/dbraw/zinc/07/27/07/1073072707.db2.gz FMNDHEXRXBWLBR-UHFFFAOYSA-N 1 2 433.557 -0.716 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203964 1073072692 /nfs/dbraw/zinc/07/26/92/1073072692.db2.gz FMNDHEXRXBWLBR-UHFFFAOYSA-N 1 2 433.557 -0.716 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2CO)cn1 ZINC000551204148 1073072382 /nfs/dbraw/zinc/07/23/82/1073072382.db2.gz JKBZPHZJYNHOAG-FPOVZHCZSA-N 1 2 440.548 -0.107 20 0 IBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204195 1073073089 /nfs/dbraw/zinc/07/30/89/1073073089.db2.gz AYUUNNZLQZUAAK-IBGZPJMESA-N 1 2 445.568 -0.716 20 0 IBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204195 1073073079 /nfs/dbraw/zinc/07/30/79/1073073079.db2.gz AYUUNNZLQZUAAK-IBGZPJMESA-N 1 2 445.568 -0.716 20 0 IBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204196 1073073056 /nfs/dbraw/zinc/07/30/56/1073073056.db2.gz AYUUNNZLQZUAAK-LJQANCHMSA-N 1 2 445.568 -0.716 20 0 IBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204196 1073073047 /nfs/dbraw/zinc/07/30/47/1073073047.db2.gz AYUUNNZLQZUAAK-LJQANCHMSA-N 1 2 445.568 -0.716 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000551204320 1073073168 /nfs/dbraw/zinc/07/31/68/1073073168.db2.gz NVDZMARRCQPMCF-GOSISDBHSA-N 1 2 437.566 -0.535 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000551205089 1073072486 /nfs/dbraw/zinc/07/24/86/1073072486.db2.gz RVEXTLSSUVNTJI-UHFFFAOYSA-N 1 2 430.553 -0.667 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000551206085 1073073297 /nfs/dbraw/zinc/07/32/97/1073073297.db2.gz PHKNSIXIVYVXBG-IBGZPJMESA-N 1 2 435.500 -0.573 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000551206086 1073073145 /nfs/dbraw/zinc/07/31/45/1073073145.db2.gz PHKNSIXIVYVXBG-LJQANCHMSA-N 1 2 435.500 -0.573 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000551206639 1073073492 /nfs/dbraw/zinc/07/34/92/1073073492.db2.gz VUNJRCXYVSCYOX-UHFFFAOYSA-N 1 2 435.500 -0.619 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000551207026 1073073600 /nfs/dbraw/zinc/07/36/00/1073073600.db2.gz ZLLCSOVOWKMSJD-UHFFFAOYSA-N 1 2 430.553 -0.795 20 0 IBADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000551251017 1073076688 /nfs/dbraw/zinc/07/66/88/1073076688.db2.gz BHPVSHVYJWSFBK-UHFFFAOYSA-N 1 2 438.488 -0.503 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000551276915 1073077054 /nfs/dbraw/zinc/07/70/54/1073077054.db2.gz NHVJVTBEGWXSHP-UHFFFAOYSA-N 1 2 441.554 -0.101 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)N1CCOCC1 ZINC000551277663 1073078179 /nfs/dbraw/zinc/07/81/79/1073078179.db2.gz XDFVRMGMCCQGFE-UHFFFAOYSA-N 1 2 444.536 -0.830 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC2)cn1C ZINC000551279227 1073078225 /nfs/dbraw/zinc/07/82/25/1073078225.db2.gz GGHNGZAOLQLKJM-UHFFFAOYSA-N 1 2 449.537 -0.425 20 0 IBADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551352093 1073080872 /nfs/dbraw/zinc/08/08/72/1073080872.db2.gz NXHHAEDVSUIJCW-CALCHBBNSA-N 1 2 440.504 -0.087 20 0 IBADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551352093 1073080861 /nfs/dbraw/zinc/08/08/61/1073080861.db2.gz NXHHAEDVSUIJCW-CALCHBBNSA-N 1 2 440.504 -0.087 20 0 IBADLO C[C@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=O ZINC000551352926 1073081342 /nfs/dbraw/zinc/08/13/42/1073081342.db2.gz CZDHQRHINRLYAL-CRAIPNDOSA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=O ZINC000551352927 1073081259 /nfs/dbraw/zinc/08/12/59/1073081259.db2.gz CZDHQRHINRLYAL-MAUKXSAKSA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=O ZINC000551352928 1073081330 /nfs/dbraw/zinc/08/13/30/1073081330.db2.gz CZDHQRHINRLYAL-QAPCUYQASA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=O ZINC000551352929 1073081452 /nfs/dbraw/zinc/08/14/52/1073081452.db2.gz CZDHQRHINRLYAL-YJBOKZPZSA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000551400470 1073083701 /nfs/dbraw/zinc/08/37/01/1073083701.db2.gz LTCNBRHJSKUENX-AWEZNQCLSA-N 1 2 429.506 -0.198 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000551400471 1073083646 /nfs/dbraw/zinc/08/36/46/1073083646.db2.gz LTCNBRHJSKUENX-CQSZACIVSA-N 1 2 429.506 -0.198 20 0 IBADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC000551427502 1073085451 /nfs/dbraw/zinc/08/54/51/1073085451.db2.gz LVWVTUPMNWVSLI-UHFFFAOYSA-N 1 2 446.533 -0.210 20 0 IBADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](CCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC000551427502 1073085441 /nfs/dbraw/zinc/08/54/41/1073085441.db2.gz LVWVTUPMNWVSLI-UHFFFAOYSA-N 1 2 446.533 -0.210 20 0 IBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000551446161 1073086478 /nfs/dbraw/zinc/08/64/78/1073086478.db2.gz CTFUNNZXYKDOPM-HNNXBMFYSA-N 1 2 438.481 -0.556 20 0 IBADLO CCOC(=O)[C@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000551446162 1073086361 /nfs/dbraw/zinc/08/63/61/1073086361.db2.gz CTFUNNZXYKDOPM-OAHLLOKOSA-N 1 2 438.481 -0.556 20 0 IBADLO COc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(Cl)cc1C(N)=O ZINC000551478744 1073088446 /nfs/dbraw/zinc/08/84/46/1073088446.db2.gz JPFUZAUUOHBAKW-GFCCVEGCSA-N 1 2 428.873 -0.463 20 0 IBADLO COc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(Cl)cc1C(N)=O ZINC000551478745 1073088269 /nfs/dbraw/zinc/08/82/69/1073088269.db2.gz JPFUZAUUOHBAKW-LBPRGKRZSA-N 1 2 428.873 -0.463 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC2CCN(C(=O)COC)CC2)[nH+]cn1 ZINC000551544932 1073093469 /nfs/dbraw/zinc/09/34/69/1073093469.db2.gz DEOMXAXSQAQHBN-HNNXBMFYSA-N 1 2 433.513 -0.643 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC2CCN(C(=O)COC)CC2)nc[nH+]1 ZINC000551544932 1073093457 /nfs/dbraw/zinc/09/34/57/1073093457.db2.gz DEOMXAXSQAQHBN-HNNXBMFYSA-N 1 2 433.513 -0.643 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC2CCN(C(=O)COC)CC2)[nH+]cn1 ZINC000551544933 1073093711 /nfs/dbraw/zinc/09/37/11/1073093711.db2.gz DEOMXAXSQAQHBN-OAHLLOKOSA-N 1 2 433.513 -0.643 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC2CCN(C(=O)COC)CC2)nc[nH+]1 ZINC000551544933 1073093699 /nfs/dbraw/zinc/09/36/99/1073093699.db2.gz DEOMXAXSQAQHBN-OAHLLOKOSA-N 1 2 433.513 -0.643 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000551601736 1073096169 /nfs/dbraw/zinc/09/61/69/1073096169.db2.gz MXSPJEBNTNBLIW-DLBZAZTESA-N 1 2 434.541 -0.353 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000551601738 1073095976 /nfs/dbraw/zinc/09/59/76/1073095976.db2.gz MXSPJEBNTNBLIW-IAGOWNOFSA-N 1 2 434.541 -0.353 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000551601739 1073096037 /nfs/dbraw/zinc/09/60/37/1073096037.db2.gz MXSPJEBNTNBLIW-IRXDYDNUSA-N 1 2 434.541 -0.353 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000551601740 1073095931 /nfs/dbraw/zinc/09/59/31/1073095931.db2.gz MXSPJEBNTNBLIW-SJORKVTESA-N 1 2 434.541 -0.353 20 0 IBADLO O=C(NCc1cccc(N2CCOCC2)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000551632153 1073097220 /nfs/dbraw/zinc/09/72/20/1073097220.db2.gz RDVFSKZRVLEJND-UHFFFAOYSA-N 1 2 442.520 0.307 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000551636126 1073097647 /nfs/dbraw/zinc/09/76/47/1073097647.db2.gz YXEJTCHNOCWPDG-UHFFFAOYSA-N 1 2 426.481 -0.623 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000551636126 1073097635 /nfs/dbraw/zinc/09/76/35/1073097635.db2.gz YXEJTCHNOCWPDG-UHFFFAOYSA-N 1 2 426.481 -0.623 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000551643039 1073098689 /nfs/dbraw/zinc/09/86/89/1073098689.db2.gz IKLAKVOELOOKNF-UHFFFAOYSA-N 1 2 440.504 -0.509 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cnc2n(C)c1=O ZINC000551677676 1073099478 /nfs/dbraw/zinc/09/94/78/1073099478.db2.gz BKEPRJRMSLVTRY-UHFFFAOYSA-N 1 2 436.472 -0.085 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc(-n2cncn2)cc1 ZINC000551696368 1073099835 /nfs/dbraw/zinc/09/98/35/1073099835.db2.gz JXBUSSUFNPSPOS-INIZCTEOSA-N 1 2 441.492 -0.497 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc(-n2cncn2)cc1 ZINC000551696369 1073099877 /nfs/dbraw/zinc/09/98/77/1073099877.db2.gz JXBUSSUFNPSPOS-MRXNPFEDSA-N 1 2 441.492 -0.497 20 0 IBADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000551748596 1073102776 /nfs/dbraw/zinc/10/27/76/1073102776.db2.gz XWEUWPCIYBVPAO-UHFFFAOYSA-N 1 2 446.533 -0.258 20 0 IBADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000551748596 1073102772 /nfs/dbraw/zinc/10/27/72/1073102772.db2.gz XWEUWPCIYBVPAO-UHFFFAOYSA-N 1 2 446.533 -0.258 20 0 IBADLO CC(C)Oc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000551769294 1073319059 /nfs/dbraw/zinc/31/90/59/1073319059.db2.gz KBDBMNDAQZSPAK-UHFFFAOYSA-N 1 2 441.492 0.452 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000551808687 1073108093 /nfs/dbraw/zinc/10/80/93/1073108093.db2.gz OHPGWIXHZWNBLY-INIZCTEOSA-N 1 2 426.525 -0.048 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000551808688 1073107936 /nfs/dbraw/zinc/10/79/36/1073107936.db2.gz OHPGWIXHZWNBLY-MRXNPFEDSA-N 1 2 426.525 -0.048 20 0 IBADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000551824363 1073108018 /nfs/dbraw/zinc/10/80/18/1073108018.db2.gz CVYMOHHLRBNCHG-HNNXBMFYSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000551824363 1073108015 /nfs/dbraw/zinc/10/80/15/1073108015.db2.gz CVYMOHHLRBNCHG-HNNXBMFYSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000551824364 1073108117 /nfs/dbraw/zinc/10/81/17/1073108117.db2.gz CVYMOHHLRBNCHG-OAHLLOKOSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000551824364 1073108114 /nfs/dbraw/zinc/10/81/14/1073108114.db2.gz CVYMOHHLRBNCHG-OAHLLOKOSA-N 1 2 425.511 -0.934 20 0 IBADLO NC(=O)c1cnn2c1C[C@@H](CNC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000551824669 1073107920 /nfs/dbraw/zinc/10/79/20/1073107920.db2.gz BDZVZLVSCJAZKY-HNNXBMFYSA-N 1 2 427.513 -0.544 20 0 IBADLO NC(=O)c1cnn2c1C[C@H](CNC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000551824670 1073107944 /nfs/dbraw/zinc/10/79/44/1073107944.db2.gz BDZVZLVSCJAZKY-OAHLLOKOSA-N 1 2 427.513 -0.544 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000551833754 1073108612 /nfs/dbraw/zinc/10/86/12/1073108612.db2.gz SCXSBIYWNFTXJS-KRWDZBQOSA-N 1 2 434.541 -0.399 20 0 IBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000551833755 1073108687 /nfs/dbraw/zinc/10/86/87/1073108687.db2.gz SCXSBIYWNFTXJS-QGZVFWFLSA-N 1 2 434.541 -0.399 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc[nH+]1 ZINC000551835198 1073109873 /nfs/dbraw/zinc/10/98/73/1073109873.db2.gz LWBRENOCCKWCQC-UHFFFAOYSA-N 1 2 428.497 -0.665 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)cn1C ZINC000551851005 1073110473 /nfs/dbraw/zinc/11/04/73/1073110473.db2.gz AYANMOOLTDSVGZ-UHFFFAOYSA-N 1 2 437.526 -0.645 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000551851496 1073110503 /nfs/dbraw/zinc/11/05/03/1073110503.db2.gz UGZYPQOYCGCDFD-UHFFFAOYSA-N 1 2 437.547 -0.017 20 0 IBADLO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000551852950 1073110398 /nfs/dbraw/zinc/11/03/98/1073110398.db2.gz GAUAPAKZQIPXOL-LEWJYISDSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000551852955 1073110393 /nfs/dbraw/zinc/11/03/93/1073110393.db2.gz GAUAPAKZQIPXOL-NHCUHLMSSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000551852957 1073110464 /nfs/dbraw/zinc/11/04/64/1073110464.db2.gz GAUAPAKZQIPXOL-RTWAWAEBSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000551852958 1073110382 /nfs/dbraw/zinc/11/03/82/1073110382.db2.gz GAUAPAKZQIPXOL-SFTDATJTSA-N 1 2 448.564 -0.364 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1)N1CCOCC1 ZINC000551853555 1073110454 /nfs/dbraw/zinc/11/04/54/1073110454.db2.gz LHXWUSVFCCUIMT-UHFFFAOYSA-N 1 2 440.504 -0.509 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCCN(CC)S(C)(=O)=O)CC1 ZINC000551859493 1073110915 /nfs/dbraw/zinc/11/09/15/1073110915.db2.gz LLSDQVMSKSSIQO-UHFFFAOYSA-N 1 2 447.602 -0.823 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCCN(CC)S(C)(=O)=O)CC1 ZINC000551859493 1073110910 /nfs/dbraw/zinc/11/09/10/1073110910.db2.gz LLSDQVMSKSSIQO-UHFFFAOYSA-N 1 2 447.602 -0.823 20 0 IBADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc21 ZINC000552159958 1073195170 /nfs/dbraw/zinc/19/51/70/1073195170.db2.gz RCLLFJUIKDCWHZ-OAHLLOKOSA-N 1 2 437.522 -0.628 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000552162705 1073195198 /nfs/dbraw/zinc/19/51/98/1073195198.db2.gz CPLUQKOUKAATMW-CVEARBPZSA-N 1 2 442.607 -0.356 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000552162706 1073195076 /nfs/dbraw/zinc/19/50/76/1073195076.db2.gz CPLUQKOUKAATMW-HOTGVXAUSA-N 1 2 442.607 -0.356 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000552162707 1073195217 /nfs/dbraw/zinc/19/52/17/1073195217.db2.gz CPLUQKOUKAATMW-HZPDHXFCSA-N 1 2 442.607 -0.356 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000552162708 1073195096 /nfs/dbraw/zinc/19/50/96/1073195096.db2.gz CPLUQKOUKAATMW-JKSUJKDBSA-N 1 2 442.607 -0.356 20 0 IBADLO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552164460 1073196554 /nfs/dbraw/zinc/19/65/54/1073196554.db2.gz DJCAGXBBLGPAME-INIZCTEOSA-N 1 2 430.509 -0.636 20 0 IBADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552164461 1073196531 /nfs/dbraw/zinc/19/65/31/1073196531.db2.gz DJCAGXBBLGPAME-MRXNPFEDSA-N 1 2 430.509 -0.636 20 0 IBADLO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552164499 1073196365 /nfs/dbraw/zinc/19/63/65/1073196365.db2.gz FJHRXQRKDGXICE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552164499 1073196359 /nfs/dbraw/zinc/19/63/59/1073196359.db2.gz FJHRXQRKDGXICE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552164500 1073196566 /nfs/dbraw/zinc/19/65/66/1073196566.db2.gz FJHRXQRKDGXICE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552164500 1073196564 /nfs/dbraw/zinc/19/65/64/1073196564.db2.gz FJHRXQRKDGXICE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168434 1073195598 /nfs/dbraw/zinc/19/55/98/1073195598.db2.gz DMSHQDAIOISNMG-KBPBESRZSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168434 1073195596 /nfs/dbraw/zinc/19/55/96/1073195596.db2.gz DMSHQDAIOISNMG-KBPBESRZSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168435 1073195517 /nfs/dbraw/zinc/19/55/17/1073195517.db2.gz DMSHQDAIOISNMG-KGLIPLIRSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168435 1073195512 /nfs/dbraw/zinc/19/55/12/1073195512.db2.gz DMSHQDAIOISNMG-KGLIPLIRSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168436 1073195628 /nfs/dbraw/zinc/19/56/28/1073195628.db2.gz DMSHQDAIOISNMG-UONOGXRCSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168436 1073195622 /nfs/dbraw/zinc/19/56/22/1073195622.db2.gz DMSHQDAIOISNMG-UONOGXRCSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168437 1073195585 /nfs/dbraw/zinc/19/55/85/1073195585.db2.gz DMSHQDAIOISNMG-ZIAGYGMSSA-N 1 2 440.522 -0.547 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000552168437 1073195579 /nfs/dbraw/zinc/19/55/79/1073195579.db2.gz DMSHQDAIOISNMG-ZIAGYGMSSA-N 1 2 440.522 -0.547 20 0 IBADLO CNC(=O)C1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000552174833 1073195996 /nfs/dbraw/zinc/19/59/96/1073195996.db2.gz XSBOWIAZLWSOLL-UHFFFAOYSA-N 1 2 444.536 -0.343 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000552196594 1073197033 /nfs/dbraw/zinc/19/70/33/1073197033.db2.gz LIXNXPOWOOUGEM-KRWDZBQOSA-N 1 2 433.509 -0.456 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000552196595 1073197066 /nfs/dbraw/zinc/19/70/66/1073197066.db2.gz LIXNXPOWOOUGEM-QGZVFWFLSA-N 1 2 433.509 -0.456 20 0 IBADLO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000552196760 1073197015 /nfs/dbraw/zinc/19/70/15/1073197015.db2.gz RBXJHXZIYUGENX-GOSISDBHSA-N 1 2 447.536 -0.079 20 0 IBADLO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000552196761 1073196926 /nfs/dbraw/zinc/19/69/26/1073196926.db2.gz RBXJHXZIYUGENX-SFHVURJKSA-N 1 2 447.536 -0.079 20 0 IBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000552197656 1073196986 /nfs/dbraw/zinc/19/69/86/1073196986.db2.gz WARUBMUKQPOHLP-JOCHJYFZSA-N 1 2 432.521 -0.002 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000552197657 1073196946 /nfs/dbraw/zinc/19/69/46/1073196946.db2.gz WARUBMUKQPOHLP-QFIPXVFZSA-N 1 2 432.521 -0.002 20 0 IBADLO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000552198481 1073197059 /nfs/dbraw/zinc/19/70/59/1073197059.db2.gz XMSAQJIXRCZISM-KRWDZBQOSA-N 1 2 447.536 -0.079 20 0 IBADLO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000552198482 1073197592 /nfs/dbraw/zinc/19/75/92/1073197592.db2.gz XMSAQJIXRCZISM-QGZVFWFLSA-N 1 2 447.536 -0.079 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)CC2)CC1 ZINC000552240164 1073198571 /nfs/dbraw/zinc/19/85/71/1073198571.db2.gz FACLSCOPGOCNRZ-INIZCTEOSA-N 1 2 442.538 -0.735 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)CC1 ZINC000552240165 1073198557 /nfs/dbraw/zinc/19/85/57/1073198557.db2.gz FACLSCOPGOCNRZ-MRXNPFEDSA-N 1 2 442.538 -0.735 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000552299380 1073200453 /nfs/dbraw/zinc/20/04/53/1073200453.db2.gz BKKINLLXTJLJQT-DOTOQJQBSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000552299381 1073200467 /nfs/dbraw/zinc/20/04/67/1073200467.db2.gz BKKINLLXTJLJQT-NVXWUHKLSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000552299382 1073200338 /nfs/dbraw/zinc/20/03/38/1073200338.db2.gz BKKINLLXTJLJQT-RDJZCZTQSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000552299383 1073200361 /nfs/dbraw/zinc/20/03/61/1073200361.db2.gz BKKINLLXTJLJQT-WBVHZDCISA-N 1 2 436.534 -0.258 20 0 IBADLO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000552316252 1073200748 /nfs/dbraw/zinc/20/07/48/1073200748.db2.gz INDFZKVDTZKYIX-UHFFFAOYSA-N 1 2 430.553 -0.227 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2)CC1 ZINC000552445414 1073205781 /nfs/dbraw/zinc/20/57/81/1073205781.db2.gz PTZFURUXCUMEOQ-IBGZPJMESA-N 1 2 443.548 -0.368 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000552446628 1073206237 /nfs/dbraw/zinc/20/62/37/1073206237.db2.gz NTHYAYGXKBDTIA-MOPGFXCFSA-N 1 2 448.520 -0.428 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000552446629 1073206269 /nfs/dbraw/zinc/20/62/69/1073206269.db2.gz NTHYAYGXKBDTIA-OALUTQOASA-N 1 2 448.520 -0.428 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000552446630 1073206287 /nfs/dbraw/zinc/20/62/87/1073206287.db2.gz NTHYAYGXKBDTIA-RBUKOAKNSA-N 1 2 448.520 -0.428 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000552446631 1073206115 /nfs/dbraw/zinc/20/61/15/1073206115.db2.gz NTHYAYGXKBDTIA-RTBURBONSA-N 1 2 448.520 -0.428 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000552465391 1073207138 /nfs/dbraw/zinc/20/71/38/1073207138.db2.gz GBDGWVWNHNVCBI-INIZCTEOSA-N 1 2 431.493 -0.637 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000552465393 1073207204 /nfs/dbraw/zinc/20/72/04/1073207204.db2.gz GBDGWVWNHNVCBI-MRXNPFEDSA-N 1 2 431.493 -0.637 20 0 IBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000552487559 1073208190 /nfs/dbraw/zinc/20/81/90/1073208190.db2.gz PEEOBRWEIHRREY-CVEARBPZSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000552487559 1073208186 /nfs/dbraw/zinc/20/81/86/1073208186.db2.gz PEEOBRWEIHRREY-CVEARBPZSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000552487560 1073208177 /nfs/dbraw/zinc/20/81/77/1073208177.db2.gz PEEOBRWEIHRREY-HOTGVXAUSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000552487560 1073208173 /nfs/dbraw/zinc/20/81/73/1073208173.db2.gz PEEOBRWEIHRREY-HOTGVXAUSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000552487561 1073208156 /nfs/dbraw/zinc/20/81/56/1073208156.db2.gz PEEOBRWEIHRREY-HZPDHXFCSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000552487561 1073208150 /nfs/dbraw/zinc/20/81/50/1073208150.db2.gz PEEOBRWEIHRREY-HZPDHXFCSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000552487562 1073208056 /nfs/dbraw/zinc/20/80/56/1073208056.db2.gz PEEOBRWEIHRREY-JKSUJKDBSA-N 1 2 443.512 -0.805 20 0 IBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000552487562 1073208049 /nfs/dbraw/zinc/20/80/49/1073208049.db2.gz PEEOBRWEIHRREY-JKSUJKDBSA-N 1 2 443.512 -0.805 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000552508777 1073209157 /nfs/dbraw/zinc/20/91/57/1073209157.db2.gz ZFPSFYACPDVTRZ-UHFFFAOYSA-N 1 2 446.548 -0.005 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000552510818 1073209163 /nfs/dbraw/zinc/20/91/63/1073209163.db2.gz DTNMZAWVQNAKOG-IBGZPJMESA-N 1 2 432.521 -0.443 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000552510819 1073209099 /nfs/dbraw/zinc/20/90/99/1073209099.db2.gz DTNMZAWVQNAKOG-LJQANCHMSA-N 1 2 432.521 -0.443 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000552511255 1073209115 /nfs/dbraw/zinc/20/91/15/1073209115.db2.gz NRTPOYZZEMKDMY-GOSISDBHSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000552511256 1073208987 /nfs/dbraw/zinc/20/89/87/1073208987.db2.gz NRTPOYZZEMKDMY-SFHVURJKSA-N 1 2 434.537 -0.149 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000552513012 1073209126 /nfs/dbraw/zinc/20/91/26/1073209126.db2.gz CUWZFCXFWLOQNE-UHFFFAOYSA-N 1 2 448.520 -0.669 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000552513044 1073209175 /nfs/dbraw/zinc/20/91/75/1073209175.db2.gz DNBATDXAESBDNJ-FQEVSTJZSA-N 1 2 448.520 -0.623 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000552513045 1073209139 /nfs/dbraw/zinc/20/91/39/1073209139.db2.gz DNBATDXAESBDNJ-HXUWFJFHSA-N 1 2 448.520 -0.623 20 0 IBADLO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000552513209 1073209166 /nfs/dbraw/zinc/20/91/66/1073209166.db2.gz KEFDGBKWSOXHSN-UHFFFAOYSA-N 1 2 435.525 -0.257 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000552514711 1073209150 /nfs/dbraw/zinc/20/91/50/1073209150.db2.gz LKYHUVHFOCXJEH-UHFFFAOYSA-N 1 2 448.520 -0.669 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN(CC(N)=O)CC3)CC2)cc1OC ZINC000552579575 1073213357 /nfs/dbraw/zinc/21/33/57/1073213357.db2.gz MBXYPHXFHOLWAH-UHFFFAOYSA-N 1 2 433.553 -0.241 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000552580743 1073214543 /nfs/dbraw/zinc/21/45/43/1073214543.db2.gz AUHQQCHVYNBMOB-HNNXBMFYSA-N 1 2 436.484 -0.304 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000552580743 1073214536 /nfs/dbraw/zinc/21/45/36/1073214536.db2.gz AUHQQCHVYNBMOB-HNNXBMFYSA-N 1 2 436.484 -0.304 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000552580744 1073214474 /nfs/dbraw/zinc/21/44/74/1073214474.db2.gz AUHQQCHVYNBMOB-OAHLLOKOSA-N 1 2 436.484 -0.304 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000552580744 1073214469 /nfs/dbraw/zinc/21/44/69/1073214469.db2.gz AUHQQCHVYNBMOB-OAHLLOKOSA-N 1 2 436.484 -0.304 20 0 IBADLO CCCN1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000552580839 1073213845 /nfs/dbraw/zinc/21/38/45/1073213845.db2.gz CIMUFKAMDZAJED-UHFFFAOYSA-N 1 2 444.536 -0.293 20 0 IBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552581045 1073214040 /nfs/dbraw/zinc/21/40/40/1073214040.db2.gz HJQVLTQDLJBHHH-KRWDZBQOSA-N 1 2 444.536 -0.246 20 0 IBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552581046 1073213881 /nfs/dbraw/zinc/21/38/81/1073213881.db2.gz HJQVLTQDLJBHHH-QGZVFWFLSA-N 1 2 444.536 -0.246 20 0 IBADLO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552581239 1073213807 /nfs/dbraw/zinc/21/38/07/1073213807.db2.gz NPLXDRNAOGGNNC-INIZCTEOSA-N 1 2 445.524 -0.857 20 0 IBADLO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552581240 1073213995 /nfs/dbraw/zinc/21/39/95/1073213995.db2.gz NPLXDRNAOGGNNC-MRXNPFEDSA-N 1 2 445.524 -0.857 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581282 1073213922 /nfs/dbraw/zinc/21/39/22/1073213922.db2.gz PGMRHDLJSAJWRO-DLBZAZTESA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581283 1073213793 /nfs/dbraw/zinc/21/37/93/1073213793.db2.gz PGMRHDLJSAJWRO-IAGOWNOFSA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581284 1073214057 /nfs/dbraw/zinc/21/40/57/1073214057.db2.gz PGMRHDLJSAJWRO-IRXDYDNUSA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581285 1073213905 /nfs/dbraw/zinc/21/39/05/1073213905.db2.gz PGMRHDLJSAJWRO-SJORKVTESA-N 1 2 442.520 -0.494 20 0 IBADLO CCN1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000552581384 1073213955 /nfs/dbraw/zinc/21/39/55/1073213955.db2.gz SVIRGADTAAXVKU-UHFFFAOYSA-N 1 2 430.509 -0.683 20 0 IBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581454 1073213943 /nfs/dbraw/zinc/21/39/43/1073213943.db2.gz VZPDTXMIRYBMQY-DLBZAZTESA-N 1 2 433.509 -0.453 20 0 IBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581455 1073214092 /nfs/dbraw/zinc/21/40/92/1073214092.db2.gz VZPDTXMIRYBMQY-IAGOWNOFSA-N 1 2 433.509 -0.453 20 0 IBADLO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581456 1073213896 /nfs/dbraw/zinc/21/38/96/1073213896.db2.gz VZPDTXMIRYBMQY-IRXDYDNUSA-N 1 2 433.509 -0.453 20 0 IBADLO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581457 1073213971 /nfs/dbraw/zinc/21/39/71/1073213971.db2.gz VZPDTXMIRYBMQY-SJORKVTESA-N 1 2 433.509 -0.453 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCN1CCCCC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581465 1073214030 /nfs/dbraw/zinc/21/40/30/1073214030.db2.gz WFNHESYRRQKHAJ-UHFFFAOYSA-N 1 2 444.536 -0.245 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552582441 1073214502 /nfs/dbraw/zinc/21/45/02/1073214502.db2.gz LQKQBKNUPBTPMT-INIZCTEOSA-N 1 2 440.508 -0.956 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552582442 1073214454 /nfs/dbraw/zinc/21/44/54/1073214454.db2.gz LQKQBKNUPBTPMT-MRXNPFEDSA-N 1 2 440.508 -0.956 20 0 IBADLO CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000552584327 1073214972 /nfs/dbraw/zinc/21/49/72/1073214972.db2.gz ZZIFIKGFNLDADN-UHFFFAOYSA-N 1 2 442.524 -0.336 20 0 IBADLO CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000552584327 1073214967 /nfs/dbraw/zinc/21/49/67/1073214967.db2.gz ZZIFIKGFNLDADN-UHFFFAOYSA-N 1 2 442.524 -0.336 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552590220 1073215494 /nfs/dbraw/zinc/21/54/94/1073215494.db2.gz BOCCOEASXYCTMH-NRFANRHFSA-N 1 2 430.509 -0.779 20 0 IBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552590221 1073215338 /nfs/dbraw/zinc/21/53/38/1073215338.db2.gz BOCCOEASXYCTMH-OAQYLSRUSA-N 1 2 430.509 -0.779 20 0 IBADLO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590875 1073215954 /nfs/dbraw/zinc/21/59/54/1073215954.db2.gz ZMUPLSMCLFYQGP-INIZCTEOSA-N 1 2 446.552 -0.002 20 0 IBADLO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590876 1073216020 /nfs/dbraw/zinc/21/60/20/1073216020.db2.gz ZMUPLSMCLFYQGP-MRXNPFEDSA-N 1 2 446.552 -0.002 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591572 1073215888 /nfs/dbraw/zinc/21/58/88/1073215888.db2.gz DUWHMLFHGKBYKE-CVEARBPZSA-N 1 2 430.509 -0.733 20 0 IBADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591573 1073215875 /nfs/dbraw/zinc/21/58/75/1073215875.db2.gz DUWHMLFHGKBYKE-HOTGVXAUSA-N 1 2 430.509 -0.733 20 0 IBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591574 1073215934 /nfs/dbraw/zinc/21/59/34/1073215934.db2.gz DUWHMLFHGKBYKE-HZPDHXFCSA-N 1 2 430.509 -0.733 20 0 IBADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591575 1073216000 /nfs/dbraw/zinc/21/60/00/1073216000.db2.gz DUWHMLFHGKBYKE-JKSUJKDBSA-N 1 2 430.509 -0.733 20 0 IBADLO CC(C)N1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000552591953 1073216347 /nfs/dbraw/zinc/21/63/47/1073216347.db2.gz PKCVQJHEVJDVFX-INIZCTEOSA-N 1 2 430.509 -0.638 20 0 IBADLO CC(C)N1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000552591954 1073216314 /nfs/dbraw/zinc/21/63/14/1073216314.db2.gz PKCVQJHEVJDVFX-MRXNPFEDSA-N 1 2 430.509 -0.638 20 0 IBADLO CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000552592063 1073215850 /nfs/dbraw/zinc/21/58/50/1073215850.db2.gz STLRXSJQHGMBRL-INIZCTEOSA-N 1 2 430.509 -0.684 20 0 IBADLO CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000552592064 1073215985 /nfs/dbraw/zinc/21/59/85/1073215985.db2.gz STLRXSJQHGMBRL-MRXNPFEDSA-N 1 2 430.509 -0.684 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000552595006 1073216304 /nfs/dbraw/zinc/21/63/04/1073216304.db2.gz JWHLYUBSLCIIMH-INIZCTEOSA-N 1 2 442.520 -0.446 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000552595007 1073216335 /nfs/dbraw/zinc/21/63/35/1073216335.db2.gz JWHLYUBSLCIIMH-MRXNPFEDSA-N 1 2 442.520 -0.446 20 0 IBADLO Cc1nn(C)c(=O)c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC000552624804 1073218881 /nfs/dbraw/zinc/21/88/81/1073218881.db2.gz YNWLDIMYXWHDBZ-INIZCTEOSA-N 1 2 441.536 -0.026 20 0 IBADLO Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC000552624805 1073218923 /nfs/dbraw/zinc/21/89/23/1073218923.db2.gz YNWLDIMYXWHDBZ-MRXNPFEDSA-N 1 2 441.536 -0.026 20 0 IBADLO COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000552624866 1073218947 /nfs/dbraw/zinc/21/89/47/1073218947.db2.gz AMRVOKMPZIAXPQ-GGPKGHCWSA-N 1 2 437.537 -0.016 20 0 IBADLO COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000552624867 1073218822 /nfs/dbraw/zinc/21/88/22/1073218822.db2.gz AMRVOKMPZIAXPQ-NSHGMRRFSA-N 1 2 437.537 -0.016 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1C ZINC000552627965 1073219264 /nfs/dbraw/zinc/21/92/64/1073219264.db2.gz OMRUKMQPMKBVIP-JXXFODFXSA-N 1 2 432.525 -0.621 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC(=O)N1C ZINC000552627966 1073219199 /nfs/dbraw/zinc/21/91/99/1073219199.db2.gz OMRUKMQPMKBVIP-RZQQEMMASA-N 1 2 432.525 -0.621 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552635030 1073218582 /nfs/dbraw/zinc/21/85/82/1073218582.db2.gz VTEZAMOCBYHZTJ-GFCCVEGCSA-N 1 2 440.430 -0.235 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552635031 1073218434 /nfs/dbraw/zinc/21/84/34/1073218434.db2.gz VTEZAMOCBYHZTJ-LBPRGKRZSA-N 1 2 440.430 -0.235 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCN1CC(C)(C)O ZINC000552663446 1073220369 /nfs/dbraw/zinc/22/03/69/1073220369.db2.gz BETCPHBAOKFDCH-KRWDZBQOSA-N 1 2 432.569 -0.247 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCN1CC(C)(C)O ZINC000552663447 1073220422 /nfs/dbraw/zinc/22/04/22/1073220422.db2.gz BETCPHBAOKFDCH-QGZVFWFLSA-N 1 2 432.569 -0.247 20 0 IBADLO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664109 1073220465 /nfs/dbraw/zinc/22/04/65/1073220465.db2.gz TXBNQPPVMKGEOJ-KRWDZBQOSA-N 1 2 432.569 -0.247 20 0 IBADLO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664110 1073220256 /nfs/dbraw/zinc/22/02/56/1073220256.db2.gz TXBNQPPVMKGEOJ-QGZVFWFLSA-N 1 2 432.569 -0.247 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000552664947 1073220800 /nfs/dbraw/zinc/22/08/00/1073220800.db2.gz HOEMVXCXTNQUKF-KBPBESRZSA-N 1 2 443.526 -0.496 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000552664948 1073220786 /nfs/dbraw/zinc/22/07/86/1073220786.db2.gz HOEMVXCXTNQUKF-KGLIPLIRSA-N 1 2 443.526 -0.496 20 0 IBADLO C[C@H]([C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCOCC1 ZINC000552664949 1073220864 /nfs/dbraw/zinc/22/08/64/1073220864.db2.gz HOEMVXCXTNQUKF-UONOGXRCSA-N 1 2 443.526 -0.496 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000552664950 1073220770 /nfs/dbraw/zinc/22/07/70/1073220770.db2.gz HOEMVXCXTNQUKF-ZIAGYGMSSA-N 1 2 443.526 -0.496 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCOC[C@@H]1CCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552694196 1073223800 /nfs/dbraw/zinc/22/38/00/1073223800.db2.gz VGTNIZWGWWAKSN-KRWDZBQOSA-N 1 2 433.509 -0.452 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCOC[C@H]1CCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552694197 1073223769 /nfs/dbraw/zinc/22/37/69/1073223769.db2.gz VGTNIZWGWWAKSN-QGZVFWFLSA-N 1 2 433.509 -0.452 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000552700155 1073221883 /nfs/dbraw/zinc/22/18/83/1073221883.db2.gz RQZARVDPEMMAAZ-IBGZPJMESA-N 1 2 431.537 -0.088 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000552700156 1073222190 /nfs/dbraw/zinc/22/21/90/1073222190.db2.gz RQZARVDPEMMAAZ-LJQANCHMSA-N 1 2 431.537 -0.088 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@@H](C)C1 ZINC000552701075 1073222754 /nfs/dbraw/zinc/22/27/54/1073222754.db2.gz SVHCMXSPFTYGEH-INIZCTEOSA-N 1 2 433.509 -0.706 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@@H](C)C1 ZINC000552701075 1073222748 /nfs/dbraw/zinc/22/27/48/1073222748.db2.gz SVHCMXSPFTYGEH-INIZCTEOSA-N 1 2 433.509 -0.706 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@H](C)C1 ZINC000552701076 1073222715 /nfs/dbraw/zinc/22/27/15/1073222715.db2.gz SVHCMXSPFTYGEH-MRXNPFEDSA-N 1 2 433.509 -0.706 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@H](C)C1 ZINC000552701076 1073222708 /nfs/dbraw/zinc/22/27/08/1073222708.db2.gz SVHCMXSPFTYGEH-MRXNPFEDSA-N 1 2 433.509 -0.706 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000552701206 1073222826 /nfs/dbraw/zinc/22/28/26/1073222826.db2.gz XRLFUCDCGHLSNS-UHFFFAOYSA-N 1 2 440.508 -0.239 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000552701206 1073222820 /nfs/dbraw/zinc/22/28/20/1073222820.db2.gz XRLFUCDCGHLSNS-UHFFFAOYSA-N 1 2 440.508 -0.239 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000552790715 1073227256 /nfs/dbraw/zinc/22/72/56/1073227256.db2.gz RMLYKVOHKPILNI-HNNXBMFYSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000552790715 1073227249 /nfs/dbraw/zinc/22/72/49/1073227249.db2.gz RMLYKVOHKPILNI-HNNXBMFYSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)[C@H](C)C1 ZINC000552790716 1073227213 /nfs/dbraw/zinc/22/72/13/1073227213.db2.gz RMLYKVOHKPILNI-OAHLLOKOSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)[C@H](C)C1 ZINC000552790716 1073227205 /nfs/dbraw/zinc/22/72/05/1073227205.db2.gz RMLYKVOHKPILNI-OAHLLOKOSA-N 1 2 439.534 -0.057 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552871611 1073232312 /nfs/dbraw/zinc/23/23/12/1073232312.db2.gz QZUMYXVGMCOXSD-UHFFFAOYSA-N 1 2 440.570 -0.894 20 0 IBADLO CC(C)Nc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(NCCO)[nH+]1 ZINC000552894614 1073234421 /nfs/dbraw/zinc/23/44/21/1073234421.db2.gz ANQZGWLPEMLRJK-UHFFFAOYSA-N 1 2 439.517 -0.410 20 0 IBADLO Cc1cccnc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552905821 1073236541 /nfs/dbraw/zinc/23/65/41/1073236541.db2.gz XQWMPWLVGHEWID-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1cccnc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552905821 1073236533 /nfs/dbraw/zinc/23/65/33/1073236533.db2.gz XQWMPWLVGHEWID-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000552915107 1073238103 /nfs/dbraw/zinc/23/81/03/1073238103.db2.gz HSQHZUYFISXLNT-LRAJWGHMSA-N 1 2 441.492 -0.147 20 0 IBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000552915107 1073238099 /nfs/dbraw/zinc/23/80/99/1073238099.db2.gz HSQHZUYFISXLNT-LRAJWGHMSA-N 1 2 441.492 -0.147 20 0 IBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000552915108 1073238074 /nfs/dbraw/zinc/23/80/74/1073238074.db2.gz HSQHZUYFISXLNT-VTJXTGGHSA-N 1 2 441.492 -0.147 20 0 IBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000552915108 1073238067 /nfs/dbraw/zinc/23/80/67/1073238067.db2.gz HSQHZUYFISXLNT-VTJXTGGHSA-N 1 2 441.492 -0.147 20 0 IBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000552924288 1073236524 /nfs/dbraw/zinc/23/65/24/1073236524.db2.gz CHVCXPSSRHVPSQ-UHFFFAOYSA-N 1 2 444.536 -0.437 20 0 IBADLO CC1(C)COCCN1CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924665 1073238560 /nfs/dbraw/zinc/23/85/60/1073238560.db2.gz LEJZMDWSVBWBEH-UHFFFAOYSA-N 1 2 446.552 -0.537 20 0 IBADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924953 1073237048 /nfs/dbraw/zinc/23/70/48/1073237048.db2.gz RBZRBIZJGRSIPI-DLBZAZTESA-N 1 2 433.509 -0.453 20 0 IBADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924954 1073237026 /nfs/dbraw/zinc/23/70/26/1073237026.db2.gz RBZRBIZJGRSIPI-IAGOWNOFSA-N 1 2 433.509 -0.453 20 0 IBADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924955 1073236921 /nfs/dbraw/zinc/23/69/21/1073236921.db2.gz RBZRBIZJGRSIPI-IRXDYDNUSA-N 1 2 433.509 -0.453 20 0 IBADLO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924956 1073236972 /nfs/dbraw/zinc/23/69/72/1073236972.db2.gz RBZRBIZJGRSIPI-SJORKVTESA-N 1 2 433.509 -0.453 20 0 IBADLO CCNC(=O)C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000552925115 1073237035 /nfs/dbraw/zinc/23/70/35/1073237035.db2.gz XCSYGGVNTLZTJD-UHFFFAOYSA-N 1 2 444.536 -0.341 20 0 IBADLO CCN(Cc1cn(C)nn1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552925604 1073236470 /nfs/dbraw/zinc/23/64/70/1073236470.db2.gz BJOVHQKECNKMPS-UHFFFAOYSA-N 1 2 428.497 -0.586 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552925845 1073236441 /nfs/dbraw/zinc/23/64/41/1073236441.db2.gz LIGGSUVLWBDYJS-GOSISDBHSA-N 1 2 443.426 -0.238 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552925846 1073236492 /nfs/dbraw/zinc/23/64/92/1073236492.db2.gz LIGGSUVLWBDYJS-SFHVURJKSA-N 1 2 443.426 -0.238 20 0 IBADLO Cc1cc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)nc(C(C)C)[nH+]1 ZINC000552925931 1073236962 /nfs/dbraw/zinc/23/69/62/1073236962.db2.gz OHSOJMHFUOZBSI-UHFFFAOYSA-N 1 2 440.508 -0.107 20 0 IBADLO CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000552927243 1073237450 /nfs/dbraw/zinc/23/74/50/1073237450.db2.gz MMDLPPDJDPZKIT-UHFFFAOYSA-N 1 2 428.497 -0.727 20 0 IBADLO CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000552927243 1073237443 /nfs/dbraw/zinc/23/74/43/1073237443.db2.gz MMDLPPDJDPZKIT-UHFFFAOYSA-N 1 2 428.497 -0.727 20 0 IBADLO NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552932895 1073239739 /nfs/dbraw/zinc/23/97/39/1073239739.db2.gz RXYMVUSSPZLDIT-INIZCTEOSA-N 1 2 430.509 -0.650 20 0 IBADLO NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552932896 1073239714 /nfs/dbraw/zinc/23/97/14/1073239714.db2.gz RXYMVUSSPZLDIT-MRXNPFEDSA-N 1 2 430.509 -0.650 20 0 IBADLO COCCOC[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552935346 1073240951 /nfs/dbraw/zinc/24/09/51/1073240951.db2.gz JZGNNVRXLLAAKG-GOSISDBHSA-N 1 2 447.536 -0.252 20 0 IBADLO COCCOC[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552935347 1073240992 /nfs/dbraw/zinc/24/09/92/1073240992.db2.gz JZGNNVRXLLAAKG-SFHVURJKSA-N 1 2 447.536 -0.252 20 0 IBADLO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935358 1073240979 /nfs/dbraw/zinc/24/09/79/1073240979.db2.gz KJFBTKUGJFZQFY-INIZCTEOSA-N 1 2 440.508 -0.271 20 0 IBADLO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935359 1073240842 /nfs/dbraw/zinc/24/08/42/1073240842.db2.gz KJFBTKUGJFZQFY-MRXNPFEDSA-N 1 2 440.508 -0.271 20 0 IBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935426 1073240791 /nfs/dbraw/zinc/24/07/91/1073240791.db2.gz MJDVNXVYQJZIAJ-KRWDZBQOSA-N 1 2 444.536 -0.294 20 0 IBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935427 1073240910 /nfs/dbraw/zinc/24/09/10/1073240910.db2.gz MJDVNXVYQJZIAJ-QGZVFWFLSA-N 1 2 444.536 -0.294 20 0 IBADLO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935546 1073240774 /nfs/dbraw/zinc/24/07/74/1073240774.db2.gz PTFDRQUEJNKPAX-CYBMUJFWSA-N 1 2 431.415 -0.382 20 0 IBADLO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935547 1073240967 /nfs/dbraw/zinc/24/09/67/1073240967.db2.gz PTFDRQUEJNKPAX-ZDUSSCGKSA-N 1 2 431.415 -0.382 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)N1CCOCC1 ZINC000552935605 1073240268 /nfs/dbraw/zinc/24/02/68/1073240268.db2.gz RYAPCZZKCKZIJO-MSOLQXFVSA-N 1 2 446.552 -0.538 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)N1CCOCC1 ZINC000552935606 1073240282 /nfs/dbraw/zinc/24/02/82/1073240282.db2.gz RYAPCZZKCKZIJO-QZTJIDSGSA-N 1 2 446.552 -0.538 20 0 IBADLO C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)N1CCOCC1 ZINC000552935607 1073240257 /nfs/dbraw/zinc/24/02/57/1073240257.db2.gz RYAPCZZKCKZIJO-ROUUACIJSA-N 1 2 446.552 -0.538 20 0 IBADLO C[C@H]([C@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000552935608 1073240738 /nfs/dbraw/zinc/24/07/38/1073240738.db2.gz RYAPCZZKCKZIJO-ZWKOTPCHSA-N 1 2 446.552 -0.538 20 0 IBADLO CC(C)(C)C(=O)NCCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935610 1073240885 /nfs/dbraw/zinc/24/08/85/1073240885.db2.gz SBNMVVKRWIAIRP-UHFFFAOYSA-N 1 2 432.525 -0.485 20 0 IBADLO C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935762 1073240366 /nfs/dbraw/zinc/24/03/66/1073240366.db2.gz XXYXNUMHBCEAHJ-HNNXBMFYSA-N 1 2 426.481 -0.569 20 0 IBADLO C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935763 1073240201 /nfs/dbraw/zinc/24/02/01/1073240201.db2.gz XXYXNUMHBCEAHJ-OAHLLOKOSA-N 1 2 426.481 -0.569 20 0 IBADLO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552938230 1073238576 /nfs/dbraw/zinc/23/85/76/1073238576.db2.gz CMLAZKFGMUMXDT-NRFANRHFSA-N 1 2 431.493 -0.352 20 0 IBADLO COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552938231 1073238481 /nfs/dbraw/zinc/23/84/81/1073238481.db2.gz CMLAZKFGMUMXDT-OAQYLSRUSA-N 1 2 431.493 -0.352 20 0 IBADLO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000552938722 1073241481 /nfs/dbraw/zinc/24/14/81/1073241481.db2.gz PSNAPKOALSDZAC-HKUYNNGSSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1cccc(N2CC[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000552938723 1073241329 /nfs/dbraw/zinc/24/13/29/1073241329.db2.gz PSNAPKOALSDZAC-IEBWSBKVSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1cccc(N2CC[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000552938724 1073241277 /nfs/dbraw/zinc/24/12/77/1073241277.db2.gz PSNAPKOALSDZAC-MJGOQNOKSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000552938725 1073241251 /nfs/dbraw/zinc/24/12/51/1073241251.db2.gz PSNAPKOALSDZAC-PKOBYXMFSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000552938978 1073238607 /nfs/dbraw/zinc/23/86/07/1073238607.db2.gz VZHSXHGOOHIZNL-MSOLQXFVSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000552938979 1073238519 /nfs/dbraw/zinc/23/85/19/1073238519.db2.gz VZHSXHGOOHIZNL-QZTJIDSGSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000552938980 1073238469 /nfs/dbraw/zinc/23/84/69/1073238469.db2.gz VZHSXHGOOHIZNL-ROUUACIJSA-N 1 2 434.537 -0.211 20 0 IBADLO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000552938981 1073238626 /nfs/dbraw/zinc/23/86/26/1073238626.db2.gz VZHSXHGOOHIZNL-ZWKOTPCHSA-N 1 2 434.537 -0.211 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552939122 1073238635 /nfs/dbraw/zinc/23/86/35/1073238635.db2.gz ZFGPLDBPZXVEPI-UHFFFAOYSA-N 1 2 428.493 -0.930 20 0 IBADLO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552968291 1073241314 /nfs/dbraw/zinc/24/13/14/1073241314.db2.gz XNAPFBQAKABJKF-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552968291 1073241307 /nfs/dbraw/zinc/24/13/07/1073241307.db2.gz XNAPFBQAKABJKF-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552968292 1073241535 /nfs/dbraw/zinc/24/15/35/1073241535.db2.gz XNAPFBQAKABJKF-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552968292 1073241532 /nfs/dbraw/zinc/24/15/32/1073241532.db2.gz XNAPFBQAKABJKF-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552968293 1073241235 /nfs/dbraw/zinc/24/12/35/1073241235.db2.gz XNAPFBQAKABJKF-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552968293 1073241230 /nfs/dbraw/zinc/24/12/30/1073241230.db2.gz XNAPFBQAKABJKF-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552968294 1073241351 /nfs/dbraw/zinc/24/13/51/1073241351.db2.gz XNAPFBQAKABJKF-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552968294 1073241343 /nfs/dbraw/zinc/24/13/43/1073241343.db2.gz XNAPFBQAKABJKF-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000552968738 1073241544 /nfs/dbraw/zinc/24/15/44/1073241544.db2.gz VJUNJYDCOCNWEI-INIZCTEOSA-N 1 2 440.508 -0.732 20 0 IBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000552968739 1073241454 /nfs/dbraw/zinc/24/14/54/1073241454.db2.gz VJUNJYDCOCNWEI-MRXNPFEDSA-N 1 2 440.508 -0.732 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CC(CO)C3)cc2)CC1 ZINC000552976224 1073243179 /nfs/dbraw/zinc/24/31/79/1073243179.db2.gz PENVIDRYPFLMIJ-UHFFFAOYSA-N 1 2 432.521 -0.661 20 0 IBADLO Cc1ccc(OCC(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)cc1 ZINC000552998864 1073243940 /nfs/dbraw/zinc/24/39/40/1073243940.db2.gz PFWVCOWIFRAIDO-UHFFFAOYSA-N 1 2 429.525 -0.024 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000553004959 1073243871 /nfs/dbraw/zinc/24/38/71/1073243871.db2.gz RYUSNXUQGHTNPN-UHFFFAOYSA-N 1 2 442.524 -0.175 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(N)(=O)=O)C3)[nH+]c3cnccc32)C1 ZINC000553045122 1073246187 /nfs/dbraw/zinc/24/61/87/1073246187.db2.gz XYOYMRFPOBTXTL-NEPJUHHUSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(N)(=O)=O)C3)c3ccncc3[nH+]2)C1 ZINC000553045123 1073246895 /nfs/dbraw/zinc/24/68/95/1073246895.db2.gz XYOYMRFPOBTXTL-NWDGAFQWSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(c2cc(N3CC[C@H](S(N)(=O)=O)C3)c3ccncc3[nH+]2)C1 ZINC000553045124 1073246825 /nfs/dbraw/zinc/24/68/25/1073246825.db2.gz XYOYMRFPOBTXTL-RYUDHWBXSA-N 1 2 426.524 -0.636 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@@H](S(N)(=O)=O)C3)c3ccncc3[nH+]2)C1 ZINC000553045125 1073246791 /nfs/dbraw/zinc/24/67/91/1073246791.db2.gz XYOYMRFPOBTXTL-VXGBXAGGSA-N 1 2 426.524 -0.636 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)o1 ZINC000553069906 1073248743 /nfs/dbraw/zinc/24/87/43/1073248743.db2.gz WDXHKBMUBUFLRA-UHFFFAOYSA-N 1 2 446.445 -0.502 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000553078199 1073249652 /nfs/dbraw/zinc/24/96/52/1073249652.db2.gz YOWIZTVPMYVPIS-CYBMUJFWSA-N 1 2 428.486 -0.147 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000553078200 1073249570 /nfs/dbraw/zinc/24/95/70/1073249570.db2.gz YOWIZTVPMYVPIS-ZDUSSCGKSA-N 1 2 428.486 -0.147 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cn1C ZINC000553104033 1073250014 /nfs/dbraw/zinc/25/00/14/1073250014.db2.gz IIAOEPYCCYOSTJ-UHFFFAOYSA-N 1 2 431.478 -0.152 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000553122870 1073251004 /nfs/dbraw/zinc/25/10/04/1073251004.db2.gz QAPBLNXTTHIOSO-UHFFFAOYSA-N 1 2 430.509 -0.179 20 0 IBADLO O=C(CO)N1CCN(c2cc(N3CCN(C(=O)CO)CC3)[nH+]c(-c3ccccc3)n2)CC1 ZINC000553145000 1073251979 /nfs/dbraw/zinc/25/19/79/1073251979.db2.gz NVOMLTPAELCATG-UHFFFAOYSA-N 1 2 440.504 -0.575 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000553162786 1073254949 /nfs/dbraw/zinc/25/49/49/1073254949.db2.gz QSXLETRSNHZYRK-CHWSQXEVSA-N 1 2 444.476 -0.894 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000553162787 1073254838 /nfs/dbraw/zinc/25/48/38/1073254838.db2.gz QSXLETRSNHZYRK-OLZOCXBDSA-N 1 2 444.476 -0.894 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000553162788 1073254964 /nfs/dbraw/zinc/25/49/64/1073254964.db2.gz QSXLETRSNHZYRK-QWHCGFSZSA-N 1 2 444.476 -0.894 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000553162789 1073254983 /nfs/dbraw/zinc/25/49/83/1073254983.db2.gz QSXLETRSNHZYRK-STQMWFEESA-N 1 2 444.476 -0.894 20 0 IBADLO CC(C)Nc1nc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000553246032 1073259505 /nfs/dbraw/zinc/25/95/05/1073259505.db2.gz HSCGZPIJURMCJG-UHFFFAOYSA-N 1 2 435.554 -0.113 20 0 IBADLO CNC(=O)CN1CCN(c2cc(C3CC3)[nH+]c(N3CCN(CC(=O)NC)CC3)n2)CC1 ZINC000553251700 1073260078 /nfs/dbraw/zinc/26/00/78/1073260078.db2.gz FYWNEXHKBXYHNE-UHFFFAOYSA-N 1 2 430.557 -0.910 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000553277301 1073261726 /nfs/dbraw/zinc/26/17/26/1073261726.db2.gz HNFPODMPJMNUHR-CEXWTWQISA-N 1 2 432.569 -0.066 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000553277302 1073261690 /nfs/dbraw/zinc/26/16/90/1073261690.db2.gz HNFPODMPJMNUHR-GUDVDZBRSA-N 1 2 432.569 -0.066 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000553277303 1073261751 /nfs/dbraw/zinc/26/17/51/1073261751.db2.gz HNFPODMPJMNUHR-QRVBRYPASA-N 1 2 432.569 -0.066 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000553277304 1073261518 /nfs/dbraw/zinc/26/15/18/1073261518.db2.gz HNFPODMPJMNUHR-QYZOEREBSA-N 1 2 432.569 -0.066 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H](C)N1CCOCC1 ZINC000553278889 1073261549 /nfs/dbraw/zinc/26/15/49/1073261549.db2.gz HRYIFHFADJZTBD-CABCVRRESA-N 1 2 430.513 -0.763 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H](C)N1CCOCC1 ZINC000553278890 1073261703 /nfs/dbraw/zinc/26/17/03/1073261703.db2.gz HRYIFHFADJZTBD-GJZGRUSLSA-N 1 2 430.513 -0.763 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)N1CCOCC1 ZINC000553278891 1073261430 /nfs/dbraw/zinc/26/14/30/1073261430.db2.gz HRYIFHFADJZTBD-HUUCEWRRSA-N 1 2 430.513 -0.763 20 0 IBADLO C[C@H]([C@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1CCOCC1 ZINC000553278892 1073262062 /nfs/dbraw/zinc/26/20/62/1073262062.db2.gz HRYIFHFADJZTBD-LSDHHAIUSA-N 1 2 430.513 -0.763 20 0 IBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000553282027 1073321557 /nfs/dbraw/zinc/32/15/57/1073321557.db2.gz IUEBVUAVECDZNE-UHFFFAOYSA-N 1 2 427.259 -0.121 20 0 IBADLO CCNc1nc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553307501 1073264171 /nfs/dbraw/zinc/26/41/71/1073264171.db2.gz SQNMASSZIFHJOU-UHFFFAOYSA-N 1 2 428.563 -0.365 20 0 IBADLO COc1cccc(CC(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c1 ZINC000553317594 1073265269 /nfs/dbraw/zinc/26/52/69/1073265269.db2.gz BFXYMTGBRYMEGW-UHFFFAOYSA-N 1 2 429.525 -0.160 20 0 IBADLO COc1cccc(C(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c1OC ZINC000553339077 1073265227 /nfs/dbraw/zinc/26/52/27/1073265227.db2.gz WELPATRXJBYFIV-UHFFFAOYSA-N 1 2 445.524 -0.081 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000553343534 1073266102 /nfs/dbraw/zinc/26/61/02/1073266102.db2.gz AMOHSSXYJWRWPD-HNNXBMFYSA-N 1 2 426.539 -0.095 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000553343535 1073266036 /nfs/dbraw/zinc/26/60/36/1073266036.db2.gz AMOHSSXYJWRWPD-OAHLLOKOSA-N 1 2 426.539 -0.095 20 0 IBADLO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000553373488 1073267222 /nfs/dbraw/zinc/26/72/22/1073267222.db2.gz DFULENCMRYLLRA-UHFFFAOYSA-N 1 2 435.506 -0.948 20 0 IBADLO Nc1nc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)nc(N2CCOCC2)n1 ZINC000553382725 1073268227 /nfs/dbraw/zinc/26/82/27/1073268227.db2.gz VUBQHFDWRRTGPD-UHFFFAOYSA-N 1 2 443.508 -0.069 20 0 IBADLO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)COCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000553401109 1073268201 /nfs/dbraw/zinc/26/82/01/1073268201.db2.gz AKSANJPTKUTXDV-ZRNYENFQSA-N 1 2 438.569 -0.354 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000553401737 1073307105 /nfs/dbraw/zinc/30/71/05/1073307105.db2.gz XGQVVIXTVSPTQR-CABCVRRESA-N 1 2 430.509 0.312 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000553401738 1073268621 /nfs/dbraw/zinc/26/86/21/1073268621.db2.gz XGQVVIXTVSPTQR-GJZGRUSLSA-N 1 2 430.509 0.312 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000553401739 1073306221 /nfs/dbraw/zinc/30/62/21/1073306221.db2.gz XGQVVIXTVSPTQR-HUUCEWRRSA-N 1 2 430.509 0.312 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000553401740 1073314895 /nfs/dbraw/zinc/31/48/95/1073314895.db2.gz XGQVVIXTVSPTQR-LSDHHAIUSA-N 1 2 430.509 0.312 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1n1cc[nH+]c1 ZINC000553405775 1073269301 /nfs/dbraw/zinc/26/93/01/1073269301.db2.gz ADKLXZSADWBUKA-CABCVRRESA-N 1 2 429.568 -0.213 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1n1cc[nH+]c1 ZINC000553405776 1073269289 /nfs/dbraw/zinc/26/92/89/1073269289.db2.gz ADKLXZSADWBUKA-GJZGRUSLSA-N 1 2 429.568 -0.213 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000553405777 1073269373 /nfs/dbraw/zinc/26/93/73/1073269373.db2.gz ADKLXZSADWBUKA-HUUCEWRRSA-N 1 2 429.568 -0.213 20 0 IBADLO C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000553405778 1073269354 /nfs/dbraw/zinc/26/93/54/1073269354.db2.gz ADKLXZSADWBUKA-LSDHHAIUSA-N 1 2 429.568 -0.213 20 0 IBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553409928 1073270219 /nfs/dbraw/zinc/27/02/19/1073270219.db2.gz NARFPTDBGCZTRZ-UHFFFAOYSA-N 1 2 429.568 -0.327 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000553421615 1073270943 /nfs/dbraw/zinc/27/09/43/1073270943.db2.gz WVZDTGLTTLKIOS-BRWVUGGUSA-N 1 2 430.571 -0.609 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000553421616 1073270969 /nfs/dbraw/zinc/27/09/69/1073270969.db2.gz WVZDTGLTTLKIOS-GVDBMIGSSA-N 1 2 430.571 -0.609 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000553421617 1073271099 /nfs/dbraw/zinc/27/10/99/1073271099.db2.gz WVZDTGLTTLKIOS-IXDOHACOSA-N 1 2 430.571 -0.609 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000553421618 1073271043 /nfs/dbraw/zinc/27/10/43/1073271043.db2.gz WVZDTGLTTLKIOS-YESZJQIVSA-N 1 2 430.571 -0.609 20 0 IBADLO O=C(NCCC1(O)CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000553459362 1073271578 /nfs/dbraw/zinc/27/15/78/1073271578.db2.gz NJYLGDPCGWWGFJ-UHFFFAOYSA-N 1 2 441.554 -0.236 20 0 IBADLO COCCN1C(=O)N[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000553459386 1073271615 /nfs/dbraw/zinc/27/16/15/1073271615.db2.gz NUSGEOOAAPCCMX-SJORKVTESA-N 1 2 432.529 -0.577 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553465703 1073272070 /nfs/dbraw/zinc/27/20/70/1073272070.db2.gz ZAHJLQQLYCQENT-MRXNPFEDSA-N 1 2 440.574 -0.831 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000553484008 1073272642 /nfs/dbraw/zinc/27/26/42/1073272642.db2.gz KXJXEGLQBWKBRS-NVXWUHKLSA-N 1 2 435.616 -0.236 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000553484010 1073272651 /nfs/dbraw/zinc/27/26/51/1073272651.db2.gz KXJXEGLQBWKBRS-WBVHZDCISA-N 1 2 435.616 -0.236 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 ZINC000553502417 1073274415 /nfs/dbraw/zinc/27/44/15/1073274415.db2.gz UDAKZFSWLQJTMV-UHFFFAOYSA-N 1 2 432.525 -0.810 20 0 IBADLO Cn1cc(C(=O)C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)C(=O)c2cnn(C)c2)cn1 ZINC000553515806 1073274074 /nfs/dbraw/zinc/27/40/74/1073274074.db2.gz KSIYWZOQQYBVKY-UHFFFAOYSA-N 1 2 443.508 -0.350 20 0 IBADLO CC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC000553594350 1073276643 /nfs/dbraw/zinc/27/66/43/1073276643.db2.gz LCUXAJVTEASPSZ-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO CC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC000553594350 1073276640 /nfs/dbraw/zinc/27/66/40/1073276640.db2.gz LCUXAJVTEASPSZ-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cc1 ZINC000553615204 1073278053 /nfs/dbraw/zinc/27/80/53/1073278053.db2.gz RHVXITMBQBGMAQ-RBUKOAKNSA-N 1 2 430.505 -0.164 20 0 IBADLO Cc1noc(C)c1CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000553615531 1073278100 /nfs/dbraw/zinc/27/81/00/1073278100.db2.gz VTBTVSJMFGZNFO-UHFFFAOYSA-N 1 2 443.508 -0.074 20 0 IBADLO Cc1noc(C)c1CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000553615531 1073278096 /nfs/dbraw/zinc/27/80/96/1073278096.db2.gz VTBTVSJMFGZNFO-UHFFFAOYSA-N 1 2 443.508 -0.074 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000553643167 1073279235 /nfs/dbraw/zinc/27/92/35/1073279235.db2.gz WWQWGKYYPSNSPE-GDBMZVCRSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000553643168 1073279445 /nfs/dbraw/zinc/27/94/45/1073279445.db2.gz WWQWGKYYPSNSPE-GOEBONIOSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000553643169 1073279284 /nfs/dbraw/zinc/27/92/84/1073279284.db2.gz WWQWGKYYPSNSPE-HOCLYGCPSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000553643171 1073279419 /nfs/dbraw/zinc/27/94/19/1073279419.db2.gz WWQWGKYYPSNSPE-ZBFHGGJFSA-N 1 2 438.912 -0.287 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000553674142 1073280683 /nfs/dbraw/zinc/28/06/83/1073280683.db2.gz FSJCXQUZCZSIOZ-GASCZTMLSA-N 1 2 436.600 -0.951 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000553674142 1073280679 /nfs/dbraw/zinc/28/06/79/1073280679.db2.gz FSJCXQUZCZSIOZ-GASCZTMLSA-N 1 2 436.600 -0.951 20 0 IBADLO C[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H](C)N1CCOCC1 ZINC000553675210 1073280776 /nfs/dbraw/zinc/28/07/76/1073280776.db2.gz PRXOOWRYNLNNHG-CVEARBPZSA-N 1 2 432.525 -0.367 20 0 IBADLO C[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H](C)N1CCOCC1 ZINC000553675213 1073280705 /nfs/dbraw/zinc/28/07/05/1073280705.db2.gz PRXOOWRYNLNNHG-HOTGVXAUSA-N 1 2 432.525 -0.367 20 0 IBADLO C[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H](C)N1CCOCC1 ZINC000553675214 1073280755 /nfs/dbraw/zinc/28/07/55/1073280755.db2.gz PRXOOWRYNLNNHG-HZPDHXFCSA-N 1 2 432.525 -0.367 20 0 IBADLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000553675215 1073280722 /nfs/dbraw/zinc/28/07/22/1073280722.db2.gz PRXOOWRYNLNNHG-JKSUJKDBSA-N 1 2 432.525 -0.367 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000553745232 1073283442 /nfs/dbraw/zinc/28/34/42/1073283442.db2.gz NQICLFIZBZHYPV-CVEARBPZSA-N 1 2 448.611 -0.759 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000553745234 1073283524 /nfs/dbraw/zinc/28/35/24/1073283524.db2.gz NQICLFIZBZHYPV-HOTGVXAUSA-N 1 2 448.611 -0.759 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000553745236 1073283454 /nfs/dbraw/zinc/28/34/54/1073283454.db2.gz NQICLFIZBZHYPV-HZPDHXFCSA-N 1 2 448.611 -0.759 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000553745238 1073283475 /nfs/dbraw/zinc/28/34/75/1073283475.db2.gz NQICLFIZBZHYPV-JKSUJKDBSA-N 1 2 448.611 -0.759 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000553764261 1073285490 /nfs/dbraw/zinc/28/54/90/1073285490.db2.gz WCFDGRNXEMUEGS-UHFFFAOYSA-N 1 2 437.585 -0.382 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000553771010 1073284617 /nfs/dbraw/zinc/28/46/17/1073284617.db2.gz MTVQGMOTSMBCEL-UHFFFAOYSA-N 1 2 427.523 -0.234 20 0 IBADLO Cn1ccnc1[C@H]1[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000553792853 1073286517 /nfs/dbraw/zinc/28/65/17/1073286517.db2.gz CZRNUIYODIFYGF-FUHWJXTLSA-N 1 2 441.540 -0.149 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1c1cnn(C)c1 ZINC000553793490 1073286468 /nfs/dbraw/zinc/28/64/68/1073286468.db2.gz UZVFZQSYSKTRCD-MSOLQXFVSA-N 1 2 441.540 -0.497 20 0 IBADLO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553793820 1073286362 /nfs/dbraw/zinc/28/63/62/1073286362.db2.gz XXMLYTNYFAERBA-INIZCTEOSA-N 1 2 425.559 -0.336 20 0 IBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553793821 1073286479 /nfs/dbraw/zinc/28/64/79/1073286479.db2.gz XXMLYTNYFAERBA-MRXNPFEDSA-N 1 2 425.559 -0.336 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000553795287 1073286503 /nfs/dbraw/zinc/28/65/03/1073286503.db2.gz VXQAMDVRXPNBJO-MRXNPFEDSA-N 1 2 437.570 -0.146 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC(=O)N1C ZINC000553799972 1073285992 /nfs/dbraw/zinc/28/59/92/1073285992.db2.gz VPBUMOUMICFQHB-VQIMIIECSA-N 1 2 441.540 -0.007 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000553801471 1073286051 /nfs/dbraw/zinc/28/60/51/1073286051.db2.gz ZNWMYVDBAQPQNV-UHFFFAOYSA-N 1 2 426.539 -0.417 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000553801471 1073286045 /nfs/dbraw/zinc/28/60/45/1073286045.db2.gz ZNWMYVDBAQPQNV-UHFFFAOYSA-N 1 2 426.539 -0.417 20 0 IBADLO O=C(CCNS(=O)(=O)CC1CCS(=O)(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000553818973 1073286903 /nfs/dbraw/zinc/28/69/03/1073286903.db2.gz ILTLGDUONJPPHS-UHFFFAOYSA-N 1 2 444.579 -0.136 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000553834783 1073287806 /nfs/dbraw/zinc/28/78/06/1073287806.db2.gz LQAUOUNSYGSBHF-AWEZNQCLSA-N 1 2 439.542 -0.903 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000553834783 1073287803 /nfs/dbraw/zinc/28/78/03/1073287803.db2.gz LQAUOUNSYGSBHF-AWEZNQCLSA-N 1 2 439.542 -0.903 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000553834784 1073287850 /nfs/dbraw/zinc/28/78/50/1073287850.db2.gz LQAUOUNSYGSBHF-CQSZACIVSA-N 1 2 439.542 -0.903 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000553834784 1073287843 /nfs/dbraw/zinc/28/78/43/1073287843.db2.gz LQAUOUNSYGSBHF-CQSZACIVSA-N 1 2 439.542 -0.903 20 0 IBADLO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553834848 1073287826 /nfs/dbraw/zinc/28/78/26/1073287826.db2.gz IGKGQSAWPRXDMN-INIZCTEOSA-N 1 2 428.541 -0.176 20 0 IBADLO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553834849 1073287835 /nfs/dbraw/zinc/28/78/35/1073287835.db2.gz IGKGQSAWPRXDMN-MRXNPFEDSA-N 1 2 428.541 -0.176 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000553854034 1073288594 /nfs/dbraw/zinc/28/85/94/1073288594.db2.gz PSRMLTVASPJNDL-KRWDZBQOSA-N 1 2 448.487 -0.066 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000553854035 1073288719 /nfs/dbraw/zinc/28/87/19/1073288719.db2.gz PSRMLTVASPJNDL-QGZVFWFLSA-N 1 2 448.487 -0.066 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000553888868 1073290662 /nfs/dbraw/zinc/29/06/62/1073290662.db2.gz MCGLRVHADBJJMI-UHFFFAOYSA-N 1 2 446.475 -0.091 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000553930944 1073291933 /nfs/dbraw/zinc/29/19/33/1073291933.db2.gz MWNHUCDCLKEGQJ-KRWDZBQOSA-N 1 2 433.557 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000553930944 1073291925 /nfs/dbraw/zinc/29/19/25/1073291925.db2.gz MWNHUCDCLKEGQJ-KRWDZBQOSA-N 1 2 433.557 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000553930950 1073292306 /nfs/dbraw/zinc/29/23/06/1073292306.db2.gz MWNHUCDCLKEGQJ-QGZVFWFLSA-N 1 2 433.557 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000553930950 1073292298 /nfs/dbraw/zinc/29/22/98/1073292298.db2.gz MWNHUCDCLKEGQJ-QGZVFWFLSA-N 1 2 433.557 -0.332 20 0 IBADLO CC[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)S1(=O)=O ZINC000553932668 1073292415 /nfs/dbraw/zinc/29/24/15/1073292415.db2.gz FLGCPPWERWBWLZ-CABCVRRESA-N 1 2 435.554 -0.091 20 0 IBADLO CC[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)S1(=O)=O ZINC000553932782 1073292222 /nfs/dbraw/zinc/29/22/22/1073292222.db2.gz FLGCPPWERWBWLZ-GJZGRUSLSA-N 1 2 435.554 -0.091 20 0 IBADLO CC[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)S1(=O)=O ZINC000553932783 1073292371 /nfs/dbraw/zinc/29/23/71/1073292371.db2.gz FLGCPPWERWBWLZ-HUUCEWRRSA-N 1 2 435.554 -0.091 20 0 IBADLO CC[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)S1(=O)=O ZINC000553932784 1073292268 /nfs/dbraw/zinc/29/22/68/1073292268.db2.gz FLGCPPWERWBWLZ-LSDHHAIUSA-N 1 2 435.554 -0.091 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nc1 ZINC000554007308 1073295043 /nfs/dbraw/zinc/29/50/43/1073295043.db2.gz PIFRWHMYPVWNTB-KRWDZBQOSA-N 1 2 430.509 -0.990 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nc1 ZINC000554007310 1073295075 /nfs/dbraw/zinc/29/50/75/1073295075.db2.gz PIFRWHMYPVWNTB-QGZVFWFLSA-N 1 2 430.509 -0.990 20 0 IBADLO CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000554040076 1073296986 /nfs/dbraw/zinc/29/69/86/1073296986.db2.gz CUAAHLVEUNVVBK-AWEZNQCLSA-N 1 2 428.536 -0.253 20 0 IBADLO CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000554040077 1073297093 /nfs/dbraw/zinc/29/70/93/1073297093.db2.gz CUAAHLVEUNVVBK-CQSZACIVSA-N 1 2 428.536 -0.253 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000554055775 1073298826 /nfs/dbraw/zinc/29/88/26/1073298826.db2.gz IFZUOJQCMURCFX-MANSERQUSA-N 1 2 427.542 -0.382 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000554055776 1073298729 /nfs/dbraw/zinc/29/87/29/1073298729.db2.gz IFZUOJQCMURCFX-RDGPPVDQSA-N 1 2 427.542 -0.382 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000554055777 1073298815 /nfs/dbraw/zinc/29/88/15/1073298815.db2.gz IFZUOJQCMURCFX-WJFTUGDTSA-N 1 2 427.542 -0.382 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000554055778 1073298749 /nfs/dbraw/zinc/29/87/49/1073298749.db2.gz IFZUOJQCMURCFX-ZSYWTGECSA-N 1 2 427.542 -0.382 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)ncn1 ZINC000554058843 1073298779 /nfs/dbraw/zinc/29/87/79/1073298779.db2.gz DMRLMSBMZNTGNV-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)ncn1 ZINC000554058844 1073298794 /nfs/dbraw/zinc/29/87/94/1073298794.db2.gz DMRLMSBMZNTGNV-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)ncn1 ZINC000554058845 1073298666 /nfs/dbraw/zinc/29/86/66/1073298666.db2.gz DMRLMSBMZNTGNV-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)ncn1 ZINC000554058846 1073298684 /nfs/dbraw/zinc/29/86/84/1073298684.db2.gz DMRLMSBMZNTGNV-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000554059739 1073298806 /nfs/dbraw/zinc/29/88/06/1073298806.db2.gz SXKKEOGZLBKKFJ-KKUMJFAQSA-N 1 2 425.448 -0.120 20 0 IBADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000554059740 1073298761 /nfs/dbraw/zinc/29/87/61/1073298761.db2.gz SXKKEOGZLBKKFJ-RRFJBIMHSA-N 1 2 425.448 -0.120 20 0 IBADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000554059741 1073298701 /nfs/dbraw/zinc/29/87/01/1073298701.db2.gz SXKKEOGZLBKKFJ-SOUVJXGZSA-N 1 2 425.448 -0.120 20 0 IBADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000554059742 1073298712 /nfs/dbraw/zinc/29/87/12/1073298712.db2.gz SXKKEOGZLBKKFJ-ZNMIVQPWSA-N 1 2 425.448 -0.120 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC000554059770 1073298675 /nfs/dbraw/zinc/29/86/75/1073298675.db2.gz VASGXVWMIAMKRM-BZSNNMDCSA-N 1 2 446.552 -0.213 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC000554059771 1073298654 /nfs/dbraw/zinc/29/86/54/1073298654.db2.gz VASGXVWMIAMKRM-FGTMMUONSA-N 1 2 446.552 -0.213 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC000554059772 1073299164 /nfs/dbraw/zinc/29/91/64/1073299164.db2.gz VASGXVWMIAMKRM-OKZBNKHCSA-N 1 2 446.552 -0.213 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC000554059773 1073298741 /nfs/dbraw/zinc/29/87/41/1073298741.db2.gz VASGXVWMIAMKRM-SQNIBIBYSA-N 1 2 446.552 -0.213 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000554061712 1073299297 /nfs/dbraw/zinc/29/92/97/1073299297.db2.gz MIUFQTPJUYAISZ-FAJBIJEISA-N 1 2 432.525 -0.384 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000554061713 1073299193 /nfs/dbraw/zinc/29/91/93/1073299193.db2.gz MIUFQTPJUYAISZ-MTNOOBJLSA-N 1 2 432.525 -0.384 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000554061714 1073299244 /nfs/dbraw/zinc/29/92/44/1073299244.db2.gz MIUFQTPJUYAISZ-VXNCWWDNSA-N 1 2 432.525 -0.384 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000554061716 1073299158 /nfs/dbraw/zinc/29/91/58/1073299158.db2.gz MIUFQTPJUYAISZ-ZMMAXQRCSA-N 1 2 432.525 -0.384 20 0 IBADLO CCOC1CC(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)([NH+]2CCOCC2)C1 ZINC000554093602 1073300582 /nfs/dbraw/zinc/30/05/82/1073300582.db2.gz VPAFSNPSKUGVAV-LRYGQEGESA-N 1 2 447.602 -0.174 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000554106514 1073303332 /nfs/dbraw/zinc/30/33/32/1073303332.db2.gz KYKLGGVVAJJCHD-LEWJYISDSA-N 1 2 448.564 -0.802 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000554106515 1073303157 /nfs/dbraw/zinc/30/31/57/1073303157.db2.gz KYKLGGVVAJJCHD-NHCUHLMSSA-N 1 2 448.564 -0.802 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000554106516 1073303259 /nfs/dbraw/zinc/30/32/59/1073303259.db2.gz KYKLGGVVAJJCHD-RTWAWAEBSA-N 1 2 448.564 -0.802 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000554106517 1073303292 /nfs/dbraw/zinc/30/32/92/1073303292.db2.gz KYKLGGVVAJJCHD-SFTDATJTSA-N 1 2 448.564 -0.802 20 0 IBADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000554125904 1073305214 /nfs/dbraw/zinc/30/52/14/1073305214.db2.gz UTNURWCLKJVFJL-BRWVUGGUSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000554125905 1073305673 /nfs/dbraw/zinc/30/56/73/1073305673.db2.gz UTNURWCLKJVFJL-IKGGRYGDSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000554125906 1073305469 /nfs/dbraw/zinc/30/54/69/1073305469.db2.gz UTNURWCLKJVFJL-IXDOHACOSA-N 1 2 429.587 -0.436 20 0 IBADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000554125907 1073305513 /nfs/dbraw/zinc/30/55/13/1073305513.db2.gz UTNURWCLKJVFJL-ZACQAIPSSA-N 1 2 429.587 -0.436 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000554163057 1073307625 /nfs/dbraw/zinc/30/76/25/1073307625.db2.gz YFNIQAAPKUIORT-UHFFFAOYSA-N 1 2 442.538 -0.982 20 0 IBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000554173719 1073309381 /nfs/dbraw/zinc/30/93/81/1073309381.db2.gz GEFQSJNZIDBALF-UHFFFAOYSA-N 1 2 429.495 -0.311 20 0 IBADLO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000554194221 1073310668 /nfs/dbraw/zinc/31/06/68/1073310668.db2.gz GWXMGFHASNZDQD-INIZCTEOSA-N 1 2 445.524 -0.913 20 0 IBADLO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000554194221 1073310665 /nfs/dbraw/zinc/31/06/65/1073310665.db2.gz GWXMGFHASNZDQD-INIZCTEOSA-N 1 2 445.524 -0.913 20 0 IBADLO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000554194232 1073310630 /nfs/dbraw/zinc/31/06/30/1073310630.db2.gz GWXMGFHASNZDQD-MRXNPFEDSA-N 1 2 445.524 -0.913 20 0 IBADLO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000554194232 1073310627 /nfs/dbraw/zinc/31/06/27/1073310627.db2.gz GWXMGFHASNZDQD-MRXNPFEDSA-N 1 2 445.524 -0.913 20 0 IBADLO CC(=O)NCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554201165 1073312264 /nfs/dbraw/zinc/31/22/64/1073312264.db2.gz QODIAAGXTBYMPS-INIZCTEOSA-N 1 2 433.513 -0.959 20 0 IBADLO CC(=O)NCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554201165 1073312258 /nfs/dbraw/zinc/31/22/58/1073312258.db2.gz QODIAAGXTBYMPS-INIZCTEOSA-N 1 2 433.513 -0.959 20 0 IBADLO CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554201174 1073312237 /nfs/dbraw/zinc/31/22/37/1073312237.db2.gz QODIAAGXTBYMPS-MRXNPFEDSA-N 1 2 433.513 -0.959 20 0 IBADLO CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554201174 1073312229 /nfs/dbraw/zinc/31/22/29/1073312229.db2.gz QODIAAGXTBYMPS-MRXNPFEDSA-N 1 2 433.513 -0.959 20 0 IBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554206989 1073312897 /nfs/dbraw/zinc/31/28/97/1073312897.db2.gz WQXPUQPPTCSPRF-HNNXBMFYSA-N 1 2 447.540 -0.713 20 0 IBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554206989 1073312892 /nfs/dbraw/zinc/31/28/92/1073312892.db2.gz WQXPUQPPTCSPRF-HNNXBMFYSA-N 1 2 447.540 -0.713 20 0 IBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554206996 1073312735 /nfs/dbraw/zinc/31/27/35/1073312735.db2.gz WQXPUQPPTCSPRF-OAHLLOKOSA-N 1 2 447.540 -0.713 20 0 IBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554206996 1073312730 /nfs/dbraw/zinc/31/27/30/1073312730.db2.gz WQXPUQPPTCSPRF-OAHLLOKOSA-N 1 2 447.540 -0.713 20 0 IBADLO O=C(NCCCn1ccnn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554207679 1073311197 /nfs/dbraw/zinc/31/11/97/1073311197.db2.gz XPBVIXKZOOPXNA-INIZCTEOSA-N 1 2 443.512 -0.804 20 0 IBADLO O=C(NCCCn1ccnn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554207679 1073311191 /nfs/dbraw/zinc/31/11/91/1073311191.db2.gz XPBVIXKZOOPXNA-INIZCTEOSA-N 1 2 443.512 -0.804 20 0 IBADLO O=C(NCCCn1ccnn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554207705 1073311337 /nfs/dbraw/zinc/31/13/37/1073311337.db2.gz XPBVIXKZOOPXNA-MRXNPFEDSA-N 1 2 443.512 -0.804 20 0 IBADLO O=C(NCCCn1ccnn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554207705 1073311333 /nfs/dbraw/zinc/31/13/33/1073311333.db2.gz XPBVIXKZOOPXNA-MRXNPFEDSA-N 1 2 443.512 -0.804 20 0 IBADLO Cc1cnccc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554226018 1073313909 /nfs/dbraw/zinc/31/39/09/1073313909.db2.gz OGGQGGBOIOOPLW-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1cnccc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554226018 1073313903 /nfs/dbraw/zinc/31/39/03/1073313903.db2.gz OGGQGGBOIOOPLW-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO CCc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)on1 ZINC000554237315 1073313881 /nfs/dbraw/zinc/31/38/81/1073313881.db2.gz LUJLUYXAFZERRH-UHFFFAOYSA-N 1 2 429.481 -0.171 20 0 IBADLO CCc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)on1 ZINC000554237315 1073313874 /nfs/dbraw/zinc/31/38/74/1073313874.db2.gz LUJLUYXAFZERRH-UHFFFAOYSA-N 1 2 429.481 -0.171 20 0 IBADLO CCC(CC)(NC(=O)C1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1)C(N)=O ZINC000554251624 1073314270 /nfs/dbraw/zinc/31/42/70/1073314270.db2.gz BCNKFQZSXWFGHI-UHFFFAOYSA-N 1 2 435.529 -0.161 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554351378 1073319975 /nfs/dbraw/zinc/31/99/75/1073319975.db2.gz QSTIRPAVWXYDQL-MOPGFXCFSA-N 1 2 437.585 -0.241 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554351379 1073319870 /nfs/dbraw/zinc/31/98/70/1073319870.db2.gz QSTIRPAVWXYDQL-OALUTQOASA-N 1 2 437.585 -0.241 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554351380 1073320089 /nfs/dbraw/zinc/32/00/89/1073320089.db2.gz QSTIRPAVWXYDQL-RBUKOAKNSA-N 1 2 437.585 -0.241 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554351381 1073319953 /nfs/dbraw/zinc/31/99/53/1073319953.db2.gz QSTIRPAVWXYDQL-RTBURBONSA-N 1 2 437.585 -0.241 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554351879 1073319931 /nfs/dbraw/zinc/31/99/31/1073319931.db2.gz XDYGXAXEYSXMQP-BHIYHBOVSA-N 1 2 435.569 -0.443 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554351882 1073320049 /nfs/dbraw/zinc/32/00/49/1073320049.db2.gz XDYGXAXEYSXMQP-NEWSRXKRSA-N 1 2 435.569 -0.443 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554352094 1073319151 /nfs/dbraw/zinc/31/91/51/1073319151.db2.gz XDYGXAXEYSXMQP-NZSAHSFTSA-N 1 2 435.569 -0.443 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554352095 1073319849 /nfs/dbraw/zinc/31/98/49/1073319849.db2.gz XDYGXAXEYSXMQP-QRQLOZEOSA-N 1 2 435.569 -0.443 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000554354803 1073320010 /nfs/dbraw/zinc/32/00/10/1073320010.db2.gz NYXVWDWTUSSNNU-PMACEKPBSA-N 1 2 449.596 -0.097 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000554354807 1073320159 /nfs/dbraw/zinc/32/01/59/1073320159.db2.gz NYXVWDWTUSSNNU-UXHICEINSA-N 1 2 449.596 -0.097 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000554354809 1073320104 /nfs/dbraw/zinc/32/01/04/1073320104.db2.gz NYXVWDWTUSSNNU-VQTJNVASSA-N 1 2 449.596 -0.097 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000554354811 1073320068 /nfs/dbraw/zinc/32/00/68/1073320068.db2.gz NYXVWDWTUSSNNU-WOJBJXKFSA-N 1 2 449.596 -0.097 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000554396570 1073321142 /nfs/dbraw/zinc/32/11/42/1073321142.db2.gz IDFFQTOEYDMJPE-CABCVRRESA-N 1 2 442.524 -0.225 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000554396571 1073321259 /nfs/dbraw/zinc/32/12/59/1073321259.db2.gz IDFFQTOEYDMJPE-GJZGRUSLSA-N 1 2 442.524 -0.225 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000554396572 1073321203 /nfs/dbraw/zinc/32/12/03/1073321203.db2.gz IDFFQTOEYDMJPE-HUUCEWRRSA-N 1 2 442.524 -0.225 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000554396573 1073321245 /nfs/dbraw/zinc/32/12/45/1073321245.db2.gz IDFFQTOEYDMJPE-LSDHHAIUSA-N 1 2 442.524 -0.225 20 0 IBADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554440560 1073323943 /nfs/dbraw/zinc/32/39/43/1073323943.db2.gz SXFGSAVWWYMWER-FIXAZDJUSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554440560 1073323933 /nfs/dbraw/zinc/32/39/33/1073323933.db2.gz SXFGSAVWWYMWER-FIXAZDJUSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554440561 1073324023 /nfs/dbraw/zinc/32/40/23/1073324023.db2.gz SXFGSAVWWYMWER-IQYXRRSRSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554440561 1073324020 /nfs/dbraw/zinc/32/40/20/1073324020.db2.gz SXFGSAVWWYMWER-IQYXRRSRSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554440562 1073323914 /nfs/dbraw/zinc/32/39/14/1073323914.db2.gz SXFGSAVWWYMWER-NYCQYLMKSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554440562 1073323909 /nfs/dbraw/zinc/32/39/09/1073323909.db2.gz SXFGSAVWWYMWER-NYCQYLMKSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554440563 1073323880 /nfs/dbraw/zinc/32/38/80/1073323880.db2.gz SXFGSAVWWYMWER-PWUJBNGKSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554440563 1073323869 /nfs/dbraw/zinc/32/38/69/1073323869.db2.gz SXFGSAVWWYMWER-PWUJBNGKSA-N 1 2 438.554 -0.719 20 0 IBADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554441360 1073323528 /nfs/dbraw/zinc/32/35/28/1073323528.db2.gz RYZSATUKOFBVRF-BTYIYWSLSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554441360 1073323517 /nfs/dbraw/zinc/32/35/17/1073323517.db2.gz RYZSATUKOFBVRF-BTYIYWSLSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554441364 1073323501 /nfs/dbraw/zinc/32/35/01/1073323501.db2.gz RYZSATUKOFBVRF-QVKFZJNVSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554441364 1073323495 /nfs/dbraw/zinc/32/34/95/1073323495.db2.gz RYZSATUKOFBVRF-QVKFZJNVSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554441366 1073323845 /nfs/dbraw/zinc/32/38/45/1073323845.db2.gz RYZSATUKOFBVRF-VFNWGFHPSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554441366 1073323835 /nfs/dbraw/zinc/32/38/35/1073323835.db2.gz RYZSATUKOFBVRF-VFNWGFHPSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554441368 1073324009 /nfs/dbraw/zinc/32/40/09/1073324009.db2.gz RYZSATUKOFBVRF-YCRPNKLZSA-N 1 2 445.524 -0.878 20 0 IBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554441368 1073324004 /nfs/dbraw/zinc/32/40/04/1073324004.db2.gz RYZSATUKOFBVRF-YCRPNKLZSA-N 1 2 445.524 -0.878 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(CCO)C1CCC1 ZINC000554443386 1073324650 /nfs/dbraw/zinc/32/46/50/1073324650.db2.gz SUWQEVQRGACEPZ-INIZCTEOSA-N 1 2 432.525 -0.228 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(CCO)C1CCC1 ZINC000554443386 1073324644 /nfs/dbraw/zinc/32/46/44/1073324644.db2.gz SUWQEVQRGACEPZ-INIZCTEOSA-N 1 2 432.525 -0.228 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(CCO)C1CCC1 ZINC000554443389 1073324672 /nfs/dbraw/zinc/32/46/72/1073324672.db2.gz SUWQEVQRGACEPZ-MRXNPFEDSA-N 1 2 432.525 -0.228 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(CCO)C1CCC1 ZINC000554443389 1073324667 /nfs/dbraw/zinc/32/46/67/1073324667.db2.gz SUWQEVQRGACEPZ-MRXNPFEDSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(O)CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554443794 1073324596 /nfs/dbraw/zinc/32/45/96/1073324596.db2.gz ZBUHUFLYCVMJOY-HRAATJIYSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(O)CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554443794 1073324584 /nfs/dbraw/zinc/32/45/84/1073324584.db2.gz ZBUHUFLYCVMJOY-HRAATJIYSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554443795 1073324340 /nfs/dbraw/zinc/32/43/40/1073324340.db2.gz ZBUHUFLYCVMJOY-IERDGZPVSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554443795 1073324337 /nfs/dbraw/zinc/32/43/37/1073324337.db2.gz ZBUHUFLYCVMJOY-IERDGZPVSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554443796 1073324629 /nfs/dbraw/zinc/32/46/29/1073324629.db2.gz ZBUHUFLYCVMJOY-IIBYNOLFSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554443796 1073324616 /nfs/dbraw/zinc/32/46/16/1073324616.db2.gz ZBUHUFLYCVMJOY-IIBYNOLFSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(O)CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554443797 1073324514 /nfs/dbraw/zinc/32/45/14/1073324514.db2.gz ZBUHUFLYCVMJOY-KKSFZXQISA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(O)CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554443797 1073324503 /nfs/dbraw/zinc/32/45/03/1073324503.db2.gz ZBUHUFLYCVMJOY-KKSFZXQISA-N 1 2 432.525 -0.228 20 0 IBADLO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)ncn1 ZINC000554446496 1073324352 /nfs/dbraw/zinc/32/43/52/1073324352.db2.gz JHUFRGZHTYUWOX-MSOLQXFVSA-N 1 2 434.541 -0.725 20 0 IBADLO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)ncn1 ZINC000554446497 1073325038 /nfs/dbraw/zinc/32/50/38/1073325038.db2.gz JHUFRGZHTYUWOX-QZTJIDSGSA-N 1 2 434.541 -0.725 20 0 IBADLO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)ncn1 ZINC000554446498 1073324989 /nfs/dbraw/zinc/32/49/89/1073324989.db2.gz JHUFRGZHTYUWOX-ROUUACIJSA-N 1 2 434.541 -0.725 20 0 IBADLO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)ncn1 ZINC000554446499 1073324997 /nfs/dbraw/zinc/32/49/97/1073324997.db2.gz JHUFRGZHTYUWOX-ZWKOTPCHSA-N 1 2 434.541 -0.725 20 0 IBADLO CCC(CC)(NC(=O)C1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1)C(N)=O ZINC000554478295 1073325582 /nfs/dbraw/zinc/32/55/82/1073325582.db2.gz ZZGFMCXZRAHBTR-UHFFFAOYSA-N 1 2 435.529 -0.161 20 0 IBADLO C[N@@H+](CCN1CCCC1=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000554558453 1073326863 /nfs/dbraw/zinc/32/68/63/1073326863.db2.gz HYOFTTWDZRZJBM-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO C[N@H+](CCN1CCCC1=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000554558453 1073326862 /nfs/dbraw/zinc/32/68/62/1073326862.db2.gz HYOFTTWDZRZJBM-UHFFFAOYSA-N 1 2 438.550 -0.122 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)C1CCOCC1 ZINC000554652948 1073329289 /nfs/dbraw/zinc/32/92/89/1073329289.db2.gz LERNJMMUYYQUEI-KRWDZBQOSA-N 1 2 441.554 -0.380 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)C1CCOCC1 ZINC000554652949 1073329347 /nfs/dbraw/zinc/32/93/47/1073329347.db2.gz LERNJMMUYYQUEI-QGZVFWFLSA-N 1 2 441.554 -0.380 20 0 IBADLO O=C(NCCCO[C@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554698956 1073335133 /nfs/dbraw/zinc/33/51/33/1073335133.db2.gz IMYKYARIRMYMHT-KRWDZBQOSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCCO[C@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554698956 1073335121 /nfs/dbraw/zinc/33/51/21/1073335121.db2.gz IMYKYARIRMYMHT-KRWDZBQOSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCCO[C@@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554698957 1073335094 /nfs/dbraw/zinc/33/50/94/1073335094.db2.gz IMYKYARIRMYMHT-QGZVFWFLSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCCO[C@@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554698957 1073335087 /nfs/dbraw/zinc/33/50/87/1073335087.db2.gz IMYKYARIRMYMHT-QGZVFWFLSA-N 1 2 448.524 -0.726 20 0 IBADLO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000554728085 1073337973 /nfs/dbraw/zinc/33/79/73/1073337973.db2.gz KDUQOYWMWMGBPA-MOPGFXCFSA-N 1 2 432.521 -0.636 20 0 IBADLO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000554728086 1073338060 /nfs/dbraw/zinc/33/80/60/1073338060.db2.gz KDUQOYWMWMGBPA-OALUTQOASA-N 1 2 432.521 -0.636 20 0 IBADLO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000554728087 1073338078 /nfs/dbraw/zinc/33/80/78/1073338078.db2.gz KDUQOYWMWMGBPA-RBUKOAKNSA-N 1 2 432.521 -0.636 20 0 IBADLO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000554728088 1073337889 /nfs/dbraw/zinc/33/78/89/1073337889.db2.gz KDUQOYWMWMGBPA-RTBURBONSA-N 1 2 432.521 -0.636 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000554777223 1073341239 /nfs/dbraw/zinc/34/12/39/1073341239.db2.gz KISNGWWQOLJWKH-AWEZNQCLSA-N 1 2 438.506 -0.453 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000554777224 1073341165 /nfs/dbraw/zinc/34/11/65/1073341165.db2.gz KISNGWWQOLJWKH-CQSZACIVSA-N 1 2 438.506 -0.453 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000554821798 1073342794 /nfs/dbraw/zinc/34/27/94/1073342794.db2.gz HGIQCXNDYCNTAB-HNNXBMFYSA-N 1 2 427.527 -0.787 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000554821799 1073342537 /nfs/dbraw/zinc/34/25/37/1073342537.db2.gz HGIQCXNDYCNTAB-OAHLLOKOSA-N 1 2 427.527 -0.787 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1)N1CCN(c2ncccn2)CC1 ZINC000554935811 1073348048 /nfs/dbraw/zinc/34/80/48/1073348048.db2.gz KGAKZHJRWBJPIM-UHFFFAOYSA-N 1 2 434.526 -0.755 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000554937552 1073348188 /nfs/dbraw/zinc/34/81/88/1073348188.db2.gz KCWQVLGOANFJKE-UHFFFAOYSA-N 1 2 437.570 -0.192 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000554965774 1073348580 /nfs/dbraw/zinc/34/85/80/1073348580.db2.gz OXIHEQBHMLXSQU-KRWDZBQOSA-N 1 2 432.525 -0.224 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000554965774 1073348570 /nfs/dbraw/zinc/34/85/70/1073348570.db2.gz OXIHEQBHMLXSQU-KRWDZBQOSA-N 1 2 432.525 -0.224 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000554965776 1073348832 /nfs/dbraw/zinc/34/88/32/1073348832.db2.gz OXIHEQBHMLXSQU-QGZVFWFLSA-N 1 2 432.525 -0.224 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000554965776 1073348822 /nfs/dbraw/zinc/34/88/22/1073348822.db2.gz OXIHEQBHMLXSQU-QGZVFWFLSA-N 1 2 432.525 -0.224 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000554982182 1073349715 /nfs/dbraw/zinc/34/97/15/1073349715.db2.gz LHFAQNSBGPSPSE-UHFFFAOYSA-N 1 2 446.533 -0.104 20 0 IBADLO CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000555061881 1073352449 /nfs/dbraw/zinc/35/24/49/1073352449.db2.gz XNAHDGNOEWCOSR-CABCVRRESA-N 1 2 443.574 -0.723 20 0 IBADLO CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000555061882 1073352986 /nfs/dbraw/zinc/35/29/86/1073352986.db2.gz XNAHDGNOEWCOSR-GJZGRUSLSA-N 1 2 443.574 -0.723 20 0 IBADLO CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000555061883 1073352945 /nfs/dbraw/zinc/35/29/45/1073352945.db2.gz XNAHDGNOEWCOSR-HUUCEWRRSA-N 1 2 443.574 -0.723 20 0 IBADLO CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000555061884 1073352841 /nfs/dbraw/zinc/35/28/41/1073352841.db2.gz XNAHDGNOEWCOSR-LSDHHAIUSA-N 1 2 443.574 -0.723 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000555067326 1073353650 /nfs/dbraw/zinc/35/36/50/1073353650.db2.gz FZUDPGDUVICZFE-ZDUSSCGKSA-N 1 2 426.451 -0.394 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000555067326 1073353642 /nfs/dbraw/zinc/35/36/42/1073353642.db2.gz FZUDPGDUVICZFE-ZDUSSCGKSA-N 1 2 426.451 -0.394 20 0 IBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000555072478 1073354133 /nfs/dbraw/zinc/35/41/33/1073354133.db2.gz HZWFAOQDKUURDQ-UHFFFAOYSA-N 1 2 433.477 -0.071 20 0 IBADLO CN(C)c1nc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc(=O)[nH]1 ZINC000555234110 1073358254 /nfs/dbraw/zinc/35/82/54/1073358254.db2.gz CMYGXRTYLJBNQZ-UHFFFAOYSA-N 1 2 435.510 -0.475 20 0 IBADLO COCCN1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1=O ZINC000555283122 1073359533 /nfs/dbraw/zinc/35/95/33/1073359533.db2.gz BUFGWLMPQVVDPR-UHFFFAOYSA-N 1 2 431.493 -0.436 20 0 IBADLO CC(C)C(=O)Nc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000555286297 1073359547 /nfs/dbraw/zinc/35/95/47/1073359547.db2.gz JYLTWJTYKVIKMP-UHFFFAOYSA-N 1 2 438.554 -0.074 20 0 IBADLO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555517597 1073367604 /nfs/dbraw/zinc/36/76/04/1073367604.db2.gz UWAJWJLCIPJTSO-AWEZNQCLSA-N 1 2 427.509 -0.300 20 0 IBADLO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555517598 1073367542 /nfs/dbraw/zinc/36/75/42/1073367542.db2.gz UWAJWJLCIPJTSO-CQSZACIVSA-N 1 2 427.509 -0.300 20 0 IBADLO COCCN1C[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000555518653 1073367585 /nfs/dbraw/zinc/36/75/85/1073367585.db2.gz LNGWEMGXTSTKQY-DLBZAZTESA-N 1 2 446.552 -0.556 20 0 IBADLO COCCN1C[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000555518654 1073367623 /nfs/dbraw/zinc/36/76/23/1073367623.db2.gz LNGWEMGXTSTKQY-IAGOWNOFSA-N 1 2 446.552 -0.556 20 0 IBADLO COCCN1C[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000555518655 1073367472 /nfs/dbraw/zinc/36/74/72/1073367472.db2.gz LNGWEMGXTSTKQY-IRXDYDNUSA-N 1 2 446.552 -0.556 20 0 IBADLO COCCN1C[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000555518656 1073367680 /nfs/dbraw/zinc/36/76/80/1073367680.db2.gz LNGWEMGXTSTKQY-SJORKVTESA-N 1 2 446.552 -0.556 20 0 IBADLO Cc1cc(O)cc(=O)n1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555521208 1073367696 /nfs/dbraw/zinc/36/76/96/1073367696.db2.gz RMVDCSOTPWRQQB-INIZCTEOSA-N 1 2 442.520 -0.175 20 0 IBADLO Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555521221 1073367565 /nfs/dbraw/zinc/36/75/65/1073367565.db2.gz RMVDCSOTPWRQQB-MRXNPFEDSA-N 1 2 442.520 -0.175 20 0 IBADLO O=C(CCNC(=O)C(=O)NCc1nnc2ccccn21)N1CCN(c2cccc[nH+]2)CC1 ZINC000555570064 1073369210 /nfs/dbraw/zinc/36/92/10/1073369210.db2.gz HQLLELIDHFLCNV-UHFFFAOYSA-N 1 2 436.476 -0.404 20 0 IBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000555611817 1073371343 /nfs/dbraw/zinc/37/13/43/1073371343.db2.gz CQRPHMVISVQHRU-GFCCVEGCSA-N 1 2 430.552 -0.375 20 0 IBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000555611818 1073371445 /nfs/dbraw/zinc/37/14/45/1073371445.db2.gz CQRPHMVISVQHRU-LBPRGKRZSA-N 1 2 430.552 -0.375 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000555620418 1073372178 /nfs/dbraw/zinc/37/21/78/1073372178.db2.gz BWDJPBMWPQTQJN-UHFFFAOYSA-N 1 2 448.549 -0.358 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000555620437 1073372354 /nfs/dbraw/zinc/37/23/54/1073372354.db2.gz DCXZODJNIDQSFS-UHFFFAOYSA-N 1 2 435.506 -0.273 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000555621083 1073372656 /nfs/dbraw/zinc/37/26/56/1073372656.db2.gz UWNVTVPITZPQAJ-UHFFFAOYSA-N 1 2 429.506 -0.197 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000555667261 1073375346 /nfs/dbraw/zinc/37/53/46/1073375346.db2.gz UXAKMEKSSFOSNL-UHFFFAOYSA-N 1 2 425.574 -0.384 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000555667261 1073375334 /nfs/dbraw/zinc/37/53/34/1073375334.db2.gz UXAKMEKSSFOSNL-UHFFFAOYSA-N 1 2 425.574 -0.384 20 0 IBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000555679515 1073374668 /nfs/dbraw/zinc/37/46/68/1073374668.db2.gz UXIDAHHFNAJCAD-PMACEKPBSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000555679515 1073374656 /nfs/dbraw/zinc/37/46/56/1073374656.db2.gz UXIDAHHFNAJCAD-PMACEKPBSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000555679517 1073374698 /nfs/dbraw/zinc/37/46/98/1073374698.db2.gz UXIDAHHFNAJCAD-UXHICEINSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000555679517 1073374688 /nfs/dbraw/zinc/37/46/88/1073374688.db2.gz UXIDAHHFNAJCAD-UXHICEINSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000555679518 1073374973 /nfs/dbraw/zinc/37/49/73/1073374973.db2.gz UXIDAHHFNAJCAD-VQTJNVASSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000555679518 1073374960 /nfs/dbraw/zinc/37/49/60/1073374960.db2.gz UXIDAHHFNAJCAD-VQTJNVASSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000555679519 1073374808 /nfs/dbraw/zinc/37/48/08/1073374808.db2.gz UXIDAHHFNAJCAD-WOJBJXKFSA-N 1 2 444.532 -0.147 20 0 IBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000555679519 1073374797 /nfs/dbraw/zinc/37/47/97/1073374797.db2.gz UXIDAHHFNAJCAD-WOJBJXKFSA-N 1 2 444.532 -0.147 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000555681051 1073375776 /nfs/dbraw/zinc/37/57/76/1073375776.db2.gz CPLHVAGJHHQOFO-FQEVSTJZSA-N 1 2 445.564 -0.328 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000555681051 1073375770 /nfs/dbraw/zinc/37/57/70/1073375770.db2.gz CPLHVAGJHHQOFO-FQEVSTJZSA-N 1 2 445.564 -0.328 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000555681052 1073375561 /nfs/dbraw/zinc/37/55/61/1073375561.db2.gz CPLHVAGJHHQOFO-HXUWFJFHSA-N 1 2 445.564 -0.328 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000555681052 1073375554 /nfs/dbraw/zinc/37/55/54/1073375554.db2.gz CPLHVAGJHHQOFO-HXUWFJFHSA-N 1 2 445.564 -0.328 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555681192 1073375539 /nfs/dbraw/zinc/37/55/39/1073375539.db2.gz XGUXILMHOJCUQG-GOSISDBHSA-N 1 2 440.566 -0.209 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555681192 1073375533 /nfs/dbraw/zinc/37/55/33/1073375533.db2.gz XGUXILMHOJCUQG-GOSISDBHSA-N 1 2 440.566 -0.209 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555681193 1073375803 /nfs/dbraw/zinc/37/58/03/1073375803.db2.gz XGUXILMHOJCUQG-SFHVURJKSA-N 1 2 440.566 -0.209 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555681193 1073375796 /nfs/dbraw/zinc/37/57/96/1073375796.db2.gz XGUXILMHOJCUQG-SFHVURJKSA-N 1 2 440.566 -0.209 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000555682099 1073375678 /nfs/dbraw/zinc/37/56/78/1073375678.db2.gz JJCRBYHYAABQNL-IBGZPJMESA-N 1 2 431.537 -0.716 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000555682099 1073375672 /nfs/dbraw/zinc/37/56/72/1073375672.db2.gz JJCRBYHYAABQNL-IBGZPJMESA-N 1 2 431.537 -0.716 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000555682100 1073375595 /nfs/dbraw/zinc/37/55/95/1073375595.db2.gz JJCRBYHYAABQNL-LJQANCHMSA-N 1 2 431.537 -0.716 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000555682100 1073375590 /nfs/dbraw/zinc/37/55/90/1073375590.db2.gz JJCRBYHYAABQNL-LJQANCHMSA-N 1 2 431.537 -0.716 20 0 IBADLO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1Cl ZINC000555703861 1073377022 /nfs/dbraw/zinc/37/70/22/1073377022.db2.gz OKHQROFLCFQPEY-INIZCTEOSA-N 1 2 448.915 -0.584 20 0 IBADLO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1Cl ZINC000555703862 1073377053 /nfs/dbraw/zinc/37/70/53/1073377053.db2.gz OKHQROFLCFQPEY-MRXNPFEDSA-N 1 2 448.915 -0.584 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000555723042 1073376901 /nfs/dbraw/zinc/37/69/01/1073376901.db2.gz YKYFQIUZXLOIAJ-UHFFFAOYSA-N 1 2 427.433 -0.189 20 0 IBADLO COc1nc(N2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)ncc1Br ZINC000555723959 1073377438 /nfs/dbraw/zinc/37/74/38/1073377438.db2.gz CPAYAWDLDSJRIK-UHFFFAOYSA-N 1 2 438.286 -0.091 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000555723978 1073377458 /nfs/dbraw/zinc/37/74/58/1073377458.db2.gz DDBPCJKXQACHAW-UHFFFAOYSA-N 1 2 427.508 -0.602 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000555724835 1073377845 /nfs/dbraw/zinc/37/78/45/1073377845.db2.gz LBCAROMVRAQMJG-UHFFFAOYSA-N 1 2 434.522 -0.748 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1)NC1CC1 ZINC000555741080 1073379471 /nfs/dbraw/zinc/37/94/71/1073379471.db2.gz RCVWWRMCPBVAFQ-UHFFFAOYSA-N 1 2 443.548 -0.442 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)n1 ZINC000555741880 1073363712 /nfs/dbraw/zinc/36/37/12/1073363712.db2.gz YBSVWOXHMKQUDK-UHFFFAOYSA-N 1 2 445.549 -0.083 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000555798004 1073382163 /nfs/dbraw/zinc/38/21/63/1073382163.db2.gz OBTJAOBFWRPHDM-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000555798004 1073382158 /nfs/dbraw/zinc/38/21/58/1073382158.db2.gz OBTJAOBFWRPHDM-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)[C@@H](C)C1 ZINC000555798315 1073382226 /nfs/dbraw/zinc/38/22/26/1073382226.db2.gz XHNYVAWJKCWRIO-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)[C@@H](C)C1 ZINC000555798315 1073382218 /nfs/dbraw/zinc/38/22/18/1073382218.db2.gz XHNYVAWJKCWRIO-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)[C@H](C)C1 ZINC000555798316 1073382301 /nfs/dbraw/zinc/38/23/01/1073382301.db2.gz XHNYVAWJKCWRIO-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)[C@H](C)C1 ZINC000555798316 1073382296 /nfs/dbraw/zinc/38/22/96/1073382296.db2.gz XHNYVAWJKCWRIO-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000555800432 1073382817 /nfs/dbraw/zinc/38/28/17/1073382817.db2.gz ZUXKTGKMJDZBLU-UHFFFAOYSA-N 1 2 430.552 -0.451 20 0 IBADLO COc1ccc([C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2nccn2C)cc1 ZINC000555826519 1073383481 /nfs/dbraw/zinc/38/34/81/1073383481.db2.gz PSTSBLNPDJXTQD-HKUYNNGSSA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccc([C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2nccn2C)cc1 ZINC000555826529 1073383355 /nfs/dbraw/zinc/38/33/55/1073383355.db2.gz PSTSBLNPDJXTQD-IEBWSBKVSA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccc([C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2nccn2C)cc1 ZINC000555826531 1073383438 /nfs/dbraw/zinc/38/34/38/1073383438.db2.gz PSTSBLNPDJXTQD-MJGOQNOKSA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccc([C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2nccn2C)cc1 ZINC000555826534 1073383417 /nfs/dbraw/zinc/38/34/17/1073383417.db2.gz PSTSBLNPDJXTQD-PKOBYXMFSA-N 1 2 445.520 -0.214 20 0 IBADLO Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000555829351 1073383798 /nfs/dbraw/zinc/38/37/98/1073383798.db2.gz YGIGKKRJFIVYJO-MSOLQXFVSA-N 1 2 438.525 -0.771 20 0 IBADLO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000555829352 1073383773 /nfs/dbraw/zinc/38/37/73/1073383773.db2.gz YGIGKKRJFIVYJO-QZTJIDSGSA-N 1 2 438.525 -0.771 20 0 IBADLO Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000555829353 1073383722 /nfs/dbraw/zinc/38/37/22/1073383722.db2.gz YGIGKKRJFIVYJO-ROUUACIJSA-N 1 2 438.525 -0.771 20 0 IBADLO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000555829354 1073383819 /nfs/dbraw/zinc/38/38/19/1073383819.db2.gz YGIGKKRJFIVYJO-ZWKOTPCHSA-N 1 2 438.525 -0.771 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000555854530 1073384500 /nfs/dbraw/zinc/38/45/00/1073384500.db2.gz ZXQOKMFOTCJMCL-UHFFFAOYSA-N 1 2 441.496 -0.954 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555854802 1073384538 /nfs/dbraw/zinc/38/45/38/1073384538.db2.gz FJLWWVQINWGVAV-MOPGFXCFSA-N 1 2 437.585 -0.386 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555854803 1073384569 /nfs/dbraw/zinc/38/45/69/1073384569.db2.gz FJLWWVQINWGVAV-OALUTQOASA-N 1 2 437.585 -0.386 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555854804 1073384488 /nfs/dbraw/zinc/38/44/88/1073384488.db2.gz FJLWWVQINWGVAV-RBUKOAKNSA-N 1 2 437.585 -0.386 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555854805 1073384678 /nfs/dbraw/zinc/38/46/78/1073384678.db2.gz FJLWWVQINWGVAV-RTBURBONSA-N 1 2 437.585 -0.386 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000555854960 1073384585 /nfs/dbraw/zinc/38/45/85/1073384585.db2.gz JYNINOCTXDDINB-DLBZAZTESA-N 1 2 444.540 -0.366 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[NH+]1CCOCC1 ZINC000555854961 1073384512 /nfs/dbraw/zinc/38/45/12/1073384512.db2.gz JYNINOCTXDDINB-IAGOWNOFSA-N 1 2 444.540 -0.366 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000555854962 1073384737 /nfs/dbraw/zinc/38/47/37/1073384737.db2.gz JYNINOCTXDDINB-IRXDYDNUSA-N 1 2 444.540 -0.366 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[NH+]1CCOCC1 ZINC000555854963 1073384651 /nfs/dbraw/zinc/38/46/51/1073384651.db2.gz JYNINOCTXDDINB-SJORKVTESA-N 1 2 444.540 -0.366 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555856146 1073385170 /nfs/dbraw/zinc/38/51/70/1073385170.db2.gz HYCLEKTVKVNFIA-GOSISDBHSA-N 1 2 425.574 -0.528 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555856147 1073385138 /nfs/dbraw/zinc/38/51/38/1073385138.db2.gz HYCLEKTVKVNFIA-SFHVURJKSA-N 1 2 425.574 -0.528 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC000555856237 1073385185 /nfs/dbraw/zinc/38/51/85/1073385185.db2.gz NHTOHVANXUNBHX-HNNXBMFYSA-N 1 2 446.595 -0.076 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC000555856238 1073385062 /nfs/dbraw/zinc/38/50/62/1073385062.db2.gz NHTOHVANXUNBHX-OAHLLOKOSA-N 1 2 446.595 -0.076 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555857229 1073385944 /nfs/dbraw/zinc/38/59/44/1073385944.db2.gz FHHCAEVXBDEKRH-KRWDZBQOSA-N 1 2 432.587 -0.220 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555857232 1073386176 /nfs/dbraw/zinc/38/61/76/1073386176.db2.gz FHHCAEVXBDEKRH-QGZVFWFLSA-N 1 2 432.587 -0.220 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000555857658 1073386092 /nfs/dbraw/zinc/38/60/92/1073386092.db2.gz LNSZNMYPSVEKCD-KRWDZBQOSA-N 1 2 426.539 -0.316 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000555857660 1073386012 /nfs/dbraw/zinc/38/60/12/1073386012.db2.gz LNSZNMYPSVEKCD-QGZVFWFLSA-N 1 2 426.539 -0.316 20 0 IBADLO Cc1ccc2nc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2c1 ZINC000555860616 1073386472 /nfs/dbraw/zinc/38/64/72/1073386472.db2.gz KMKRNOUVQCMQSK-UHFFFAOYSA-N 1 2 435.554 -0.038 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000555878565 1073387465 /nfs/dbraw/zinc/38/74/65/1073387465.db2.gz WNXSNTFJRLSKAN-UHFFFAOYSA-N 1 2 432.521 -0.044 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000555895750 1073388348 /nfs/dbraw/zinc/38/83/48/1073388348.db2.gz CENXRHVPAUOLQJ-UHFFFAOYSA-N 1 2 426.539 -0.266 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000555897615 1073388659 /nfs/dbraw/zinc/38/86/59/1073388659.db2.gz HNJCFQRXJGIXLA-MSOLQXFVSA-N 1 2 438.550 -0.159 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000555897617 1073388764 /nfs/dbraw/zinc/38/87/64/1073388764.db2.gz HNJCFQRXJGIXLA-QZTJIDSGSA-N 1 2 438.550 -0.159 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000555897618 1073388741 /nfs/dbraw/zinc/38/87/41/1073388741.db2.gz HNJCFQRXJGIXLA-ROUUACIJSA-N 1 2 438.550 -0.159 20 0 IBADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000555897776 1073388631 /nfs/dbraw/zinc/38/86/31/1073388631.db2.gz HNJCFQRXJGIXLA-ZWKOTPCHSA-N 1 2 438.550 -0.159 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000555901962 1073390092 /nfs/dbraw/zinc/39/00/92/1073390092.db2.gz USTHBNJBKZQXRX-UHFFFAOYSA-N 1 2 426.539 -0.350 20 0 IBADLO COc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccn1 ZINC000555902485 1073389813 /nfs/dbraw/zinc/38/98/13/1073389813.db2.gz YQTLJNQVELPEJH-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ccn1 ZINC000555902485 1073389806 /nfs/dbraw/zinc/38/98/06/1073389806.db2.gz YQTLJNQVELPEJH-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[NH+]1CCOCC1 ZINC000555906639 1073390105 /nfs/dbraw/zinc/39/01/05/1073390105.db2.gz TXZSLTPEAONOCJ-KRWDZBQOSA-N 1 2 436.557 -0.250 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[NH+]1CCOCC1 ZINC000555906640 1073390157 /nfs/dbraw/zinc/39/01/57/1073390157.db2.gz TXZSLTPEAONOCJ-QGZVFWFLSA-N 1 2 436.557 -0.250 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1)[NH+]1CCOCC1 ZINC000555908059 1073391250 /nfs/dbraw/zinc/39/12/50/1073391250.db2.gz JVOOBIRUBLFBTI-DLBZAZTESA-N 1 2 432.587 -0.222 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1)[NH+]1CCOCC1 ZINC000555908061 1073391089 /nfs/dbraw/zinc/39/10/89/1073391089.db2.gz JVOOBIRUBLFBTI-IAGOWNOFSA-N 1 2 432.587 -0.222 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1)[NH+]1CCOCC1 ZINC000555908063 1073391193 /nfs/dbraw/zinc/39/11/93/1073391193.db2.gz JVOOBIRUBLFBTI-IRXDYDNUSA-N 1 2 432.587 -0.222 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1)[NH+]1CCOCC1 ZINC000555908064 1073391266 /nfs/dbraw/zinc/39/12/66/1073391266.db2.gz JVOOBIRUBLFBTI-SJORKVTESA-N 1 2 432.587 -0.222 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000555908488 1073390655 /nfs/dbraw/zinc/39/06/55/1073390655.db2.gz MVZCGOSYVUEIJA-MSOLQXFVSA-N 1 2 444.598 -0.124 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000555908494 1073390739 /nfs/dbraw/zinc/39/07/39/1073390739.db2.gz MVZCGOSYVUEIJA-QZTJIDSGSA-N 1 2 444.598 -0.124 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000555908495 1073390730 /nfs/dbraw/zinc/39/07/30/1073390730.db2.gz MVZCGOSYVUEIJA-ROUUACIJSA-N 1 2 444.598 -0.124 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000555908496 1073390670 /nfs/dbraw/zinc/39/06/70/1073390670.db2.gz MVZCGOSYVUEIJA-ZWKOTPCHSA-N 1 2 444.598 -0.124 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)N1CCOCC1 ZINC000555908539 1073390719 /nfs/dbraw/zinc/39/07/19/1073390719.db2.gz IVJLXZXAXUSIIJ-UHFFFAOYSA-N 1 2 444.536 -0.699 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000555908620 1073390535 /nfs/dbraw/zinc/39/05/35/1073390535.db2.gz MDFANGVJQAOCFN-KRWDZBQOSA-N 1 2 434.541 -0.708 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000555908621 1073390610 /nfs/dbraw/zinc/39/06/10/1073390610.db2.gz MDFANGVJQAOCFN-QGZVFWFLSA-N 1 2 434.541 -0.708 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000555909613 1073391167 /nfs/dbraw/zinc/39/11/67/1073391167.db2.gz SDRAHBKEDNEKTH-AEFFLSMTSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000555909614 1073390977 /nfs/dbraw/zinc/39/09/77/1073390977.db2.gz SDRAHBKEDNEKTH-FUHWJXTLSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000555909615 1073391133 /nfs/dbraw/zinc/39/11/33/1073391133.db2.gz SDRAHBKEDNEKTH-SJLPKXTDSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000555909616 1073391180 /nfs/dbraw/zinc/39/11/80/1073391180.db2.gz SDRAHBKEDNEKTH-WMZOPIPTSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000555909777 1073391211 /nfs/dbraw/zinc/39/12/11/1073391211.db2.gz VOQDEOWOIRFMQX-KRWDZBQOSA-N 1 2 446.552 -0.308 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000555909780 1073391035 /nfs/dbraw/zinc/39/10/35/1073391035.db2.gz VOQDEOWOIRFMQX-QGZVFWFLSA-N 1 2 446.552 -0.308 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC2)ncn1 ZINC000555910281 1073391609 /nfs/dbraw/zinc/39/16/09/1073391609.db2.gz UCEOJFAVIAOPDX-KRWDZBQOSA-N 1 2 434.541 -0.003 20 0 IBADLO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)CC2)ncn1 ZINC000555910284 1073391526 /nfs/dbraw/zinc/39/15/26/1073391526.db2.gz UCEOJFAVIAOPDX-QGZVFWFLSA-N 1 2 434.541 -0.003 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000555910380 1073391018 /nfs/dbraw/zinc/39/10/18/1073391018.db2.gz VQGGXQXFBZMBGT-LMMKCTJWSA-N 1 2 434.541 -0.281 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000555910381 1073391051 /nfs/dbraw/zinc/39/10/51/1073391051.db2.gz VQGGXQXFBZMBGT-SCTDSRPQSA-N 1 2 434.541 -0.281 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555910781 1073391298 /nfs/dbraw/zinc/39/12/98/1073391298.db2.gz ZWIHCWZVNLDZMJ-DLBZAZTESA-N 1 2 432.587 -0.363 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555910783 1073390999 /nfs/dbraw/zinc/39/09/99/1073390999.db2.gz ZWIHCWZVNLDZMJ-IAGOWNOFSA-N 1 2 432.587 -0.363 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555910785 1073391282 /nfs/dbraw/zinc/39/12/82/1073391282.db2.gz ZWIHCWZVNLDZMJ-IRXDYDNUSA-N 1 2 432.587 -0.363 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555910787 1073391070 /nfs/dbraw/zinc/39/10/70/1073391070.db2.gz ZWIHCWZVNLDZMJ-SJORKVTESA-N 1 2 432.587 -0.363 20 0 IBADLO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914222 1073392877 /nfs/dbraw/zinc/39/28/77/1073392877.db2.gz RDNKYIKYXWGZRQ-GOSISDBHSA-N 1 2 447.584 -0.592 20 0 IBADLO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914223 1073392623 /nfs/dbraw/zinc/39/26/23/1073392623.db2.gz RDNKYIKYXWGZRQ-SFHVURJKSA-N 1 2 447.584 -0.592 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000555915916 1073393136 /nfs/dbraw/zinc/39/31/36/1073393136.db2.gz VBXBMHPUSWGNBD-UHFFFAOYSA-N 1 2 437.541 -0.072 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000555920865 1073391683 /nfs/dbraw/zinc/39/16/83/1073391683.db2.gz GQHHLQOYYYEZDX-IBGZPJMESA-N 1 2 432.569 -0.077 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000555920866 1073391571 /nfs/dbraw/zinc/39/15/71/1073391571.db2.gz GQHHLQOYYYEZDX-LJQANCHMSA-N 1 2 432.569 -0.077 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000555922440 1073392354 /nfs/dbraw/zinc/39/23/54/1073392354.db2.gz QQNHGGIPOSLQCO-IBGZPJMESA-N 1 2 432.569 -0.077 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000555922441 1073392323 /nfs/dbraw/zinc/39/23/23/1073392323.db2.gz QQNHGGIPOSLQCO-LJQANCHMSA-N 1 2 432.569 -0.077 20 0 IBADLO CC[C@@H](COC)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555935489 1073395347 /nfs/dbraw/zinc/39/53/47/1073395347.db2.gz IKOGCUOVMHEANX-HNNXBMFYSA-N 1 2 427.527 -0.809 20 0 IBADLO CC[C@H](COC)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555935499 1073395392 /nfs/dbraw/zinc/39/53/92/1073395392.db2.gz IKOGCUOVMHEANX-OAHLLOKOSA-N 1 2 427.527 -0.809 20 0 IBADLO O=C(NCCc1ccncc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555945220 1073395799 /nfs/dbraw/zinc/39/57/99/1073395799.db2.gz ZMMNTOJHNQETDH-UHFFFAOYSA-N 1 2 446.533 -0.597 20 0 IBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555954114 1073395885 /nfs/dbraw/zinc/39/58/85/1073395885.db2.gz VYDKZHZQAOOVSC-UHFFFAOYSA-N 1 2 443.464 -0.605 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000555964497 1073396832 /nfs/dbraw/zinc/39/68/32/1073396832.db2.gz KPGQDHKQWJLMTQ-UHFFFAOYSA-N 1 2 432.587 -0.124 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1 ZINC000555968724 1073398019 /nfs/dbraw/zinc/39/80/19/1073398019.db2.gz FFXPOQZCUGXGNN-LLVKDONJSA-N 1 2 434.457 -0.639 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1 ZINC000555968736 1073398049 /nfs/dbraw/zinc/39/80/49/1073398049.db2.gz FFXPOQZCUGXGNN-NSHDSACASA-N 1 2 434.457 -0.639 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000555973770 1073397471 /nfs/dbraw/zinc/39/74/71/1073397471.db2.gz IVEWWXPKORPXMG-UHFFFAOYSA-N 1 2 434.456 -0.161 20 0 IBADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000555986351 1073400022 /nfs/dbraw/zinc/40/00/22/1073400022.db2.gz XSYHWRNKJYHTRY-KRWDZBQOSA-N 1 2 438.488 -0.376 20 0 IBADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000555986352 1073399900 /nfs/dbraw/zinc/39/99/00/1073399900.db2.gz XSYHWRNKJYHTRY-QGZVFWFLSA-N 1 2 438.488 -0.376 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000555986832 1073399866 /nfs/dbraw/zinc/39/98/66/1073399866.db2.gz HWBLXLRLIFWISB-GOSISDBHSA-N 1 2 438.488 -0.238 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000555986833 1073399851 /nfs/dbraw/zinc/39/98/51/1073399851.db2.gz HWBLXLRLIFWISB-SFHVURJKSA-N 1 2 438.488 -0.238 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)CCO1 ZINC000555990824 1073402337 /nfs/dbraw/zinc/40/23/37/1073402337.db2.gz CWZWFSCQPCRGSL-AEFFLSMTSA-N 1 2 435.525 -0.926 20 0 IBADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)CCO1 ZINC000555990825 1073402228 /nfs/dbraw/zinc/40/22/28/1073402228.db2.gz CWZWFSCQPCRGSL-FUHWJXTLSA-N 1 2 435.525 -0.926 20 0 IBADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)CCO1 ZINC000555990826 1073402125 /nfs/dbraw/zinc/40/21/25/1073402125.db2.gz CWZWFSCQPCRGSL-SJLPKXTDSA-N 1 2 435.525 -0.926 20 0 IBADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)CCO1 ZINC000555990827 1073402348 /nfs/dbraw/zinc/40/23/48/1073402348.db2.gz CWZWFSCQPCRGSL-WMZOPIPTSA-N 1 2 435.525 -0.926 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)[C@@H](C)C1 ZINC000556007654 1073404182 /nfs/dbraw/zinc/40/41/82/1073404182.db2.gz ORTAVLVGTVGOFA-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)[C@@H](C)C1 ZINC000556007654 1073404178 /nfs/dbraw/zinc/40/41/78/1073404178.db2.gz ORTAVLVGTVGOFA-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)[C@H](C)C1 ZINC000556007655 1073404423 /nfs/dbraw/zinc/40/44/23/1073404423.db2.gz ORTAVLVGTVGOFA-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)[C@H](C)C1 ZINC000556007655 1073404420 /nfs/dbraw/zinc/40/44/20/1073404420.db2.gz ORTAVLVGTVGOFA-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000556012770 1073404826 /nfs/dbraw/zinc/40/48/26/1073404826.db2.gz OIQOSULPPSBWGC-AWEZNQCLSA-N 1 2 434.415 -0.210 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000556012771 1073404915 /nfs/dbraw/zinc/40/49/15/1073404915.db2.gz OIQOSULPPSBWGC-CQSZACIVSA-N 1 2 434.415 -0.210 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000556059073 1072812081 /nfs/dbraw/zinc/81/20/81/1072812081.db2.gz IVRPPBNCWKIFGW-IBGZPJMESA-N 1 2 432.521 -0.423 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000556059074 1072812846 /nfs/dbraw/zinc/81/28/46/1072812846.db2.gz IVRPPBNCWKIFGW-LJQANCHMSA-N 1 2 432.521 -0.423 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000556106547 1072820351 /nfs/dbraw/zinc/82/03/51/1072820351.db2.gz LODZXUGXFAROJI-MOPGFXCFSA-N 1 2 432.521 -0.382 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000556106548 1072820693 /nfs/dbraw/zinc/82/06/93/1072820693.db2.gz LODZXUGXFAROJI-OALUTQOASA-N 1 2 432.521 -0.382 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000556106549 1072820594 /nfs/dbraw/zinc/82/05/94/1072820594.db2.gz LODZXUGXFAROJI-RBUKOAKNSA-N 1 2 432.521 -0.382 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000556106550 1072820446 /nfs/dbraw/zinc/82/04/46/1072820446.db2.gz LODZXUGXFAROJI-RTBURBONSA-N 1 2 432.521 -0.382 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000556113266 1072821792 /nfs/dbraw/zinc/82/17/92/1072821792.db2.gz HWPKCTYGWOOZLV-MSOLQXFVSA-N 1 2 438.550 -0.030 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000556113294 1072821868 /nfs/dbraw/zinc/82/18/68/1072821868.db2.gz HWPKCTYGWOOZLV-QZTJIDSGSA-N 1 2 438.550 -0.030 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000556113296 1072821837 /nfs/dbraw/zinc/82/18/37/1072821837.db2.gz HWPKCTYGWOOZLV-ROUUACIJSA-N 1 2 438.550 -0.030 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000556113297 1072821847 /nfs/dbraw/zinc/82/18/47/1072821847.db2.gz HWPKCTYGWOOZLV-ZWKOTPCHSA-N 1 2 438.550 -0.030 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000556116753 1072822213 /nfs/dbraw/zinc/82/22/13/1072822213.db2.gz ZVLMBWGRXQKZSA-UHFFFAOYSA-N 1 2 426.539 -0.220 20 0 IBADLO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000556135333 1072823404 /nfs/dbraw/zinc/82/34/04/1072823404.db2.gz CPHYQRLLILUNIE-UHFFFAOYSA-N 1 2 436.476 -0.312 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151830 1072824699 /nfs/dbraw/zinc/82/46/99/1072824699.db2.gz ZOVWDPGXNFIQKT-PMACEKPBSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151831 1072824520 /nfs/dbraw/zinc/82/45/20/1072824520.db2.gz ZOVWDPGXNFIQKT-UXHICEINSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151832 1072824535 /nfs/dbraw/zinc/82/45/35/1072824535.db2.gz ZOVWDPGXNFIQKT-VQTJNVASSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151833 1072824477 /nfs/dbraw/zinc/82/44/77/1072824477.db2.gz ZOVWDPGXNFIQKT-WOJBJXKFSA-N 1 2 434.537 -0.672 20 0 IBADLO COCCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556172379 1072827980 /nfs/dbraw/zinc/82/79/80/1072827980.db2.gz KHRUJIKQKFXTTQ-UHFFFAOYSA-N 1 2 427.527 -0.856 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCSCC1 ZINC000556172537 1072828018 /nfs/dbraw/zinc/82/80/18/1072828018.db2.gz MWZJUVBGZCCAOR-UHFFFAOYSA-N 1 2 441.579 -0.385 20 0 IBADLO CN(Cc1ccco1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556172650 1072828077 /nfs/dbraw/zinc/82/80/77/1072828077.db2.gz RQIGRWLHBDHQOP-UHFFFAOYSA-N 1 2 435.506 -0.099 20 0 IBADLO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000556172971 1072827785 /nfs/dbraw/zinc/82/77/85/1072827785.db2.gz FZOUGTWRWORSAZ-CVEARBPZSA-N 1 2 439.538 -0.667 20 0 IBADLO CO[C@H]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000556172972 1072828055 /nfs/dbraw/zinc/82/80/55/1072828055.db2.gz FZOUGTWRWORSAZ-HOTGVXAUSA-N 1 2 439.538 -0.667 20 0 IBADLO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000556172973 1072827812 /nfs/dbraw/zinc/82/78/12/1072827812.db2.gz FZOUGTWRWORSAZ-HZPDHXFCSA-N 1 2 439.538 -0.667 20 0 IBADLO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000556172974 1072827962 /nfs/dbraw/zinc/82/79/62/1072827962.db2.gz FZOUGTWRWORSAZ-JKSUJKDBSA-N 1 2 439.538 -0.667 20 0 IBADLO CN(Cc1cccnc1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556173124 1072827729 /nfs/dbraw/zinc/82/77/29/1072827729.db2.gz LMCLCWKOTXNJKC-UHFFFAOYSA-N 1 2 446.533 -0.297 20 0 IBADLO O=C(NCC[C@H]1CCOC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556174567 1072827920 /nfs/dbraw/zinc/82/79/20/1072827920.db2.gz NOXKKZCIZFTRFU-INIZCTEOSA-N 1 2 439.538 -0.808 20 0 IBADLO O=C(NCC[C@@H]1CCOC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556174568 1072827941 /nfs/dbraw/zinc/82/79/41/1072827941.db2.gz NOXKKZCIZFTRFU-MRXNPFEDSA-N 1 2 439.538 -0.808 20 0 IBADLO CCN(CC(C)(C)O)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556181246 1072830480 /nfs/dbraw/zinc/83/04/80/1072830480.db2.gz GKWUBYNRCWOVTC-UHFFFAOYSA-N 1 2 441.554 -0.731 20 0 IBADLO COC[C@@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556181274 1072830723 /nfs/dbraw/zinc/83/07/23/1072830723.db2.gz HWXXWZOOANWADG-HNNXBMFYSA-N 1 2 427.527 -0.952 20 0 IBADLO COC[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556181275 1072830364 /nfs/dbraw/zinc/83/03/64/1072830364.db2.gz HWXXWZOOANWADG-OAHLLOKOSA-N 1 2 427.527 -0.952 20 0 IBADLO CCSCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556181381 1072830588 /nfs/dbraw/zinc/83/05/88/1072830588.db2.gz OEJFLCVAWBXQRY-UHFFFAOYSA-N 1 2 443.595 -0.091 20 0 IBADLO Cc1cncc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000556181421 1072830621 /nfs/dbraw/zinc/83/06/21/1072830621.db2.gz RJMJGLDNHPCECW-UHFFFAOYSA-N 1 2 446.533 -0.331 20 0 IBADLO Cc1c(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000556181431 1072830327 /nfs/dbraw/zinc/83/03/27/1072830327.db2.gz SAFSKVMDNUHDHU-UHFFFAOYSA-N 1 2 449.537 -0.992 20 0 IBADLO CN(Cc1ccon1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556181455 1072830787 /nfs/dbraw/zinc/83/07/87/1072830787.db2.gz TUIUEFXVLNCXHO-UHFFFAOYSA-N 1 2 436.494 -0.704 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000556181600 1072827863 /nfs/dbraw/zinc/82/78/63/1072827863.db2.gz BVOJVHPFTVXOQU-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000556181601 1072828118 /nfs/dbraw/zinc/82/81/18/1072828118.db2.gz BVOJVHPFTVXOQU-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556182555 1072830564 /nfs/dbraw/zinc/83/05/64/1072830564.db2.gz YSODPUAPWFSCIZ-CVEARBPZSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000556182557 1072830429 /nfs/dbraw/zinc/83/04/29/1072830429.db2.gz YSODPUAPWFSCIZ-HOTGVXAUSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000556182558 1072830650 /nfs/dbraw/zinc/83/06/50/1072830650.db2.gz YSODPUAPWFSCIZ-HZPDHXFCSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000556182560 1072830397 /nfs/dbraw/zinc/83/03/97/1072830397.db2.gz YSODPUAPWFSCIZ-JKSUJKDBSA-N 1 2 439.538 -0.715 20 0 IBADLO CN(C[C@@H]1CCOC1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556182587 1072830698 /nfs/dbraw/zinc/83/06/98/1072830698.db2.gz ZFGZKPUJHPOZPW-INIZCTEOSA-N 1 2 439.538 -0.856 20 0 IBADLO CN(C[C@H]1CCOC1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556182588 1072830744 /nfs/dbraw/zinc/83/07/44/1072830744.db2.gz ZFGZKPUJHPOZPW-MRXNPFEDSA-N 1 2 439.538 -0.856 20 0 IBADLO Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000556188177 1072829849 /nfs/dbraw/zinc/82/98/49/1072829849.db2.gz JFBJAPUEUCSBSC-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000556188177 1072829841 /nfs/dbraw/zinc/82/98/41/1072829841.db2.gz JFBJAPUEUCSBSC-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000556190231 1072830541 /nfs/dbraw/zinc/83/05/41/1072830541.db2.gz STCVLBCBLNCEJR-UHFFFAOYSA-N 1 2 446.533 -0.331 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556192543 1072831008 /nfs/dbraw/zinc/83/10/08/1072831008.db2.gz AZSFPBMKVYXHQS-UHFFFAOYSA-N 1 2 448.543 -0.656 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000556193505 1072831692 /nfs/dbraw/zinc/83/16/92/1072831692.db2.gz NATWAISZOHISDA-UHFFFAOYSA-N 1 2 443.577 -0.049 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000556193505 1072831678 /nfs/dbraw/zinc/83/16/78/1072831678.db2.gz NATWAISZOHISDA-UHFFFAOYSA-N 1 2 443.577 -0.049 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000556196971 1072831737 /nfs/dbraw/zinc/83/17/37/1072831737.db2.gz HMEYRUWPBWDBNQ-UHFFFAOYSA-N 1 2 425.537 -0.008 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556197984 1072831601 /nfs/dbraw/zinc/83/16/01/1072831601.db2.gz OPJYVLYCNZSAKC-GOSISDBHSA-N 1 2 437.566 -0.535 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556197985 1072831620 /nfs/dbraw/zinc/83/16/20/1072831620.db2.gz OPJYVLYCNZSAKC-SFHVURJKSA-N 1 2 437.566 -0.535 20 0 IBADLO C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556198717 1072832609 /nfs/dbraw/zinc/83/26/09/1072832609.db2.gz WIDSFFYKQVDHCX-CTNGQTDRSA-N 1 2 447.580 -0.535 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556198718 1072832365 /nfs/dbraw/zinc/83/23/65/1072832365.db2.gz WIDSFFYKQVDHCX-FPOVZHCZSA-N 1 2 447.580 -0.535 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556198719 1072832480 /nfs/dbraw/zinc/83/24/80/1072832480.db2.gz WIDSFFYKQVDHCX-PZJWPPBQSA-N 1 2 447.580 -0.535 20 0 IBADLO C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556198720 1072832624 /nfs/dbraw/zinc/83/26/24/1072832624.db2.gz WIDSFFYKQVDHCX-TZIWHRDSSA-N 1 2 447.580 -0.535 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556199464 1072832956 /nfs/dbraw/zinc/83/29/56/1072832956.db2.gz LVBKJUPMWCZTQS-UHFFFAOYSA-N 1 2 431.537 -0.322 20 0 IBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556199651 1072833001 /nfs/dbraw/zinc/83/30/01/1072833001.db2.gz RYBQUTFOJPBRLY-GOSISDBHSA-N 1 2 428.537 -0.013 20 0 IBADLO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556199652 1072833293 /nfs/dbraw/zinc/83/32/93/1072833293.db2.gz RYBQUTFOJPBRLY-SFHVURJKSA-N 1 2 428.537 -0.013 20 0 IBADLO O=C(N[C@H]1CCc2n[nH]cc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556236069 1072834961 /nfs/dbraw/zinc/83/49/61/1072834961.db2.gz HAKQFIUAZBCAPG-INIZCTEOSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@H]1CCc2n[nH]cc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556236069 1072834947 /nfs/dbraw/zinc/83/49/47/1072834947.db2.gz HAKQFIUAZBCAPG-INIZCTEOSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@@H]1CCc2n[nH]cc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556236070 1072834627 /nfs/dbraw/zinc/83/46/27/1072834627.db2.gz HAKQFIUAZBCAPG-MRXNPFEDSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(N[C@@H]1CCc2n[nH]cc2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556236070 1072834614 /nfs/dbraw/zinc/83/46/14/1072834614.db2.gz HAKQFIUAZBCAPG-MRXNPFEDSA-N 1 2 440.508 -0.641 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000556236696 1072835353 /nfs/dbraw/zinc/83/53/53/1072835353.db2.gz CYYFFYYKGSZSGE-INIZCTEOSA-N 1 2 425.493 -0.367 20 0 IBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000556236699 1072835503 /nfs/dbraw/zinc/83/55/03/1072835503.db2.gz CYYFFYYKGSZSGE-MRXNPFEDSA-N 1 2 425.493 -0.367 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556242821 1072835533 /nfs/dbraw/zinc/83/55/33/1072835533.db2.gz VOTUMOMJDHGCFP-UHFFFAOYSA-N 1 2 441.579 -0.339 20 0 IBADLO CCc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000556266039 1072837261 /nfs/dbraw/zinc/83/72/61/1072837261.db2.gz FGEGDGYLXDLBKW-UHFFFAOYSA-N 1 2 443.595 -0.437 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556272472 1072838301 /nfs/dbraw/zinc/83/83/01/1072838301.db2.gz DVFKSMCSLABABK-UHFFFAOYSA-N 1 2 425.493 -0.279 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000556307890 1072842571 /nfs/dbraw/zinc/84/25/71/1072842571.db2.gz CMABSLDXWYIQBW-CYBMUJFWSA-N 1 2 441.535 -0.213 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000556307894 1072842377 /nfs/dbraw/zinc/84/23/77/1072842377.db2.gz CMABSLDXWYIQBW-ZDUSSCGKSA-N 1 2 441.535 -0.213 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)cs1 ZINC000556310955 1072841454 /nfs/dbraw/zinc/84/14/54/1072841454.db2.gz VXRLRLRXOYZDFW-GFCCVEGCSA-N 1 2 426.524 -0.314 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)cs1 ZINC000556310961 1072841437 /nfs/dbraw/zinc/84/14/37/1072841437.db2.gz VXRLRLRXOYZDFW-LBPRGKRZSA-N 1 2 426.524 -0.314 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000556311721 1072841900 /nfs/dbraw/zinc/84/19/00/1072841900.db2.gz YWEGXYKGYIDTAO-INIZCTEOSA-N 1 2 428.559 -0.101 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000556311722 1072841883 /nfs/dbraw/zinc/84/18/83/1072841883.db2.gz YWEGXYKGYIDTAO-MRXNPFEDSA-N 1 2 428.559 -0.101 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556351089 1072846948 /nfs/dbraw/zinc/84/69/48/1072846948.db2.gz IHPVKFWQFMNUBZ-KRWDZBQOSA-N 1 2 425.457 -0.498 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556351091 1072847181 /nfs/dbraw/zinc/84/71/81/1072847181.db2.gz IHPVKFWQFMNUBZ-QGZVFWFLSA-N 1 2 425.457 -0.498 20 0 IBADLO C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cn1cccn1 ZINC000556371311 1072850914 /nfs/dbraw/zinc/85/09/14/1072850914.db2.gz QQIIACGYQKHBAA-KRWDZBQOSA-N 1 2 427.509 -0.115 20 0 IBADLO C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cn1cccn1 ZINC000556371315 1072850766 /nfs/dbraw/zinc/85/07/66/1072850766.db2.gz QQIIACGYQKHBAA-QGZVFWFLSA-N 1 2 427.509 -0.115 20 0 IBADLO CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC000556507106 1073319034 /nfs/dbraw/zinc/31/90/34/1073319034.db2.gz QJQGBFYQFKIJJJ-UHFFFAOYSA-N 1 2 425.453 0.228 20 0 IBADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000556517774 1072873847 /nfs/dbraw/zinc/87/38/47/1072873847.db2.gz DVLSRNLQNRYDCL-UHFFFAOYSA-N 1 2 432.506 -0.600 20 0 IBADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000556517774 1072873830 /nfs/dbraw/zinc/87/38/30/1072873830.db2.gz DVLSRNLQNRYDCL-UHFFFAOYSA-N 1 2 432.506 -0.600 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[NH+]1CCOCC1 ZINC000556520744 1072874412 /nfs/dbraw/zinc/87/44/12/1072874412.db2.gz VUIIUICUYWEERF-KRWDZBQOSA-N 1 2 433.509 -0.345 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[NH+]1CCOCC1 ZINC000556520756 1072874291 /nfs/dbraw/zinc/87/42/91/1072874291.db2.gz VUIIUICUYWEERF-QGZVFWFLSA-N 1 2 433.509 -0.345 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCn3cc(C(=O)OC)nn3)cc2)CC1 ZINC000556534734 1072876652 /nfs/dbraw/zinc/87/66/52/1072876652.db2.gz WJDXSDKFMUJREM-UHFFFAOYSA-N 1 2 443.508 -0.043 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)[C@@H](C)C1 ZINC000556554689 1072881624 /nfs/dbraw/zinc/88/16/24/1072881624.db2.gz HUPNMZOMSOMPIZ-AWEZNQCLSA-N 1 2 447.492 -0.722 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)[C@@H](C)C1 ZINC000556554689 1072881613 /nfs/dbraw/zinc/88/16/13/1072881613.db2.gz HUPNMZOMSOMPIZ-AWEZNQCLSA-N 1 2 447.492 -0.722 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)[C@H](C)C1 ZINC000556554694 1072881368 /nfs/dbraw/zinc/88/13/68/1072881368.db2.gz HUPNMZOMSOMPIZ-CQSZACIVSA-N 1 2 447.492 -0.722 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)[C@H](C)C1 ZINC000556554694 1072881360 /nfs/dbraw/zinc/88/13/60/1072881360.db2.gz HUPNMZOMSOMPIZ-CQSZACIVSA-N 1 2 447.492 -0.722 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000556594056 1072886698 /nfs/dbraw/zinc/88/66/98/1072886698.db2.gz YICXPCYMJIHLMP-KRWDZBQOSA-N 1 2 446.552 -0.538 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000556594057 1072886857 /nfs/dbraw/zinc/88/68/57/1072886857.db2.gz YICXPCYMJIHLMP-QGZVFWFLSA-N 1 2 446.552 -0.538 20 0 IBADLO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556635675 1072891685 /nfs/dbraw/zinc/89/16/85/1072891685.db2.gz TYCGYVHKBJUVDF-HNNXBMFYSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556635675 1072891677 /nfs/dbraw/zinc/89/16/77/1072891677.db2.gz TYCGYVHKBJUVDF-HNNXBMFYSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556635676 1072891780 /nfs/dbraw/zinc/89/17/80/1072891780.db2.gz TYCGYVHKBJUVDF-OAHLLOKOSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556635676 1072891767 /nfs/dbraw/zinc/89/17/67/1072891767.db2.gz TYCGYVHKBJUVDF-OAHLLOKOSA-N 1 2 442.524 -0.119 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCCn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000556639375 1072892197 /nfs/dbraw/zinc/89/21/97/1072892197.db2.gz FUAYRYIHVIBNPE-UHFFFAOYSA-N 1 2 428.497 -0.575 20 0 IBADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000556649168 1072892245 /nfs/dbraw/zinc/89/22/45/1072892245.db2.gz QOHXOTBXSOZQIT-INIZCTEOSA-N 1 2 427.527 -0.568 20 0 IBADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000556649179 1072892066 /nfs/dbraw/zinc/89/20/66/1072892066.db2.gz QOHXOTBXSOZQIT-MRXNPFEDSA-N 1 2 427.527 -0.568 20 0 IBADLO O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556982036 1072929135 /nfs/dbraw/zinc/92/91/35/1072929135.db2.gz MSDHLLIMHVKRDB-GOSISDBHSA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556982039 1072929279 /nfs/dbraw/zinc/92/92/79/1072929279.db2.gz MSDHLLIMHVKRDB-SFHVURJKSA-N 1 2 429.521 -0.017 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)ccn2)CC1 ZINC000556995466 1072932065 /nfs/dbraw/zinc/93/20/65/1072932065.db2.gz HXVGRBUGQVKTPB-DOTOQJQBSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)ccn2)CC1 ZINC000556995468 1072931960 /nfs/dbraw/zinc/93/19/60/1072931960.db2.gz HXVGRBUGQVKTPB-NVXWUHKLSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)ccn2)CC1 ZINC000556995469 1072932128 /nfs/dbraw/zinc/93/21/28/1072932128.db2.gz HXVGRBUGQVKTPB-RDJZCZTQSA-N 1 2 428.493 -0.323 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)ccn2)CC1 ZINC000556995470 1072932212 /nfs/dbraw/zinc/93/22/12/1072932212.db2.gz HXVGRBUGQVKTPB-WBVHZDCISA-N 1 2 428.493 -0.323 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000557018763 1072934414 /nfs/dbraw/zinc/93/44/14/1072934414.db2.gz FRKFIEAHYRELBE-RTBURBONSA-N 1 2 430.505 -0.249 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020177 1072933871 /nfs/dbraw/zinc/93/38/71/1072933871.db2.gz NAGWSBZTGRCNPG-GOSISDBHSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020180 1072933778 /nfs/dbraw/zinc/93/37/78/1072933778.db2.gz NAGWSBZTGRCNPG-SFHVURJKSA-N 1 2 434.537 -0.149 20 0 IBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020276 1072933735 /nfs/dbraw/zinc/93/37/35/1072933735.db2.gz PGMGRUMRVKQGKR-INIZCTEOSA-N 1 2 441.550 -0.095 20 0 IBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020277 1072933725 /nfs/dbraw/zinc/93/37/25/1072933725.db2.gz PGMGRUMRVKQGKR-MRXNPFEDSA-N 1 2 441.550 -0.095 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000557021357 1072933710 /nfs/dbraw/zinc/93/37/10/1072933710.db2.gz OZTDMZLYFPCBGN-IBGZPJMESA-N 1 2 448.520 -0.623 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000557021358 1072933823 /nfs/dbraw/zinc/93/38/23/1072933823.db2.gz OZTDMZLYFPCBGN-LJQANCHMSA-N 1 2 448.520 -0.623 20 0 IBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000557021401 1072933604 /nfs/dbraw/zinc/93/36/04/1072933604.db2.gz QRMIETGWUUYYTL-UHFFFAOYSA-N 1 2 428.493 -0.044 20 0 IBADLO COCCN1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000557021652 1072933652 /nfs/dbraw/zinc/93/36/52/1072933652.db2.gz SLRYVAOEEFDYFS-UHFFFAOYSA-N 1 2 434.537 -0.196 20 0 IBADLO CN(CCN1CCOCC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557021872 1072933837 /nfs/dbraw/zinc/93/38/37/1072933837.db2.gz KCTXDSFUQYJQHU-UHFFFAOYSA-N 1 2 434.537 -0.196 20 0 IBADLO NC(=O)c1ccc(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000557022248 1072933630 /nfs/dbraw/zinc/93/36/30/1072933630.db2.gz LWMZMVXOAXROKN-UHFFFAOYSA-N 1 2 441.488 -0.176 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)CC3)CC1 ZINC000557083201 1072939592 /nfs/dbraw/zinc/93/95/92/1072939592.db2.gz AXXCTQHOFWUDBW-AWEZNQCLSA-N 1 2 445.524 -0.720 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)CC3)CC1 ZINC000557083203 1072939581 /nfs/dbraw/zinc/93/95/81/1072939581.db2.gz AXXCTQHOFWUDBW-CQSZACIVSA-N 1 2 445.524 -0.720 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000557093550 1074683607 /nfs/dbraw/zinc/68/36/07/1074683607.db2.gz SRDFAZOMNFVTTL-DOTOQJQBSA-N 1 2 438.550 -0.012 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000557093551 1074683722 /nfs/dbraw/zinc/68/37/22/1074683722.db2.gz SRDFAZOMNFVTTL-NVXWUHKLSA-N 1 2 438.550 -0.012 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000557093552 1074683524 /nfs/dbraw/zinc/68/35/24/1074683524.db2.gz SRDFAZOMNFVTTL-RDJZCZTQSA-N 1 2 438.550 -0.012 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000557093553 1074683536 /nfs/dbraw/zinc/68/35/36/1074683536.db2.gz SRDFAZOMNFVTTL-WBVHZDCISA-N 1 2 438.550 -0.012 20 0 IBADLO O=C(NCCOC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557120692 1074684124 /nfs/dbraw/zinc/68/41/24/1074684124.db2.gz FCTQLNYEFPFPEE-KRWDZBQOSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCOC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557120692 1074684121 /nfs/dbraw/zinc/68/41/21/1074684121.db2.gz FCTQLNYEFPFPEE-KRWDZBQOSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCOC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557120703 1074684180 /nfs/dbraw/zinc/68/41/80/1074684180.db2.gz FCTQLNYEFPFPEE-QGZVFWFLSA-N 1 2 448.524 -0.726 20 0 IBADLO O=C(NCCOC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557120703 1074684177 /nfs/dbraw/zinc/68/41/77/1074684177.db2.gz FCTQLNYEFPFPEE-QGZVFWFLSA-N 1 2 448.524 -0.726 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000557152563 1074685170 /nfs/dbraw/zinc/68/51/70/1074685170.db2.gz ZXVLOIUNKXNUJO-AWEZNQCLSA-N 1 2 430.465 -0.395 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000557152569 1074685233 /nfs/dbraw/zinc/68/52/33/1074685233.db2.gz ZXVLOIUNKXNUJO-CQSZACIVSA-N 1 2 430.465 -0.395 20 0 IBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276205 1074690846 /nfs/dbraw/zinc/69/08/46/1074690846.db2.gz MQOAGZFKPCRQDN-GOSISDBHSA-N 1 2 446.552 -0.584 20 0 IBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276209 1074690925 /nfs/dbraw/zinc/69/09/25/1074690925.db2.gz MQOAGZFKPCRQDN-SFHVURJKSA-N 1 2 446.552 -0.584 20 0 IBADLO CN(C)c1nccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000557276233 1074691413 /nfs/dbraw/zinc/69/14/13/1074691413.db2.gz MUYWPJWYOOGSQN-UHFFFAOYSA-N 1 2 440.508 -0.591 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276301 1074691456 /nfs/dbraw/zinc/69/14/56/1074691456.db2.gz NRJYOYCZGJYBOU-DLBZAZTESA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276304 1074691402 /nfs/dbraw/zinc/69/14/02/1074691402.db2.gz NRJYOYCZGJYBOU-IAGOWNOFSA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276306 1074691853 /nfs/dbraw/zinc/69/18/53/1074691853.db2.gz NRJYOYCZGJYBOU-IRXDYDNUSA-N 1 2 442.520 -0.494 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000557276307 1074691887 /nfs/dbraw/zinc/69/18/87/1074691887.db2.gz NRJYOYCZGJYBOU-SJORKVTESA-N 1 2 442.520 -0.494 20 0 IBADLO CC(C)OC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000557276613 1074691447 /nfs/dbraw/zinc/69/14/47/1074691447.db2.gz OSJPKHNYELJJOK-GOSISDBHSA-N 1 2 447.536 -0.111 20 0 IBADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000557276616 1074691436 /nfs/dbraw/zinc/69/14/36/1074691436.db2.gz OSJPKHNYELJJOK-SFHVURJKSA-N 1 2 447.536 -0.111 20 0 IBADLO Cn1cc(CCCNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000557276695 1074691418 /nfs/dbraw/zinc/69/14/18/1074691418.db2.gz PTBTWYBIEGJUHX-UHFFFAOYSA-N 1 2 427.509 -0.281 20 0 IBADLO CN(CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000557277212 1074691439 /nfs/dbraw/zinc/69/14/39/1074691439.db2.gz USTKXAGTBXUUGF-UHFFFAOYSA-N 1 2 444.458 -0.153 20 0 IBADLO COC(=O)[C@]1(C)CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000557281525 1074692696 /nfs/dbraw/zinc/69/26/96/1074692696.db2.gz IKAMVJLWNZGUHI-OPAMFIHVSA-N 1 2 445.520 -0.106 20 0 IBADLO Cc1cnc(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000557282186 1074692628 /nfs/dbraw/zinc/69/26/28/1074692628.db2.gz PGFFWKIQGCUCLD-UHFFFAOYSA-N 1 2 425.493 -0.306 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCOC2(CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000557283305 1074692638 /nfs/dbraw/zinc/69/26/38/1074692638.db2.gz KNHJQBZBIFUKOP-UHFFFAOYSA-N 1 2 445.520 -0.356 20 0 IBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000557284000 1074693156 /nfs/dbraw/zinc/69/31/56/1074693156.db2.gz GSAYJFRCNBMYRI-INIZCTEOSA-N 1 2 430.509 -0.636 20 0 IBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000557284001 1074693161 /nfs/dbraw/zinc/69/31/61/1074693161.db2.gz GSAYJFRCNBMYRI-MRXNPFEDSA-N 1 2 430.509 -0.636 20 0 IBADLO CN(CCc1cnccn1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557284134 1074693163 /nfs/dbraw/zinc/69/31/63/1074693163.db2.gz QZFDPFFUFYTNFA-UHFFFAOYSA-N 1 2 425.493 -0.272 20 0 IBADLO CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557294881 1074693200 /nfs/dbraw/zinc/69/32/00/1074693200.db2.gz FOGYBLWQLHRKDK-UHFFFAOYSA-N 1 2 447.540 -0.760 20 0 IBADLO CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557294881 1074693198 /nfs/dbraw/zinc/69/31/98/1074693198.db2.gz FOGYBLWQLHRKDK-UHFFFAOYSA-N 1 2 447.540 -0.760 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000557332204 1074694545 /nfs/dbraw/zinc/69/45/45/1074694545.db2.gz SZKCOCUAFZMYJP-GASCZTMLSA-N 1 2 426.539 -0.222 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000557332204 1074694543 /nfs/dbraw/zinc/69/45/43/1074694543.db2.gz SZKCOCUAFZMYJP-GASCZTMLSA-N 1 2 426.539 -0.222 20 0 IBADLO CN(Cc1cnccn1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557338030 1074694913 /nfs/dbraw/zinc/69/49/13/1074694913.db2.gz MLEWUCIWQNZMQO-UHFFFAOYSA-N 1 2 447.521 -0.902 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000557338057 1074694945 /nfs/dbraw/zinc/69/49/45/1074694945.db2.gz OSIOHNJTVLMVNU-UHFFFAOYSA-N 1 2 447.602 -0.823 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000557338057 1074694941 /nfs/dbraw/zinc/69/49/41/1074694941.db2.gz OSIOHNJTVLMVNU-UHFFFAOYSA-N 1 2 447.602 -0.823 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 ZINC000557339889 1074694964 /nfs/dbraw/zinc/69/49/64/1074694964.db2.gz AADJJBODGCXTLB-UHFFFAOYSA-N 1 2 431.537 -0.238 20 0 IBADLO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)S(C)(=O)=O ZINC000557349003 1074695518 /nfs/dbraw/zinc/69/55/18/1074695518.db2.gz DMDRFZOUMAZXBG-DLBZAZTESA-N 1 2 430.571 -0.703 20 0 IBADLO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)S(C)(=O)=O ZINC000557349004 1074695577 /nfs/dbraw/zinc/69/55/77/1074695577.db2.gz DMDRFZOUMAZXBG-IAGOWNOFSA-N 1 2 430.571 -0.703 20 0 IBADLO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)S(C)(=O)=O ZINC000557349005 1074695497 /nfs/dbraw/zinc/69/54/97/1074695497.db2.gz DMDRFZOUMAZXBG-IRXDYDNUSA-N 1 2 430.571 -0.703 20 0 IBADLO CN(C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)S(C)(=O)=O ZINC000557349006 1074695568 /nfs/dbraw/zinc/69/55/68/1074695568.db2.gz DMDRFZOUMAZXBG-SJORKVTESA-N 1 2 430.571 -0.703 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000557351335 1074696010 /nfs/dbraw/zinc/69/60/10/1074696010.db2.gz YEQQCWVUHTUIOR-INIZCTEOSA-N 1 2 440.508 -0.239 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000557351336 1074695943 /nfs/dbraw/zinc/69/59/43/1074695943.db2.gz YEQQCWVUHTUIOR-MRXNPFEDSA-N 1 2 440.508 -0.239 20 0 IBADLO O=C(CCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)N1CCN(c2ncccn2)CC1 ZINC000557354678 1074697044 /nfs/dbraw/zinc/69/70/44/1074697044.db2.gz OLSUOEWTFWPCQC-UHFFFAOYSA-N 1 2 436.476 -0.404 20 0 IBADLO CC(C)(C)n1ncnc1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557407571 1074697876 /nfs/dbraw/zinc/69/78/76/1074697876.db2.gz IAZBEISKGDEOHM-UHFFFAOYSA-N 1 2 442.524 -0.101 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000557442522 1074701130 /nfs/dbraw/zinc/70/11/30/1074701130.db2.gz REMMNAHFQNZVNC-GOSISDBHSA-N 1 2 444.536 -0.878 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000557442532 1074700991 /nfs/dbraw/zinc/70/09/91/1074700991.db2.gz REMMNAHFQNZVNC-SFHVURJKSA-N 1 2 444.536 -0.878 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)cn1 ZINC000557492207 1074702120 /nfs/dbraw/zinc/70/21/20/1074702120.db2.gz PFEGPCNCNAIJNA-DLBZAZTESA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cn1 ZINC000557492207 1074702111 /nfs/dbraw/zinc/70/21/11/1074702111.db2.gz PFEGPCNCNAIJNA-DLBZAZTESA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)cn1 ZINC000557492211 1074702200 /nfs/dbraw/zinc/70/22/00/1074702200.db2.gz PFEGPCNCNAIJNA-IAGOWNOFSA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cn1 ZINC000557492211 1074702193 /nfs/dbraw/zinc/70/21/93/1074702193.db2.gz PFEGPCNCNAIJNA-IAGOWNOFSA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)cn1 ZINC000557492215 1074702280 /nfs/dbraw/zinc/70/22/80/1074702280.db2.gz PFEGPCNCNAIJNA-IRXDYDNUSA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cn1 ZINC000557492215 1074702272 /nfs/dbraw/zinc/70/22/72/1074702272.db2.gz PFEGPCNCNAIJNA-IRXDYDNUSA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)cn1 ZINC000557492217 1074702255 /nfs/dbraw/zinc/70/22/55/1074702255.db2.gz PFEGPCNCNAIJNA-SJORKVTESA-N 1 2 441.554 -0.572 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cn1 ZINC000557492217 1074702245 /nfs/dbraw/zinc/70/22/45/1074702245.db2.gz PFEGPCNCNAIJNA-SJORKVTESA-N 1 2 441.554 -0.572 20 0 IBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000557515075 1074702953 /nfs/dbraw/zinc/70/29/53/1074702953.db2.gz RDEUARQYDWPHQB-DOTOQJQBSA-N 1 2 426.525 -0.261 20 0 IBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000557515087 1074702880 /nfs/dbraw/zinc/70/28/80/1074702880.db2.gz RDEUARQYDWPHQB-NVXWUHKLSA-N 1 2 426.525 -0.261 20 0 IBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000557515091 1074702747 /nfs/dbraw/zinc/70/27/47/1074702747.db2.gz RDEUARQYDWPHQB-RDJZCZTQSA-N 1 2 426.525 -0.261 20 0 IBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000557515095 1074702861 /nfs/dbraw/zinc/70/28/61/1074702861.db2.gz RDEUARQYDWPHQB-WBVHZDCISA-N 1 2 426.525 -0.261 20 0 IBADLO COc1cc(OC)cc(C(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c1 ZINC000557519258 1074702781 /nfs/dbraw/zinc/70/27/81/1074702781.db2.gz HIYAYEPFCNFGPB-UHFFFAOYSA-N 1 2 445.524 -0.081 20 0 IBADLO CC(C)Nc1nc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000557538362 1074703643 /nfs/dbraw/zinc/70/36/43/1074703643.db2.gz OTQAXFVWBKUMID-UHFFFAOYSA-N 1 2 435.554 -0.159 20 0 IBADLO Cc1csc([C@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000557593158 1074704911 /nfs/dbraw/zinc/70/49/11/1074704911.db2.gz NEPIAJHURIRALF-AWEZNQCLSA-N 1 2 444.583 -0.735 20 0 IBADLO Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000557593159 1074704946 /nfs/dbraw/zinc/70/49/46/1074704946.db2.gz NEPIAJHURIRALF-CQSZACIVSA-N 1 2 444.583 -0.735 20 0 IBADLO CC(C)(C)Nc1nc(N2CCN3C(=O)NC[C@@H]3C2)[nH+]c(N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000557604611 1074704800 /nfs/dbraw/zinc/70/48/00/1074704800.db2.gz FLAFQMLTIPFSKW-CHWSQXEVSA-N 1 2 430.517 -0.490 20 0 IBADLO CC(C)(C)Nc1nc(N2CCN3C(=O)NC[C@@H]3C2)nc(N2CCN3C(=O)NC[C@@H]3C2)[nH+]1 ZINC000557604611 1074704794 /nfs/dbraw/zinc/70/47/94/1074704794.db2.gz FLAFQMLTIPFSKW-CHWSQXEVSA-N 1 2 430.517 -0.490 20 0 IBADLO CC(C)(C)Nc1nc(N2CCN3C(=O)NC[C@H]3C2)[nH+]c(N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000557604613 1074704999 /nfs/dbraw/zinc/70/49/99/1074704999.db2.gz FLAFQMLTIPFSKW-STQMWFEESA-N 1 2 430.517 -0.490 20 0 IBADLO CC(C)(C)Nc1nc(N2CCN3C(=O)NC[C@H]3C2)nc(N2CCN3C(=O)NC[C@H]3C2)[nH+]1 ZINC000557604613 1074704991 /nfs/dbraw/zinc/70/49/91/1074704991.db2.gz FLAFQMLTIPFSKW-STQMWFEESA-N 1 2 430.517 -0.490 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 ZINC000557636069 1074705422 /nfs/dbraw/zinc/70/54/22/1074705422.db2.gz GLNYAHPZUZQNQL-UHFFFAOYSA-N 1 2 446.552 -0.420 20 0 IBADLO CC(C)Nc1nc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nc(NCCO)[nH+]1 ZINC000557644022 1074705915 /nfs/dbraw/zinc/70/59/15/1074705915.db2.gz OWZZJWXFFNALOU-AWEZNQCLSA-N 1 2 441.492 -0.559 20 0 IBADLO CC(C)Nc1nc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc(NCCO)[nH+]1 ZINC000557644023 1074706069 /nfs/dbraw/zinc/70/60/69/1074706069.db2.gz OWZZJWXFFNALOU-CQSZACIVSA-N 1 2 441.492 -0.559 20 0 IBADLO O=C(NCCCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000557654161 1074706508 /nfs/dbraw/zinc/70/65/08/1074706508.db2.gz VZLGFLBKMMXPIX-INIZCTEOSA-N 1 2 428.489 -0.030 20 0 IBADLO O=C(NCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000557654163 1074706479 /nfs/dbraw/zinc/70/64/79/1074706479.db2.gz VZLGFLBKMMXPIX-MRXNPFEDSA-N 1 2 428.489 -0.030 20 0 IBADLO CC(C)Nc1nc(N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)nc(NCCO)[nH+]1 ZINC000557673539 1074706791 /nfs/dbraw/zinc/70/67/91/1074706791.db2.gz NCPQVUZVVAXVCN-UHFFFAOYSA-N 1 2 435.554 -0.247 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000557684397 1074706753 /nfs/dbraw/zinc/70/67/53/1074706753.db2.gz GRNBRYWTPZIKAZ-UHFFFAOYSA-N 1 2 444.606 -0.571 20 0 IBADLO CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000557701252 1074707996 /nfs/dbraw/zinc/70/79/96/1074707996.db2.gz LYRHOKHKZFYHPG-MSOLQXFVSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000557701258 1074708211 /nfs/dbraw/zinc/70/82/11/1074708211.db2.gz LYRHOKHKZFYHPG-QZTJIDSGSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000557701261 1074707977 /nfs/dbraw/zinc/70/79/77/1074707977.db2.gz LYRHOKHKZFYHPG-ROUUACIJSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000557701263 1074708025 /nfs/dbraw/zinc/70/80/25/1074708025.db2.gz LYRHOKHKZFYHPG-ZWKOTPCHSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557704581 1074708532 /nfs/dbraw/zinc/70/85/32/1074708532.db2.gz XTWKSFDYTIDERS-MSOLQXFVSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557704583 1074708570 /nfs/dbraw/zinc/70/85/70/1074708570.db2.gz XTWKSFDYTIDERS-QZTJIDSGSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557704585 1074708551 /nfs/dbraw/zinc/70/85/51/1074708551.db2.gz XTWKSFDYTIDERS-ROUUACIJSA-N 1 2 443.614 -0.046 20 0 IBADLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557704588 1074708515 /nfs/dbraw/zinc/70/85/15/1074708515.db2.gz XTWKSFDYTIDERS-ZWKOTPCHSA-N 1 2 443.614 -0.046 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000557706801 1074708819 /nfs/dbraw/zinc/70/88/19/1074708819.db2.gz PWIMVPZPNPQFGV-MSOLQXFVSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000557706801 1074708808 /nfs/dbraw/zinc/70/88/08/1074708808.db2.gz PWIMVPZPNPQFGV-MSOLQXFVSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000557706802 1074708985 /nfs/dbraw/zinc/70/89/85/1074708985.db2.gz PWIMVPZPNPQFGV-QZTJIDSGSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000557706802 1074708977 /nfs/dbraw/zinc/70/89/77/1074708977.db2.gz PWIMVPZPNPQFGV-QZTJIDSGSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000557706803 1074708760 /nfs/dbraw/zinc/70/87/60/1074708760.db2.gz PWIMVPZPNPQFGV-ROUUACIJSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000557706803 1074708749 /nfs/dbraw/zinc/70/87/49/1074708749.db2.gz PWIMVPZPNPQFGV-ROUUACIJSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000557706804 1074708851 /nfs/dbraw/zinc/70/88/51/1074708851.db2.gz PWIMVPZPNPQFGV-ZWKOTPCHSA-N 1 2 425.574 -0.386 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000557706804 1074708839 /nfs/dbraw/zinc/70/88/39/1074708839.db2.gz PWIMVPZPNPQFGV-ZWKOTPCHSA-N 1 2 425.574 -0.386 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000557732074 1074709588 /nfs/dbraw/zinc/70/95/88/1074709588.db2.gz LQTPBXOVFMLGHP-UHFFFAOYSA-N 1 2 437.547 -0.017 20 0 IBADLO CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557767446 1074710651 /nfs/dbraw/zinc/71/06/51/1074710651.db2.gz NQYFRSUAUCNOPV-UHFFFAOYSA-N 1 2 448.524 -0.190 20 0 IBADLO CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557767446 1074710640 /nfs/dbraw/zinc/71/06/40/1074710640.db2.gz NQYFRSUAUCNOPV-UHFFFAOYSA-N 1 2 448.524 -0.190 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557773001 1074710856 /nfs/dbraw/zinc/71/08/56/1074710856.db2.gz WRRSISJZLXXCMS-UHFFFAOYSA-N 1 2 427.552 -0.775 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000557773195 1074711039 /nfs/dbraw/zinc/71/10/39/1074711039.db2.gz DDPVVYUPFIVZNI-UHFFFAOYSA-N 1 2 436.600 -0.950 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000557773195 1074711027 /nfs/dbraw/zinc/71/10/27/1074711027.db2.gz DDPVVYUPFIVZNI-UHFFFAOYSA-N 1 2 436.600 -0.950 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000557774840 1074711352 /nfs/dbraw/zinc/71/13/52/1074711352.db2.gz WWZVGZFNNXDJEK-KRWDZBQOSA-N 1 2 440.591 -0.004 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000557774840 1074711344 /nfs/dbraw/zinc/71/13/44/1074711344.db2.gz WWZVGZFNNXDJEK-KRWDZBQOSA-N 1 2 440.591 -0.004 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000557774842 1074711474 /nfs/dbraw/zinc/71/14/74/1074711474.db2.gz WWZVGZFNNXDJEK-QGZVFWFLSA-N 1 2 440.591 -0.004 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000557774842 1074711465 /nfs/dbraw/zinc/71/14/65/1074711465.db2.gz WWZVGZFNNXDJEK-QGZVFWFLSA-N 1 2 440.591 -0.004 20 0 IBADLO Cc1nn(C)cc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557798364 1074712182 /nfs/dbraw/zinc/71/21/82/1074712182.db2.gz LUKILMGUUSCSMU-UHFFFAOYSA-N 1 2 428.540 -0.446 20 0 IBADLO CN(C[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1)S(C)(=O)=O ZINC000557804023 1074712150 /nfs/dbraw/zinc/71/21/50/1074712150.db2.gz RWWRWTUPDBVGMQ-KRWDZBQOSA-N 1 2 439.586 -0.088 20 0 IBADLO CN(C[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1)S(C)(=O)=O ZINC000557804030 1074712113 /nfs/dbraw/zinc/71/21/13/1074712113.db2.gz RWWRWTUPDBVGMQ-QGZVFWFLSA-N 1 2 439.586 -0.088 20 0 IBADLO Cn1nccc1[C@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000557804424 1070955192 /nfs/dbraw/zinc/95/51/92/1070955192.db2.gz OGYWGZURGGCLRD-CRAIPNDOSA-N 1 2 427.513 -0.397 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000557965188 1074716079 /nfs/dbraw/zinc/71/60/79/1074716079.db2.gz UNBJWUMYVIZGMD-PMACEKPBSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000557965191 1074716131 /nfs/dbraw/zinc/71/61/31/1074716131.db2.gz UNBJWUMYVIZGMD-UXHICEINSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000557965192 1074715971 /nfs/dbraw/zinc/71/59/71/1074715971.db2.gz UNBJWUMYVIZGMD-VQTJNVASSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000557965193 1074715952 /nfs/dbraw/zinc/71/59/52/1074715952.db2.gz UNBJWUMYVIZGMD-WOJBJXKFSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000557980410 1074716471 /nfs/dbraw/zinc/71/64/71/1074716471.db2.gz NXQDCVPWNDUMQU-KRWDZBQOSA-N 1 2 438.550 -0.266 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000557980412 1074716399 /nfs/dbraw/zinc/71/63/99/1074716399.db2.gz NXQDCVPWNDUMQU-QGZVFWFLSA-N 1 2 438.550 -0.266 20 0 IBADLO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000558041269 1074717943 /nfs/dbraw/zinc/71/79/43/1074717943.db2.gz HISSDSCFLNAAQE-HKUYNNGSSA-N 1 2 434.537 -0.068 20 0 IBADLO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000558041270 1074718274 /nfs/dbraw/zinc/71/82/74/1074718274.db2.gz HISSDSCFLNAAQE-IEBWSBKVSA-N 1 2 434.537 -0.068 20 0 IBADLO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000558041271 1074718167 /nfs/dbraw/zinc/71/81/67/1074718167.db2.gz HISSDSCFLNAAQE-MJGOQNOKSA-N 1 2 434.537 -0.068 20 0 IBADLO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)c1 ZINC000558041273 1074718104 /nfs/dbraw/zinc/71/81/04/1074718104.db2.gz HISSDSCFLNAAQE-PKOBYXMFSA-N 1 2 434.537 -0.068 20 0 IBADLO COc1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O ZINC000558057041 1074718981 /nfs/dbraw/zinc/71/89/81/1074718981.db2.gz QNDJFPAGGZYHNQ-UHFFFAOYSA-N 1 2 449.537 -0.246 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000558059229 1074719052 /nfs/dbraw/zinc/71/90/52/1074719052.db2.gz HXKSQHJEOGPETM-KRWDZBQOSA-N 1 2 436.509 -0.593 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000558059230 1074719143 /nfs/dbraw/zinc/71/91/43/1074719143.db2.gz HXKSQHJEOGPETM-QGZVFWFLSA-N 1 2 436.509 -0.593 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000558082474 1074719933 /nfs/dbraw/zinc/71/99/33/1074719933.db2.gz ZYXRBHUEUKMGFP-IBGZPJMESA-N 1 2 430.553 -0.405 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000558082477 1074720108 /nfs/dbraw/zinc/72/01/08/1074720108.db2.gz ZYXRBHUEUKMGFP-LJQANCHMSA-N 1 2 430.553 -0.405 20 0 IBADLO Cc1c(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cnn1C ZINC000558084772 1074720077 /nfs/dbraw/zinc/72/00/77/1074720077.db2.gz KPWMGGAUXAONGJ-UHFFFAOYSA-N 1 2 428.497 -0.680 20 0 IBADLO Cc1c(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cnn1C ZINC000558084772 1074720066 /nfs/dbraw/zinc/72/00/66/1074720066.db2.gz KPWMGGAUXAONGJ-UHFFFAOYSA-N 1 2 428.497 -0.680 20 0 IBADLO Cn1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000558096732 1074720398 /nfs/dbraw/zinc/72/03/98/1074720398.db2.gz JPOZCACDYSCLDS-INIZCTEOSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000558096732 1074720386 /nfs/dbraw/zinc/72/03/86/1074720386.db2.gz JPOZCACDYSCLDS-INIZCTEOSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000558096736 1074720571 /nfs/dbraw/zinc/72/05/71/1074720571.db2.gz JPOZCACDYSCLDS-MRXNPFEDSA-N 1 2 428.497 -0.552 20 0 IBADLO Cn1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000558096736 1074720564 /nfs/dbraw/zinc/72/05/64/1074720564.db2.gz JPOZCACDYSCLDS-MRXNPFEDSA-N 1 2 428.497 -0.552 20 0 IBADLO CCS(=O)(=O)N1CCN(CC(O)C[N@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)[C@H](C)C1 ZINC000558129924 1074721621 /nfs/dbraw/zinc/72/16/21/1074721621.db2.gz KNCGFLKZPYMXRR-HZPDHXFCSA-N 1 2 440.632 -0.941 20 0 IBADLO CCS(=O)(=O)N1CCN(CC(O)C[N@@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)[C@H](C)C1 ZINC000558129924 1074721612 /nfs/dbraw/zinc/72/16/12/1074721612.db2.gz KNCGFLKZPYMXRR-HZPDHXFCSA-N 1 2 440.632 -0.941 20 0 IBADLO C[C@@H]1CCCC[C@H]1CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558196324 1074723447 /nfs/dbraw/zinc/72/34/47/1074723447.db2.gz COFVGFQCRPCXKX-MSOLQXFVSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@@H]1CCCC[C@@H]1CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558196325 1074723393 /nfs/dbraw/zinc/72/33/93/1074723393.db2.gz COFVGFQCRPCXKX-QZTJIDSGSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@H]1CCCC[C@H]1CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558196326 1074723258 /nfs/dbraw/zinc/72/32/58/1074723258.db2.gz COFVGFQCRPCXKX-ROUUACIJSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@H]1CCCC[C@@H]1CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558196327 1074723284 /nfs/dbraw/zinc/72/32/84/1074723284.db2.gz COFVGFQCRPCXKX-ZWKOTPCHSA-N 1 2 443.614 -0.045 20 0 IBADLO C[C@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOC1 ZINC000558207397 1074723855 /nfs/dbraw/zinc/72/38/55/1074723855.db2.gz FAJADCPIXVSYIB-HRAATJIYSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOC1 ZINC000558207397 1074723847 /nfs/dbraw/zinc/72/38/47/1074723847.db2.gz FAJADCPIXVSYIB-HRAATJIYSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOC1 ZINC000558207398 1074723758 /nfs/dbraw/zinc/72/37/58/1074723758.db2.gz FAJADCPIXVSYIB-IERDGZPVSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOC1 ZINC000558207398 1074723751 /nfs/dbraw/zinc/72/37/51/1074723751.db2.gz FAJADCPIXVSYIB-IERDGZPVSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOC1 ZINC000558207399 1074723814 /nfs/dbraw/zinc/72/38/14/1074723814.db2.gz FAJADCPIXVSYIB-IIBYNOLFSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOC1 ZINC000558207399 1074723806 /nfs/dbraw/zinc/72/38/06/1074723806.db2.gz FAJADCPIXVSYIB-IIBYNOLFSA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOC1 ZINC000558207400 1074723787 /nfs/dbraw/zinc/72/37/87/1074723787.db2.gz FAJADCPIXVSYIB-KKSFZXQISA-N 1 2 432.525 -0.059 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOC1 ZINC000558207400 1074723778 /nfs/dbraw/zinc/72/37/78/1074723778.db2.gz FAJADCPIXVSYIB-KKSFZXQISA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000558229534 1074725264 /nfs/dbraw/zinc/72/52/64/1074725264.db2.gz DWGXAFZSOBODBL-KSZLIROESA-N 1 2 442.582 -0.228 20 0 IBADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000558229538 1074725286 /nfs/dbraw/zinc/72/52/86/1074725286.db2.gz DWGXAFZSOBODBL-KURKYZTESA-N 1 2 442.582 -0.228 20 0 IBADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000558229540 1074725225 /nfs/dbraw/zinc/72/52/25/1074725225.db2.gz DWGXAFZSOBODBL-KZNAEPCWSA-N 1 2 442.582 -0.228 20 0 IBADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000558229541 1074725505 /nfs/dbraw/zinc/72/55/05/1074725505.db2.gz DWGXAFZSOBODBL-RCCFBDPRSA-N 1 2 442.582 -0.228 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558231836 1074725361 /nfs/dbraw/zinc/72/53/61/1074725361.db2.gz OKYZZDVIBPOZIW-MSOLQXFVSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558231840 1074725464 /nfs/dbraw/zinc/72/54/64/1074725464.db2.gz OKYZZDVIBPOZIW-QZTJIDSGSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558231843 1074725380 /nfs/dbraw/zinc/72/53/80/1074725380.db2.gz OKYZZDVIBPOZIW-ROUUACIJSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558231846 1074725488 /nfs/dbraw/zinc/72/54/88/1074725488.db2.gz OKYZZDVIBPOZIW-ZWKOTPCHSA-N 1 2 444.536 -0.411 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558237854 1074725820 /nfs/dbraw/zinc/72/58/20/1074725820.db2.gz ZKSQDYIZFLMUKP-FHWLQOOXSA-N 1 2 437.585 -0.195 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558237858 1074725779 /nfs/dbraw/zinc/72/57/79/1074725779.db2.gz ZKSQDYIZFLMUKP-GBESFXJTSA-N 1 2 437.585 -0.195 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558237860 1074725801 /nfs/dbraw/zinc/72/58/01/1074725801.db2.gz ZKSQDYIZFLMUKP-IPMKNSEASA-N 1 2 437.585 -0.195 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558237863 1074725757 /nfs/dbraw/zinc/72/57/57/1074725757.db2.gz ZKSQDYIZFLMUKP-OTWHNJEPSA-N 1 2 437.585 -0.195 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000558253384 1074726147 /nfs/dbraw/zinc/72/61/47/1074726147.db2.gz PKCCURURNBDJPW-UHFFFAOYSA-N 1 2 440.566 -0.229 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000558276934 1074726570 /nfs/dbraw/zinc/72/65/70/1074726570.db2.gz DWTFLDARLUQIOX-GFIVTLFCSA-N 1 2 434.541 -0.094 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000558276934 1074726561 /nfs/dbraw/zinc/72/65/61/1074726561.db2.gz DWTFLDARLUQIOX-GFIVTLFCSA-N 1 2 434.541 -0.094 20 0 IBADLO CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000558281245 1074726429 /nfs/dbraw/zinc/72/64/29/1074726429.db2.gz PZEJZZCFFMPVSO-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000558281245 1074726419 /nfs/dbraw/zinc/72/64/19/1074726419.db2.gz PZEJZZCFFMPVSO-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000558281246 1074726491 /nfs/dbraw/zinc/72/64/91/1074726491.db2.gz PZEJZZCFFMPVSO-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000558281246 1074726481 /nfs/dbraw/zinc/72/64/81/1074726481.db2.gz PZEJZZCFFMPVSO-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000558281247 1074726625 /nfs/dbraw/zinc/72/66/25/1074726625.db2.gz PZEJZZCFFMPVSO-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000558281247 1074726616 /nfs/dbraw/zinc/72/66/16/1074726616.db2.gz PZEJZZCFFMPVSO-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000558281248 1074726518 /nfs/dbraw/zinc/72/65/18/1074726518.db2.gz PZEJZZCFFMPVSO-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO CN1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000558281248 1074726508 /nfs/dbraw/zinc/72/65/08/1074726508.db2.gz PZEJZZCFFMPVSO-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000558308257 1074727671 /nfs/dbraw/zinc/72/76/71/1074727671.db2.gz UXOICMKYUCQVNP-UHFFFAOYSA-N 1 2 440.504 -0.509 20 0 IBADLO CN(CCn1cccn1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000558335993 1074729027 /nfs/dbraw/zinc/72/90/27/1074729027.db2.gz SZOQAMHYXDBSPI-KRWDZBQOSA-N 1 2 442.524 -0.247 20 0 IBADLO CN(CCn1cccn1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000558335993 1074729016 /nfs/dbraw/zinc/72/90/16/1074729016.db2.gz SZOQAMHYXDBSPI-KRWDZBQOSA-N 1 2 442.524 -0.247 20 0 IBADLO CN(CCn1cccn1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000558335994 1074728957 /nfs/dbraw/zinc/72/89/57/1074728957.db2.gz SZOQAMHYXDBSPI-QGZVFWFLSA-N 1 2 442.524 -0.247 20 0 IBADLO CN(CCn1cccn1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000558335994 1074728950 /nfs/dbraw/zinc/72/89/50/1074728950.db2.gz SZOQAMHYXDBSPI-QGZVFWFLSA-N 1 2 442.524 -0.247 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000558336210 1074729091 /nfs/dbraw/zinc/72/90/91/1074729091.db2.gz XSGVPKMFEUXLMC-KRWDZBQOSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000558336210 1074729081 /nfs/dbraw/zinc/72/90/81/1074729081.db2.gz XSGVPKMFEUXLMC-KRWDZBQOSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000558336211 1074729178 /nfs/dbraw/zinc/72/91/78/1074729178.db2.gz XSGVPKMFEUXLMC-QGZVFWFLSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000558336211 1074729171 /nfs/dbraw/zinc/72/91/71/1074729171.db2.gz XSGVPKMFEUXLMC-QGZVFWFLSA-N 1 2 442.524 -0.509 20 0 IBADLO COC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000558336267 1074728832 /nfs/dbraw/zinc/72/88/32/1074728832.db2.gz ZJFXTELBNCFCRA-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000558336267 1074728828 /nfs/dbraw/zinc/72/88/28/1074728828.db2.gz ZJFXTELBNCFCRA-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000558336268 1074728917 /nfs/dbraw/zinc/72/89/17/1074728917.db2.gz ZJFXTELBNCFCRA-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000558336268 1074728909 /nfs/dbraw/zinc/72/89/09/1074728909.db2.gz ZJFXTELBNCFCRA-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000558336269 1074728892 /nfs/dbraw/zinc/72/88/92/1074728892.db2.gz ZJFXTELBNCFCRA-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000558336269 1074728883 /nfs/dbraw/zinc/72/88/83/1074728883.db2.gz ZJFXTELBNCFCRA-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000558336270 1074729199 /nfs/dbraw/zinc/72/91/99/1074729199.db2.gz ZJFXTELBNCFCRA-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO COC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000558336270 1074729194 /nfs/dbraw/zinc/72/91/94/1074729194.db2.gz ZJFXTELBNCFCRA-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000558337034 1074728812 /nfs/dbraw/zinc/72/88/12/1074728812.db2.gz GFGZSCDMMYWKKE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000558337034 1074728805 /nfs/dbraw/zinc/72/88/05/1074728805.db2.gz GFGZSCDMMYWKKE-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000558337035 1074729156 /nfs/dbraw/zinc/72/91/56/1074729156.db2.gz GFGZSCDMMYWKKE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000558337035 1074729148 /nfs/dbraw/zinc/72/91/48/1074729148.db2.gz GFGZSCDMMYWKKE-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(CCO)CC(F)F ZINC000558337306 1074729064 /nfs/dbraw/zinc/72/90/64/1074729064.db2.gz LFIHDZUIROCRBC-AWEZNQCLSA-N 1 2 442.467 -0.516 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(CCO)CC(F)F ZINC000558337306 1074729054 /nfs/dbraw/zinc/72/90/54/1074729054.db2.gz LFIHDZUIROCRBC-AWEZNQCLSA-N 1 2 442.467 -0.516 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(CCO)CC(F)F ZINC000558337307 1074728979 /nfs/dbraw/zinc/72/89/79/1074728979.db2.gz LFIHDZUIROCRBC-CQSZACIVSA-N 1 2 442.467 -0.516 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(CCO)CC(F)F ZINC000558337307 1074728975 /nfs/dbraw/zinc/72/89/75/1074728975.db2.gz LFIHDZUIROCRBC-CQSZACIVSA-N 1 2 442.467 -0.516 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H]1CO ZINC000558338989 1074729378 /nfs/dbraw/zinc/72/93/78/1074729378.db2.gz IXKDAAKAWRMJNI-BRWVUGGUSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@@H]1CO ZINC000558338989 1074729371 /nfs/dbraw/zinc/72/93/71/1074729371.db2.gz IXKDAAKAWRMJNI-BRWVUGGUSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@H]1CO ZINC000558339002 1074729433 /nfs/dbraw/zinc/72/94/33/1074729433.db2.gz IXKDAAKAWRMJNI-IKGGRYGDSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@H]1CO ZINC000558339002 1074729424 /nfs/dbraw/zinc/72/94/24/1074729424.db2.gz IXKDAAKAWRMJNI-IKGGRYGDSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H]1CO ZINC000558339004 1074729641 /nfs/dbraw/zinc/72/96/41/1074729641.db2.gz IXKDAAKAWRMJNI-IXDOHACOSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@@H]1CO ZINC000558339004 1074729632 /nfs/dbraw/zinc/72/96/32/1074729632.db2.gz IXKDAAKAWRMJNI-IXDOHACOSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@H]1CO ZINC000558339006 1074729345 /nfs/dbraw/zinc/72/93/45/1074729345.db2.gz IXKDAAKAWRMJNI-ZACQAIPSSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@H]1CO ZINC000558339006 1074729335 /nfs/dbraw/zinc/72/93/35/1074729335.db2.gz IXKDAAKAWRMJNI-ZACQAIPSSA-N 1 2 432.525 -0.373 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000558361216 1074729998 /nfs/dbraw/zinc/72/99/98/1074729998.db2.gz BWFJDJODUQHUAH-CABCVRRESA-N 1 2 427.527 -0.787 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000558361229 1074730059 /nfs/dbraw/zinc/73/00/59/1074730059.db2.gz BWFJDJODUQHUAH-GJZGRUSLSA-N 1 2 427.527 -0.787 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000558361234 1074729899 /nfs/dbraw/zinc/72/98/99/1074729899.db2.gz BWFJDJODUQHUAH-HUUCEWRRSA-N 1 2 427.527 -0.787 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000558361238 1074730022 /nfs/dbraw/zinc/73/00/22/1074730022.db2.gz BWFJDJODUQHUAH-LSDHHAIUSA-N 1 2 427.527 -0.787 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000558403826 1074730359 /nfs/dbraw/zinc/73/03/59/1074730359.db2.gz LQIGSENUIJAXTL-KRWDZBQOSA-N 1 2 430.571 -0.655 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000558403827 1074730339 /nfs/dbraw/zinc/73/03/39/1074730339.db2.gz LQIGSENUIJAXTL-QGZVFWFLSA-N 1 2 430.571 -0.655 20 0 IBADLO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000558419475 1072161760 /nfs/dbraw/zinc/16/17/60/1072161760.db2.gz YJRWMXORHIYCQM-HNNXBMFYSA-N 1 2 426.539 -0.021 20 0 IBADLO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000558419486 1072161846 /nfs/dbraw/zinc/16/18/46/1072161846.db2.gz YJRWMXORHIYCQM-OAHLLOKOSA-N 1 2 426.539 -0.021 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000558437889 1072162380 /nfs/dbraw/zinc/16/23/80/1072162380.db2.gz CXDKXGAVGDITMD-MYZZLAAOSA-N 1 2 432.525 -0.575 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000558437890 1072162348 /nfs/dbraw/zinc/16/23/48/1072162348.db2.gz CXDKXGAVGDITMD-NWGLXNPWSA-N 1 2 432.525 -0.575 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000558437891 1072162462 /nfs/dbraw/zinc/16/24/62/1072162462.db2.gz CXDKXGAVGDITMD-RUENVJTFSA-N 1 2 432.525 -0.575 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000558437892 1072162331 /nfs/dbraw/zinc/16/23/31/1072162331.db2.gz CXDKXGAVGDITMD-WFEDQXDTSA-N 1 2 432.525 -0.575 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000558449364 1072162487 /nfs/dbraw/zinc/16/24/87/1072162487.db2.gz YOQBZSYWVNCNRA-UHFFFAOYSA-N 1 2 426.485 -0.325 20 0 IBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000558496145 1072163604 /nfs/dbraw/zinc/16/36/04/1072163604.db2.gz ITSCVULEPPMRLZ-UHFFFAOYSA-N 1 2 429.547 -0.439 20 0 IBADLO O=C(C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000558544672 1072164772 /nfs/dbraw/zinc/16/47/72/1072164772.db2.gz NBCZCDLAVQZOTN-GOSISDBHSA-N 1 2 425.445 -0.122 20 0 IBADLO O=C(C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000558544673 1072164861 /nfs/dbraw/zinc/16/48/61/1072164861.db2.gz NBCZCDLAVQZOTN-SFHVURJKSA-N 1 2 425.445 -0.122 20 0 IBADLO CN(C)c1ncncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000558551068 1072164849 /nfs/dbraw/zinc/16/48/49/1072164849.db2.gz LGBRDDSPRVBQFB-UHFFFAOYSA-N 1 2 441.496 -0.544 20 0 IBADLO CN(C)c1ncncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000558551068 1072164842 /nfs/dbraw/zinc/16/48/42/1072164842.db2.gz LGBRDDSPRVBQFB-UHFFFAOYSA-N 1 2 441.496 -0.544 20 0 IBADLO CC(C)N(C)c1cnn([C@@H]2CCC[N@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588664 1072165766 /nfs/dbraw/zinc/16/57/66/1072165766.db2.gz HPSJQFHVJUPRJZ-AEFFLSMTSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588664 1072165764 /nfs/dbraw/zinc/16/57/64/1072165764.db2.gz HPSJQFHVJUPRJZ-AEFFLSMTSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@H]2CCC[N@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588666 1072165654 /nfs/dbraw/zinc/16/56/54/1072165654.db2.gz HPSJQFHVJUPRJZ-FUHWJXTLSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@H]2CCC[N@@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588666 1072165648 /nfs/dbraw/zinc/16/56/48/1072165648.db2.gz HPSJQFHVJUPRJZ-FUHWJXTLSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@@H]2CCC[N@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588667 1072165463 /nfs/dbraw/zinc/16/54/63/1072165463.db2.gz HPSJQFHVJUPRJZ-SJLPKXTDSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588667 1072165458 /nfs/dbraw/zinc/16/54/58/1072165458.db2.gz HPSJQFHVJUPRJZ-SJLPKXTDSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@H]2CCC[N@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588668 1072165591 /nfs/dbraw/zinc/16/55/91/1072165591.db2.gz HPSJQFHVJUPRJZ-WMZOPIPTSA-N 1 2 435.525 -0.139 20 0 IBADLO CC(C)N(C)c1cnn([C@H]2CCC[N@@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C2)c(=O)c1 ZINC000558588668 1072165547 /nfs/dbraw/zinc/16/55/47/1072165547.db2.gz HPSJQFHVJUPRJZ-WMZOPIPTSA-N 1 2 435.525 -0.139 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000558641801 1072166268 /nfs/dbraw/zinc/16/62/68/1072166268.db2.gz CCXVOLLGOQZHDS-MSOLQXFVSA-N 1 2 445.520 -0.140 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000558641802 1072166347 /nfs/dbraw/zinc/16/63/47/1072166347.db2.gz CCXVOLLGOQZHDS-QZTJIDSGSA-N 1 2 445.520 -0.140 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000558641803 1072166216 /nfs/dbraw/zinc/16/62/16/1072166216.db2.gz CCXVOLLGOQZHDS-ROUUACIJSA-N 1 2 445.520 -0.140 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000558641804 1072166333 /nfs/dbraw/zinc/16/63/33/1072166333.db2.gz CCXVOLLGOQZHDS-ZWKOTPCHSA-N 1 2 445.520 -0.140 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cncc(-n2ccnn2)c1 ZINC000558760983 1072168053 /nfs/dbraw/zinc/16/80/53/1072168053.db2.gz SCRCKQFTDXWHOR-UHFFFAOYSA-N 1 2 442.505 -0.061 20 0 IBADLO Cc1nc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)sc1S(N)(=O)=O ZINC000558786588 1072168960 /nfs/dbraw/zinc/16/89/60/1072168960.db2.gz ZFLUWOBGVYPGNK-UHFFFAOYSA-N 1 2 446.580 0.058 20 0 IBADLO CCc1oc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C(=O)OC ZINC000558818430 1072168810 /nfs/dbraw/zinc/16/88/10/1072168810.db2.gz AQPFBSXYYWNPMV-UHFFFAOYSA-N 1 2 428.511 -0.121 20 0 IBADLO CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558998092 1072172248 /nfs/dbraw/zinc/17/22/48/1072172248.db2.gz PCKYHGVCJPKOTQ-UHFFFAOYSA-N 1 2 448.549 0.380 20 0 IBADLO CCOC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000559021245 1072173055 /nfs/dbraw/zinc/17/30/55/1072173055.db2.gz CBNHUWSZEFMWTC-UHFFFAOYSA-N 1 2 425.511 -0.492 20 0 IBADLO COCCc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000559070883 1072174262 /nfs/dbraw/zinc/17/42/62/1072174262.db2.gz NBKRMBZQVZESFE-GOSISDBHSA-N 1 2 433.505 -0.092 20 0 IBADLO COCCc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000559070887 1072174114 /nfs/dbraw/zinc/17/41/14/1072174114.db2.gz NBKRMBZQVZESFE-SFHVURJKSA-N 1 2 433.505 -0.092 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000559185972 1071002088 /nfs/dbraw/zinc/00/20/88/1071002088.db2.gz HTNPIAAXLSNPEP-CHWSQXEVSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000559185972 1071002073 /nfs/dbraw/zinc/00/20/73/1071002073.db2.gz HTNPIAAXLSNPEP-CHWSQXEVSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000559185980 1071001645 /nfs/dbraw/zinc/00/16/45/1071001645.db2.gz HTNPIAAXLSNPEP-OLZOCXBDSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000559185980 1071001625 /nfs/dbraw/zinc/00/16/25/1071001625.db2.gz HTNPIAAXLSNPEP-OLZOCXBDSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000559185984 1072175617 /nfs/dbraw/zinc/17/56/17/1072175617.db2.gz HTNPIAAXLSNPEP-QWHCGFSZSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000559185984 1072175611 /nfs/dbraw/zinc/17/56/11/1072175611.db2.gz HTNPIAAXLSNPEP-QWHCGFSZSA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000559185987 1072175593 /nfs/dbraw/zinc/17/55/93/1072175593.db2.gz HTNPIAAXLSNPEP-STQMWFEESA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000559185987 1072175591 /nfs/dbraw/zinc/17/55/91/1072175591.db2.gz HTNPIAAXLSNPEP-STQMWFEESA-N 1 2 445.567 -0.883 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000559238315 1072176888 /nfs/dbraw/zinc/17/68/88/1072176888.db2.gz BJHLNWXXDLHFGA-GOSISDBHSA-N 1 2 428.537 -0.115 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000559238317 1072177054 /nfs/dbraw/zinc/17/70/54/1072177054.db2.gz BJHLNWXXDLHFGA-SFHVURJKSA-N 1 2 428.537 -0.115 20 0 IBADLO Cn1nnc2cc(C(=O)NC[C@H]3CCn4ncc(C(=O)N5CC[NH+](C)CC5)c4C3)cnc21 ZINC000559238828 1072177048 /nfs/dbraw/zinc/17/70/48/1072177048.db2.gz HKMCJPQMQQQFMZ-AWEZNQCLSA-N 1 2 437.508 -0.060 20 0 IBADLO Cn1nnc2cc(C(=O)NC[C@@H]3CCn4ncc(C(=O)N5CC[NH+](C)CC5)c4C3)cnc21 ZINC000559238829 1072176907 /nfs/dbraw/zinc/17/69/07/1072176907.db2.gz HKMCJPQMQQQFMZ-CQSZACIVSA-N 1 2 437.508 -0.060 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000559243164 1072176972 /nfs/dbraw/zinc/17/69/72/1072176972.db2.gz QQWHAGMJGWZNBV-KRWDZBQOSA-N 1 2 447.584 -0.594 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000559243169 1072177020 /nfs/dbraw/zinc/17/70/20/1072177020.db2.gz QQWHAGMJGWZNBV-QGZVFWFLSA-N 1 2 447.584 -0.594 20 0 IBADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000559253189 1071008418 /nfs/dbraw/zinc/00/84/18/1071008418.db2.gz XVZVFWDYQPYUCT-UHFFFAOYSA-N 1 2 425.511 -0.669 20 0 IBADLO O=C(NCCc1ccccn1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000559279874 1072177525 /nfs/dbraw/zinc/17/75/25/1072177525.db2.gz FKHTWCKNHWCTPI-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO O=C(NCCc1ccccn1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000559279874 1072177519 /nfs/dbraw/zinc/17/75/19/1072177519.db2.gz FKHTWCKNHWCTPI-UHFFFAOYSA-N 1 2 425.493 -0.284 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283923 1072177645 /nfs/dbraw/zinc/17/76/45/1072177645.db2.gz FPECEBDNXJJOHX-DOTOQJQBSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283923 1072177642 /nfs/dbraw/zinc/17/76/42/1072177642.db2.gz FPECEBDNXJJOHX-DOTOQJQBSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283927 1072178239 /nfs/dbraw/zinc/17/82/39/1072178239.db2.gz FPECEBDNXJJOHX-NVXWUHKLSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283927 1072178235 /nfs/dbraw/zinc/17/82/35/1072178235.db2.gz FPECEBDNXJJOHX-NVXWUHKLSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283929 1072178170 /nfs/dbraw/zinc/17/81/70/1072178170.db2.gz FPECEBDNXJJOHX-RDJZCZTQSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283929 1072178165 /nfs/dbraw/zinc/17/81/65/1072178165.db2.gz FPECEBDNXJJOHX-RDJZCZTQSA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283930 1072178330 /nfs/dbraw/zinc/17/83/30/1072178330.db2.gz FPECEBDNXJJOHX-WBVHZDCISA-N 1 2 427.523 -0.370 20 0 IBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000559283930 1072178327 /nfs/dbraw/zinc/17/83/27/1072178327.db2.gz FPECEBDNXJJOHX-WBVHZDCISA-N 1 2 427.523 -0.370 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559285477 1072178286 /nfs/dbraw/zinc/17/82/86/1072178286.db2.gz LGCFCYWADXTWFT-UHFFFAOYSA-N 1 2 449.537 -0.958 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCSCC1 ZINC000559285908 1072178257 /nfs/dbraw/zinc/17/82/57/1072178257.db2.gz UPPNDRDBSCCTIE-UHFFFAOYSA-N 1 2 427.552 -0.775 20 0 IBADLO NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559288161 1072178211 /nfs/dbraw/zinc/17/82/11/1072178211.db2.gz VGICHILVEYBSOJ-HNNXBMFYSA-N 1 2 449.489 -0.350 20 0 IBADLO NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559288162 1072178202 /nfs/dbraw/zinc/17/82/02/1072178202.db2.gz VGICHILVEYBSOJ-OAHLLOKOSA-N 1 2 449.489 -0.350 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CCOCC3)cc2)CC1 ZINC000559288673 1072178148 /nfs/dbraw/zinc/17/81/48/1072178148.db2.gz MVCNLIMPICCJIZ-UHFFFAOYSA-N 1 2 432.521 -0.253 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC(CO)CC1 ZINC000559288714 1072178299 /nfs/dbraw/zinc/17/82/99/1072178299.db2.gz OODWWMITSZLUSG-KRWDZBQOSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC(CO)CC1 ZINC000559288714 1072178293 /nfs/dbraw/zinc/17/82/93/1072178293.db2.gz OODWWMITSZLUSG-KRWDZBQOSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC(CO)CC1 ZINC000559288715 1072178316 /nfs/dbraw/zinc/17/83/16/1072178316.db2.gz OODWWMITSZLUSG-QGZVFWFLSA-N 1 2 432.525 -0.371 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC(CO)CC1 ZINC000559288715 1072178310 /nfs/dbraw/zinc/17/83/10/1072178310.db2.gz OODWWMITSZLUSG-QGZVFWFLSA-N 1 2 432.525 -0.371 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000559297838 1072178906 /nfs/dbraw/zinc/17/89/06/1072178906.db2.gz RTCBGGURLDRXGK-INIZCTEOSA-N 1 2 428.497 -0.637 20 0 IBADLO C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000559297838 1072178902 /nfs/dbraw/zinc/17/89/02/1072178902.db2.gz RTCBGGURLDRXGK-INIZCTEOSA-N 1 2 428.497 -0.637 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000559297842 1072178894 /nfs/dbraw/zinc/17/88/94/1072178894.db2.gz RTCBGGURLDRXGK-MRXNPFEDSA-N 1 2 428.497 -0.637 20 0 IBADLO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000559297842 1072178890 /nfs/dbraw/zinc/17/88/90/1072178890.db2.gz RTCBGGURLDRXGK-MRXNPFEDSA-N 1 2 428.497 -0.637 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC000559390568 1073363688 /nfs/dbraw/zinc/36/36/88/1073363688.db2.gz BEYQDLBUNBXZBS-INIZCTEOSA-N 1 2 445.549 -0.214 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC000559390568 1073363675 /nfs/dbraw/zinc/36/36/75/1073363675.db2.gz BEYQDLBUNBXZBS-INIZCTEOSA-N 1 2 445.549 -0.214 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC000559390569 1072183823 /nfs/dbraw/zinc/18/38/23/1072183823.db2.gz BEYQDLBUNBXZBS-MRXNPFEDSA-N 1 2 445.549 -0.214 20 0 IBADLO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)n1 ZINC000559390569 1072183817 /nfs/dbraw/zinc/18/38/17/1072183817.db2.gz BEYQDLBUNBXZBS-MRXNPFEDSA-N 1 2 445.549 -0.214 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000559397096 1072184535 /nfs/dbraw/zinc/18/45/35/1072184535.db2.gz PAXDGUREYQOTBO-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000559397096 1072184533 /nfs/dbraw/zinc/18/45/33/1072184533.db2.gz PAXDGUREYQOTBO-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000559397098 1072184507 /nfs/dbraw/zinc/18/45/07/1072184507.db2.gz PAXDGUREYQOTBO-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000559397098 1072184505 /nfs/dbraw/zinc/18/45/05/1072184505.db2.gz PAXDGUREYQOTBO-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000559397100 1072184391 /nfs/dbraw/zinc/18/43/91/1072184391.db2.gz PAXDGUREYQOTBO-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000559397100 1072184378 /nfs/dbraw/zinc/18/43/78/1072184378.db2.gz PAXDGUREYQOTBO-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000559397101 1072184573 /nfs/dbraw/zinc/18/45/73/1072184573.db2.gz PAXDGUREYQOTBO-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000559397101 1072184571 /nfs/dbraw/zinc/18/45/71/1072184571.db2.gz PAXDGUREYQOTBO-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2CO)cn1 ZINC000559398687 1072185189 /nfs/dbraw/zinc/18/51/89/1072185189.db2.gz WWPAOCGLXYAABM-ACRUOGEOSA-N 1 2 441.532 -0.028 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2CO)cn1 ZINC000559398687 1072185186 /nfs/dbraw/zinc/18/51/86/1072185186.db2.gz WWPAOCGLXYAABM-ACRUOGEOSA-N 1 2 441.532 -0.028 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2CO)cn1 ZINC000559398690 1072185052 /nfs/dbraw/zinc/18/50/52/1072185052.db2.gz WWPAOCGLXYAABM-HBMCJLEFSA-N 1 2 441.532 -0.028 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2CO)cn1 ZINC000559398690 1072185047 /nfs/dbraw/zinc/18/50/47/1072185047.db2.gz WWPAOCGLXYAABM-HBMCJLEFSA-N 1 2 441.532 -0.028 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000559398859 1072184470 /nfs/dbraw/zinc/18/44/70/1072184470.db2.gz ZPHIWBHLSGVQGG-HSALFYBXSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000559398859 1072184462 /nfs/dbraw/zinc/18/44/62/1072184462.db2.gz ZPHIWBHLSGVQGG-HSALFYBXSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000559398860 1072184555 /nfs/dbraw/zinc/18/45/55/1072184555.db2.gz ZPHIWBHLSGVQGG-SLFFLAALSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000559398860 1072184552 /nfs/dbraw/zinc/18/45/52/1072184552.db2.gz ZPHIWBHLSGVQGG-SLFFLAALSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000559398861 1072184564 /nfs/dbraw/zinc/18/45/64/1072184564.db2.gz ZPHIWBHLSGVQGG-VAMGGRTRSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000559398861 1072184561 /nfs/dbraw/zinc/18/45/61/1072184561.db2.gz ZPHIWBHLSGVQGG-VAMGGRTRSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000559398862 1072184495 /nfs/dbraw/zinc/18/44/95/1072184495.db2.gz ZPHIWBHLSGVQGG-XUVXKRRUSA-N 1 2 435.521 -0.060 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000559398862 1072184490 /nfs/dbraw/zinc/18/44/90/1072184490.db2.gz ZPHIWBHLSGVQGG-XUVXKRRUSA-N 1 2 435.521 -0.060 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000559419750 1072185747 /nfs/dbraw/zinc/18/57/47/1072185747.db2.gz OAEOOEVBEDGOKN-IYBDPMFKSA-N 1 2 437.541 -0.075 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000559419750 1072185746 /nfs/dbraw/zinc/18/57/46/1072185746.db2.gz OAEOOEVBEDGOKN-IYBDPMFKSA-N 1 2 437.541 -0.075 20 0 IBADLO O=C(NCCc1ccco1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559420204 1072185638 /nfs/dbraw/zinc/18/56/38/1072185638.db2.gz QLULUXPLIOQHEG-UHFFFAOYSA-N 1 2 435.506 -0.399 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000559424689 1072186185 /nfs/dbraw/zinc/18/61/85/1072186185.db2.gz DMHHFZKCOZSEFN-UHFFFAOYSA-N 1 2 438.496 -0.354 20 0 IBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000559436694 1072186768 /nfs/dbraw/zinc/18/67/68/1072186768.db2.gz IOQGWCFXYRLKCS-UHFFFAOYSA-N 1 2 449.518 -0.463 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)CC2)cc[nH+]1 ZINC000559444455 1072187470 /nfs/dbraw/zinc/18/74/70/1072187470.db2.gz ONXWCPHCLMKTTN-CYBMUJFWSA-N 1 2 432.506 -0.042 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)CC2)cc[nH+]1 ZINC000559444456 1072187571 /nfs/dbraw/zinc/18/75/71/1072187571.db2.gz ONXWCPHCLMKTTN-ZDUSSCGKSA-N 1 2 432.506 -0.042 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000559449892 1072188029 /nfs/dbraw/zinc/18/80/29/1072188029.db2.gz ZBAVOXHNBFSULJ-UHFFFAOYSA-N 1 2 445.564 -0.196 20 0 IBADLO COc1cc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000559462302 1072188646 /nfs/dbraw/zinc/18/86/46/1072188646.db2.gz SCBHGPVTLHNDOI-HNNXBMFYSA-N 1 2 425.482 -0.520 20 0 IBADLO COc1cc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000559462303 1072188496 /nfs/dbraw/zinc/18/84/96/1072188496.db2.gz SCBHGPVTLHNDOI-OAHLLOKOSA-N 1 2 425.482 -0.520 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000559467827 1072189132 /nfs/dbraw/zinc/18/91/32/1072189132.db2.gz DETXTTBRNUAEEO-HNNXBMFYSA-N 1 2 431.497 -0.286 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000559467828 1072189301 /nfs/dbraw/zinc/18/93/01/1072189301.db2.gz DETXTTBRNUAEEO-OAHLLOKOSA-N 1 2 431.497 -0.286 20 0 IBADLO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000559485541 1072189797 /nfs/dbraw/zinc/18/97/97/1072189797.db2.gz LOHLPWLMPBICSF-LEWJYISDSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000559485542 1072189809 /nfs/dbraw/zinc/18/98/09/1072189809.db2.gz LOHLPWLMPBICSF-NHCUHLMSSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000559485543 1072189889 /nfs/dbraw/zinc/18/98/89/1072189889.db2.gz LOHLPWLMPBICSF-RTWAWAEBSA-N 1 2 448.564 -0.364 20 0 IBADLO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000559485544 1072189765 /nfs/dbraw/zinc/18/97/65/1072189765.db2.gz LOHLPWLMPBICSF-SFTDATJTSA-N 1 2 448.564 -0.364 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000559488908 1072190413 /nfs/dbraw/zinc/19/04/13/1072190413.db2.gz UHNYYGNOWCNSAA-PMACEKPBSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000559488909 1072190339 /nfs/dbraw/zinc/19/03/39/1072190339.db2.gz UHNYYGNOWCNSAA-UXHICEINSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000559488910 1072190441 /nfs/dbraw/zinc/19/04/41/1072190441.db2.gz UHNYYGNOWCNSAA-VQTJNVASSA-N 1 2 434.537 -0.672 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000559488911 1072190556 /nfs/dbraw/zinc/19/05/56/1072190556.db2.gz UHNYYGNOWCNSAA-WOJBJXKFSA-N 1 2 434.537 -0.672 20 0 IBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000559504736 1072191742 /nfs/dbraw/zinc/19/17/42/1072191742.db2.gz XXSFZOOKTZSIEL-UHFFFAOYSA-N 1 2 442.563 -0.308 20 0 IBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000559506741 1072191655 /nfs/dbraw/zinc/19/16/55/1072191655.db2.gz AMHSVWVXYSDTQP-HDICACEKSA-N 1 2 447.584 -0.281 20 0 IBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000559506741 1072191653 /nfs/dbraw/zinc/19/16/53/1072191653.db2.gz AMHSVWVXYSDTQP-HDICACEKSA-N 1 2 447.584 -0.281 20 0 IBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000559506753 1072191697 /nfs/dbraw/zinc/19/16/97/1072191697.db2.gz AMHSVWVXYSDTQP-QZTJIDSGSA-N 1 2 447.584 -0.281 20 0 IBADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000559506754 1072191647 /nfs/dbraw/zinc/19/16/47/1072191647.db2.gz AMHSVWVXYSDTQP-ROUUACIJSA-N 1 2 447.584 -0.281 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000559508085 1072192318 /nfs/dbraw/zinc/19/23/18/1072192318.db2.gz QKBMADMYKBEGOR-UHFFFAOYSA-N 1 2 441.529 -0.613 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000559529256 1072193534 /nfs/dbraw/zinc/19/35/34/1072193534.db2.gz WXLHZJXFQIYQAU-MSOLQXFVSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000559529257 1072193451 /nfs/dbraw/zinc/19/34/51/1072193451.db2.gz WXLHZJXFQIYQAU-QZTJIDSGSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000559529258 1072193477 /nfs/dbraw/zinc/19/34/77/1072193477.db2.gz WXLHZJXFQIYQAU-ROUUACIJSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000559529259 1072193607 /nfs/dbraw/zinc/19/36/07/1072193607.db2.gz WXLHZJXFQIYQAU-ZWKOTPCHSA-N 1 2 433.484 -0.084 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 ZINC000559531800 1072193582 /nfs/dbraw/zinc/19/35/82/1072193582.db2.gz MYWYGUVQRNUISG-UHFFFAOYSA-N 1 2 438.550 -0.371 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000559534294 1071071963 /nfs/dbraw/zinc/07/19/63/1071071963.db2.gz LFFXOWNCTUBVIK-MSOLQXFVSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000559534295 1072194278 /nfs/dbraw/zinc/19/42/78/1072194278.db2.gz LFFXOWNCTUBVIK-QZTJIDSGSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000559534297 1071072382 /nfs/dbraw/zinc/07/23/82/1071072382.db2.gz LFFXOWNCTUBVIK-ROUUACIJSA-N 1 2 433.484 -0.084 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000559534299 1072194235 /nfs/dbraw/zinc/19/42/35/1072194235.db2.gz LFFXOWNCTUBVIK-ZWKOTPCHSA-N 1 2 433.484 -0.084 20 0 IBADLO Cc1onc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000559536848 1073352675 /nfs/dbraw/zinc/35/26/75/1073352675.db2.gz FARJEWNLOIOJFU-UHFFFAOYSA-N 1 2 436.494 -0.107 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559549862 1071072607 /nfs/dbraw/zinc/07/26/07/1071072607.db2.gz NIJVCMZTECYOAP-MSOLQXFVSA-N 1 2 425.574 -0.482 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559549863 1071072977 /nfs/dbraw/zinc/07/29/77/1071072977.db2.gz NIJVCMZTECYOAP-QZTJIDSGSA-N 1 2 425.574 -0.482 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559549864 1072194777 /nfs/dbraw/zinc/19/47/77/1072194777.db2.gz NIJVCMZTECYOAP-ROUUACIJSA-N 1 2 425.574 -0.482 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559549865 1072194754 /nfs/dbraw/zinc/19/47/54/1072194754.db2.gz NIJVCMZTECYOAP-ZWKOTPCHSA-N 1 2 425.574 -0.482 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000559550374 1072194804 /nfs/dbraw/zinc/19/48/04/1072194804.db2.gz HATXBQAMJFYWQQ-DLBZAZTESA-N 1 2 434.541 -0.012 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000559550375 1072194721 /nfs/dbraw/zinc/19/47/21/1072194721.db2.gz HATXBQAMJFYWQQ-IAGOWNOFSA-N 1 2 434.541 -0.012 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000559550376 1072194789 /nfs/dbraw/zinc/19/47/89/1072194789.db2.gz HATXBQAMJFYWQQ-IRXDYDNUSA-N 1 2 434.541 -0.012 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000559550377 1072194733 /nfs/dbraw/zinc/19/47/33/1072194733.db2.gz HATXBQAMJFYWQQ-SJORKVTESA-N 1 2 434.541 -0.012 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000559550923 1072195561 /nfs/dbraw/zinc/19/55/61/1072195561.db2.gz AKDBPBLESZUZDP-GOSISDBHSA-N 1 2 433.557 -0.812 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000559550924 1072195321 /nfs/dbraw/zinc/19/53/21/1072195321.db2.gz AKDBPBLESZUZDP-SFHVURJKSA-N 1 2 433.557 -0.812 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000559551304 1072195468 /nfs/dbraw/zinc/19/54/68/1072195468.db2.gz HMLRAOVVBBVUOL-GSVIPDFHSA-N 1 2 440.585 -0.155 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000559551305 1072195492 /nfs/dbraw/zinc/19/54/92/1072195492.db2.gz HMLRAOVVBBVUOL-LVIWNVNYSA-N 1 2 440.585 -0.155 20 0 IBADLO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559551736 1072195513 /nfs/dbraw/zinc/19/55/13/1072195513.db2.gz PAIAMZZQUTXYFL-IBGZPJMESA-N 1 2 439.601 -0.138 20 0 IBADLO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559551737 1071072838 /nfs/dbraw/zinc/07/28/38/1071072838.db2.gz PAIAMZZQUTXYFL-LJQANCHMSA-N 1 2 439.601 -0.138 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000559567186 1071074066 /nfs/dbraw/zinc/07/40/66/1071074066.db2.gz LMSDHLDXXNRYKO-UHFFFAOYSA-N 1 2 441.579 -0.207 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000559572764 1072197203 /nfs/dbraw/zinc/19/72/03/1072197203.db2.gz AGQJCAJCIRLOJT-IBGZPJMESA-N 1 2 445.520 -0.431 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000559572772 1072197162 /nfs/dbraw/zinc/19/71/62/1072197162.db2.gz AGQJCAJCIRLOJT-LJQANCHMSA-N 1 2 445.520 -0.431 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000559576776 1072197414 /nfs/dbraw/zinc/19/74/14/1072197414.db2.gz SHRBBSVOSCDCDU-KRWDZBQOSA-N 1 2 430.509 -0.264 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000559576777 1072197269 /nfs/dbraw/zinc/19/72/69/1072197269.db2.gz SHRBBSVOSCDCDU-QGZVFWFLSA-N 1 2 430.509 -0.264 20 0 IBADLO COc1cc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000559592788 1072198808 /nfs/dbraw/zinc/19/88/08/1072198808.db2.gz IBGRPKJSGGJESK-UHFFFAOYSA-N 1 2 426.477 -0.044 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCOCC1 ZINC000559598533 1072199646 /nfs/dbraw/zinc/19/96/46/1072199646.db2.gz FFQPPCXEJHLFPA-DLBZAZTESA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCOCC1 ZINC000559598538 1072199611 /nfs/dbraw/zinc/19/96/11/1072199611.db2.gz FFQPPCXEJHLFPA-IAGOWNOFSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCOCC1 ZINC000559598539 1072199628 /nfs/dbraw/zinc/19/96/28/1072199628.db2.gz FFQPPCXEJHLFPA-IRXDYDNUSA-N 1 2 434.541 -0.105 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[NH+]1CCOCC1 ZINC000559598540 1072199743 /nfs/dbraw/zinc/19/97/43/1072199743.db2.gz FFQPPCXEJHLFPA-SJORKVTESA-N 1 2 434.541 -0.105 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000559598871 1072199771 /nfs/dbraw/zinc/19/97/71/1072199771.db2.gz FRUFVCBHDFQSFQ-UHFFFAOYSA-N 1 2 444.536 -0.699 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000559599758 1072199728 /nfs/dbraw/zinc/19/97/28/1072199728.db2.gz KFQKLCXPTPWOSD-IBGZPJMESA-N 1 2 447.584 -0.422 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000559599761 1072199715 /nfs/dbraw/zinc/19/97/15/1072199715.db2.gz KFQKLCXPTPWOSD-LJQANCHMSA-N 1 2 447.584 -0.422 20 0 IBADLO O=C(NCCc1cscn1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000559602562 1072199836 /nfs/dbraw/zinc/19/98/36/1072199836.db2.gz UQDBLYNTUURUPE-UHFFFAOYSA-N 1 2 431.522 -0.223 20 0 IBADLO O=C(NCCc1cscn1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000559602562 1072199834 /nfs/dbraw/zinc/19/98/34/1072199834.db2.gz UQDBLYNTUURUPE-UHFFFAOYSA-N 1 2 431.522 -0.223 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000559607858 1072201288 /nfs/dbraw/zinc/20/12/88/1072201288.db2.gz TYHAVNGZYOUCEP-UHFFFAOYSA-N 1 2 426.539 -0.350 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000559607858 1072201281 /nfs/dbraw/zinc/20/12/81/1072201281.db2.gz TYHAVNGZYOUCEP-UHFFFAOYSA-N 1 2 426.539 -0.350 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000559607978 1072201514 /nfs/dbraw/zinc/20/15/14/1072201514.db2.gz UMWQFMKBCSGKDI-UHFFFAOYSA-N 1 2 426.521 -0.130 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCN(C)CC1 ZINC000559612009 1071076336 /nfs/dbraw/zinc/07/63/36/1071076336.db2.gz FSZFRVJEUNUYSR-MSOLQXFVSA-N 1 2 447.584 -0.585 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCN(C)CC1 ZINC000559612013 1072202503 /nfs/dbraw/zinc/20/25/03/1072202503.db2.gz FSZFRVJEUNUYSR-QZTJIDSGSA-N 1 2 447.584 -0.585 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCN(C)CC1 ZINC000559612014 1072202603 /nfs/dbraw/zinc/20/26/03/1072202603.db2.gz FSZFRVJEUNUYSR-ROUUACIJSA-N 1 2 447.584 -0.585 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCN(C)CC1 ZINC000559612015 1071075947 /nfs/dbraw/zinc/07/59/47/1071075947.db2.gz FSZFRVJEUNUYSR-ZWKOTPCHSA-N 1 2 447.584 -0.585 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)[nH+]c3cnccc32)CC1 ZINC000559615968 1072202367 /nfs/dbraw/zinc/20/23/67/1072202367.db2.gz FAYKSRVDXVGIOS-CVEARBPZSA-N 1 2 442.520 -0.311 20 0 IBADLO C[C@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)c3ccncc3[nH+]2)CC1 ZINC000559615969 1072202582 /nfs/dbraw/zinc/20/25/82/1072202582.db2.gz FAYKSRVDXVGIOS-HOTGVXAUSA-N 1 2 442.520 -0.311 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@@H](C)O)CC3)c3ccncc3[nH+]2)CC1 ZINC000559615970 1072202620 /nfs/dbraw/zinc/20/26/20/1072202620.db2.gz FAYKSRVDXVGIOS-HZPDHXFCSA-N 1 2 442.520 -0.311 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)c3ccncc3[nH+]2)CC1 ZINC000559615971 1072202465 /nfs/dbraw/zinc/20/24/65/1072202465.db2.gz FAYKSRVDXVGIOS-JKSUJKDBSA-N 1 2 442.520 -0.311 20 0 IBADLO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000559619020 1072203251 /nfs/dbraw/zinc/20/32/51/1072203251.db2.gz LOJAFXIFDNOYGJ-KRWDZBQOSA-N 1 2 437.566 -0.191 20 0 IBADLO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000559619022 1072203203 /nfs/dbraw/zinc/20/32/03/1072203203.db2.gz LOJAFXIFDNOYGJ-QGZVFWFLSA-N 1 2 437.566 -0.191 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000559662596 1071077795 /nfs/dbraw/zinc/07/77/95/1071077795.db2.gz FVRZEFQHBYLEBG-UHFFFAOYSA-N 1 2 429.568 -0.691 20 0 IBADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000559667091 1072205471 /nfs/dbraw/zinc/20/54/71/1072205471.db2.gz YYDLRDIODFDAMC-HNNXBMFYSA-N 1 2 434.493 -0.017 20 0 IBADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000559667091 1072205461 /nfs/dbraw/zinc/20/54/61/1072205461.db2.gz YYDLRDIODFDAMC-HNNXBMFYSA-N 1 2 434.493 -0.017 20 0 IBADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000559667092 1072206074 /nfs/dbraw/zinc/20/60/74/1072206074.db2.gz YYDLRDIODFDAMC-OAHLLOKOSA-N 1 2 434.493 -0.017 20 0 IBADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000559667092 1072206066 /nfs/dbraw/zinc/20/60/66/1072206066.db2.gz YYDLRDIODFDAMC-OAHLLOKOSA-N 1 2 434.493 -0.017 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000559674067 1072207030 /nfs/dbraw/zinc/20/70/30/1072207030.db2.gz YJDULNPXYCDEBS-INIZCTEOSA-N 1 2 448.520 -0.134 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000559674067 1072207022 /nfs/dbraw/zinc/20/70/22/1072207022.db2.gz YJDULNPXYCDEBS-INIZCTEOSA-N 1 2 448.520 -0.134 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@H](C)C1 ZINC000559674072 1072206956 /nfs/dbraw/zinc/20/69/56/1072206956.db2.gz YJDULNPXYCDEBS-MRXNPFEDSA-N 1 2 448.520 -0.134 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@H](C)C1 ZINC000559674072 1072206947 /nfs/dbraw/zinc/20/69/47/1072206947.db2.gz YJDULNPXYCDEBS-MRXNPFEDSA-N 1 2 448.520 -0.134 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000559688553 1072208925 /nfs/dbraw/zinc/20/89/25/1072208925.db2.gz FFGBQNKEUIUDPC-AWEZNQCLSA-N 1 2 434.415 -0.210 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000559688562 1072208802 /nfs/dbraw/zinc/20/88/02/1072208802.db2.gz FFGBQNKEUIUDPC-CQSZACIVSA-N 1 2 434.415 -0.210 20 0 IBADLO COc1ncccc1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559689806 1072208941 /nfs/dbraw/zinc/20/89/41/1072208941.db2.gz OIEHHJLZVUUXGF-UHFFFAOYSA-N 1 2 426.477 -0.044 20 0 IBADLO CN(CC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000559762807 1072212219 /nfs/dbraw/zinc/21/22/19/1072212219.db2.gz MPWJTTGHJLYPSH-DLBZAZTESA-N 1 2 428.574 -0.468 20 0 IBADLO CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000559762810 1072212199 /nfs/dbraw/zinc/21/21/99/1072212199.db2.gz MPWJTTGHJLYPSH-IAGOWNOFSA-N 1 2 428.574 -0.468 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000559763072 1072212451 /nfs/dbraw/zinc/21/24/51/1072212451.db2.gz FZXVKTQYVDHJJA-UHFFFAOYSA-N 1 2 432.525 -0.670 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000559763072 1072212444 /nfs/dbraw/zinc/21/24/44/1072212444.db2.gz FZXVKTQYVDHJJA-UHFFFAOYSA-N 1 2 432.525 -0.670 20 0 IBADLO Cc1nc2ccccn2c(=O)c1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559793967 1072216171 /nfs/dbraw/zinc/21/61/71/1072216171.db2.gz ZBZPQCMNOBFBBX-UHFFFAOYSA-N 1 2 434.566 -0.345 20 0 IBADLO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)c2C)no1 ZINC000559795397 1072216201 /nfs/dbraw/zinc/21/62/01/1072216201.db2.gz DIONFWIZQFQKHN-HNNXBMFYSA-N 1 2 432.485 -0.022 20 0 IBADLO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)c2C)no1 ZINC000559795407 1072216159 /nfs/dbraw/zinc/21/61/59/1072216159.db2.gz DIONFWIZQFQKHN-OAHLLOKOSA-N 1 2 432.485 -0.022 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(CCO)C1CCC1 ZINC000559835134 1072218618 /nfs/dbraw/zinc/21/86/18/1072218618.db2.gz BSBRTXPDTZNKCF-UHFFFAOYSA-N 1 2 439.538 -0.977 20 0 IBADLO CC(C)(C)OCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559836574 1072218556 /nfs/dbraw/zinc/21/85/56/1072218556.db2.gz DKHNJLFFWCFSTD-UHFFFAOYSA-N 1 2 441.554 -0.419 20 0 IBADLO CSC1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559838551 1072218532 /nfs/dbraw/zinc/21/85/32/1072218532.db2.gz MMTBGOFGECHWEH-UHFFFAOYSA-N 1 2 441.579 -0.339 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000559839175 1072218487 /nfs/dbraw/zinc/21/84/87/1072218487.db2.gz QAQFKNGJQQSMCC-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000559839176 1072219179 /nfs/dbraw/zinc/21/91/79/1072219179.db2.gz QAQFKNGJQQSMCC-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO CN(C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000559843747 1072219156 /nfs/dbraw/zinc/21/91/56/1072219156.db2.gz NRUULZOUPSJGCQ-UHFFFAOYSA-N 1 2 439.538 -0.713 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000559844530 1072219077 /nfs/dbraw/zinc/21/90/77/1072219077.db2.gz HIMDEEUOXLNIEL-IBGZPJMESA-N 1 2 439.538 -0.665 20 0 IBADLO C[C@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000559844539 1072219042 /nfs/dbraw/zinc/21/90/42/1072219042.db2.gz HIMDEEUOXLNIEL-LJQANCHMSA-N 1 2 439.538 -0.665 20 0 IBADLO COC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000559845551 1072219014 /nfs/dbraw/zinc/21/90/14/1072219014.db2.gz PFYJSHJZIJANKT-INIZCTEOSA-N 1 2 441.554 -0.563 20 0 IBADLO COC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000559845557 1072219191 /nfs/dbraw/zinc/21/91/91/1072219191.db2.gz PFYJSHJZIJANKT-MRXNPFEDSA-N 1 2 441.554 -0.563 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCS1 ZINC000559845612 1072218920 /nfs/dbraw/zinc/21/89/20/1072218920.db2.gz RXVHWZCCNGMOHW-HNNXBMFYSA-N 1 2 441.579 -0.339 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCS1 ZINC000559845615 1072219118 /nfs/dbraw/zinc/21/91/18/1072219118.db2.gz RXVHWZCCNGMOHW-OAHLLOKOSA-N 1 2 441.579 -0.339 20 0 IBADLO C[C@]1(O)CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000559845642 1072218964 /nfs/dbraw/zinc/21/89/64/1072218964.db2.gz QKQAAJLPGLGXKB-IBGZPJMESA-N 1 2 439.538 -0.977 20 0 IBADLO C[C@@]1(O)CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000559845643 1072219060 /nfs/dbraw/zinc/21/90/60/1072219060.db2.gz QKQAAJLPGLGXKB-LJQANCHMSA-N 1 2 439.538 -0.977 20 0 IBADLO CC[C@H]1COCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559845661 1072219096 /nfs/dbraw/zinc/21/90/96/1072219096.db2.gz QUHQJAGZKRTTET-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO CC[C@@H]1COCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559845662 1072218939 /nfs/dbraw/zinc/21/89/39/1072218939.db2.gz QUHQJAGZKRTTET-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO C[C@@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000559845706 1072219170 /nfs/dbraw/zinc/21/91/70/1072219170.db2.gz SXRXUWZQNOFPFO-IBGZPJMESA-N 1 2 439.538 -0.808 20 0 IBADLO C[C@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000559845708 1072219129 /nfs/dbraw/zinc/21/91/29/1072219129.db2.gz SXRXUWZQNOFPFO-LJQANCHMSA-N 1 2 439.538 -0.808 20 0 IBADLO Cn1cccc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559846303 1072219586 /nfs/dbraw/zinc/21/95/86/1072219586.db2.gz WYENDQJXZUOGAA-UHFFFAOYSA-N 1 2 434.522 -0.696 20 0 IBADLO Cc1cc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000559846320 1072219717 /nfs/dbraw/zinc/21/97/17/1072219717.db2.gz XJGJBHIXZDSRIC-UHFFFAOYSA-N 1 2 436.494 -0.738 20 0 IBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000559855455 1072221408 /nfs/dbraw/zinc/22/14/08/1072221408.db2.gz ADNFMAWATBCOTL-UHFFFAOYSA-N 1 2 444.580 -0.406 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000559856012 1072221865 /nfs/dbraw/zinc/22/18/65/1072221865.db2.gz DKPRKMGDZPTEOV-MOPGFXCFSA-N 1 2 445.568 -0.716 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000559856016 1072221895 /nfs/dbraw/zinc/22/18/95/1072221895.db2.gz DKPRKMGDZPTEOV-OALUTQOASA-N 1 2 445.568 -0.716 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000559856018 1072221944 /nfs/dbraw/zinc/22/19/44/1072221944.db2.gz DKPRKMGDZPTEOV-RBUKOAKNSA-N 1 2 445.568 -0.716 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000559856020 1072221903 /nfs/dbraw/zinc/22/19/03/1072221903.db2.gz DKPRKMGDZPTEOV-RTBURBONSA-N 1 2 445.568 -0.716 20 0 IBADLO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000559856068 1072221925 /nfs/dbraw/zinc/22/19/25/1072221925.db2.gz FDLXIZMHUVNDBL-INIZCTEOSA-N 1 2 434.516 -0.029 20 0 IBADLO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000559856069 1072221878 /nfs/dbraw/zinc/22/18/78/1072221878.db2.gz FDLXIZMHUVNDBL-MRXNPFEDSA-N 1 2 434.516 -0.029 20 0 IBADLO CS(=O)(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000559857012 1072221851 /nfs/dbraw/zinc/22/18/51/1072221851.db2.gz JXUBVMPGBDJZPO-UHFFFAOYSA-N 1 2 441.529 -0.832 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cn1 ZINC000559858004 1072222829 /nfs/dbraw/zinc/22/28/29/1072222829.db2.gz RPCYDUTUWNPDRT-UHFFFAOYSA-N 1 2 439.520 -0.466 20 0 IBADLO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000559873176 1072223864 /nfs/dbraw/zinc/22/38/64/1072223864.db2.gz FWSRTDZDBGRBCV-UHFFFAOYSA-N 1 2 442.524 -0.371 20 0 IBADLO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000559873176 1072223863 /nfs/dbraw/zinc/22/38/63/1072223863.db2.gz FWSRTDZDBGRBCV-UHFFFAOYSA-N 1 2 442.524 -0.371 20 0 IBADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559899082 1072224840 /nfs/dbraw/zinc/22/48/40/1072224840.db2.gz FZYNMWBCIGERCD-UHFFFAOYSA-N 1 2 428.493 -0.884 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559900020 1072224766 /nfs/dbraw/zinc/22/47/66/1072224766.db2.gz HYSNYFDGCLYUKD-UHFFFAOYSA-N 1 2 444.536 -0.830 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)N1CCCC1 ZINC000559901375 1072224786 /nfs/dbraw/zinc/22/47/86/1072224786.db2.gz NTUNUSBSGAURCA-UHFFFAOYSA-N 1 2 428.537 -0.067 20 0 IBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000559903392 1072224799 /nfs/dbraw/zinc/22/47/99/1072224799.db2.gz LCXJBGGGBFREGB-INIZCTEOSA-N 1 2 439.538 -0.347 20 0 IBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000559903403 1072224848 /nfs/dbraw/zinc/22/48/48/1072224848.db2.gz LCXJBGGGBFREGB-MRXNPFEDSA-N 1 2 439.538 -0.347 20 0 IBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000559904379 1072224712 /nfs/dbraw/zinc/22/47/12/1072224712.db2.gz PXILKTPQYDNEAA-UHFFFAOYSA-N 1 2 436.494 -0.338 20 0 IBADLO C[C@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(N)=O ZINC000559944450 1072226507 /nfs/dbraw/zinc/22/65/07/1072226507.db2.gz NGPAREHUSZUSLI-CRAIPNDOSA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(N)=O ZINC000559944456 1073354356 /nfs/dbraw/zinc/35/43/56/1073354356.db2.gz NGPAREHUSZUSLI-MAUKXSAKSA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(N)=O ZINC000559944458 1072226351 /nfs/dbraw/zinc/22/63/51/1072226351.db2.gz NGPAREHUSZUSLI-QAPCUYQASA-N 1 2 428.493 -0.072 20 0 IBADLO C[C@@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(N)=O ZINC000559944460 1072226432 /nfs/dbraw/zinc/22/64/32/1072226432.db2.gz NGPAREHUSZUSLI-YJBOKZPZSA-N 1 2 428.493 -0.072 20 0 IBADLO CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000559958882 1072226843 /nfs/dbraw/zinc/22/68/43/1072226843.db2.gz KIWINDVLFYZDNR-INIZCTEOSA-N 1 2 441.554 -0.030 20 0 IBADLO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000559958884 1073350218 /nfs/dbraw/zinc/35/02/18/1073350218.db2.gz KIWINDVLFYZDNR-MRXNPFEDSA-N 1 2 441.554 -0.030 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000559969460 1072226871 /nfs/dbraw/zinc/22/68/71/1072226871.db2.gz ZZLLWVXSRDFPHJ-HNNXBMFYSA-N 1 2 435.506 -0.071 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000559969462 1071089721 /nfs/dbraw/zinc/08/97/21/1071089721.db2.gz ZZLLWVXSRDFPHJ-OAHLLOKOSA-N 1 2 435.506 -0.071 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000559974172 1072227519 /nfs/dbraw/zinc/22/75/19/1072227519.db2.gz HKGDJICGGOEWSQ-AWEZNQCLSA-N 1 2 425.511 -0.343 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000559974175 1072227488 /nfs/dbraw/zinc/22/74/88/1072227488.db2.gz HKGDJICGGOEWSQ-CQSZACIVSA-N 1 2 425.511 -0.343 20 0 IBADLO CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000559987510 1072228068 /nfs/dbraw/zinc/22/80/68/1072228068.db2.gz MQFUTMMOEVFQCM-GOSISDBHSA-N 1 2 435.525 -0.016 20 0 IBADLO CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000559987511 1072228039 /nfs/dbraw/zinc/22/80/39/1072228039.db2.gz MQFUTMMOEVFQCM-SFHVURJKSA-N 1 2 435.525 -0.016 20 0 IBADLO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559988137 1072228364 /nfs/dbraw/zinc/22/83/64/1072228364.db2.gz YKAPSGSQODJLCU-UHFFFAOYSA-N 1 2 441.536 -0.054 20 0 IBADLO CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000560014172 1072229153 /nfs/dbraw/zinc/22/91/53/1072229153.db2.gz UYFYIQIBQVMKCM-DLBZAZTESA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000560014182 1072229289 /nfs/dbraw/zinc/22/92/89/1072229289.db2.gz UYFYIQIBQVMKCM-IAGOWNOFSA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000560014184 1072229221 /nfs/dbraw/zinc/22/92/21/1072229221.db2.gz UYFYIQIBQVMKCM-IRXDYDNUSA-N 1 2 429.587 -0.292 20 0 IBADLO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000560014187 1071090774 /nfs/dbraw/zinc/09/07/74/1071090774.db2.gz UYFYIQIBQVMKCM-SJORKVTESA-N 1 2 429.587 -0.292 20 0 IBADLO Cc1cc(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000560043113 1072231498 /nfs/dbraw/zinc/23/14/98/1072231498.db2.gz RCGMZJZTVYNQRS-UHFFFAOYSA-N 1 2 429.524 -0.051 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000560184854 1072233541 /nfs/dbraw/zinc/23/35/41/1072233541.db2.gz KUYFWBVSBWDPCW-FQEVSTJZSA-N 1 2 447.536 -0.332 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000560184861 1072233519 /nfs/dbraw/zinc/23/35/19/1072233519.db2.gz KUYFWBVSBWDPCW-HXUWFJFHSA-N 1 2 447.536 -0.332 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000560193414 1072234145 /nfs/dbraw/zinc/23/41/45/1072234145.db2.gz VZVMHSDZVVOSSS-UHFFFAOYSA-N 1 2 433.509 -0.248 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)CC2)cc[nH+]1 ZINC000560211245 1072235206 /nfs/dbraw/zinc/23/52/06/1072235206.db2.gz FPLVILALXMMUFI-UHFFFAOYSA-N 1 2 439.476 -0.370 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000560240159 1072235919 /nfs/dbraw/zinc/23/59/19/1072235919.db2.gz RDEQKESDQYEIBQ-HNNXBMFYSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000560240159 1072235913 /nfs/dbraw/zinc/23/59/13/1072235913.db2.gz RDEQKESDQYEIBQ-HNNXBMFYSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000560240160 1072235906 /nfs/dbraw/zinc/23/59/06/1072235906.db2.gz RDEQKESDQYEIBQ-OAHLLOKOSA-N 1 2 439.534 -0.057 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000560240160 1072235898 /nfs/dbraw/zinc/23/58/98/1072235898.db2.gz RDEQKESDQYEIBQ-OAHLLOKOSA-N 1 2 439.534 -0.057 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000560305727 1072238893 /nfs/dbraw/zinc/23/88/93/1072238893.db2.gz PSPLANDNTRLSAO-KRWDZBQOSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000560305727 1072238888 /nfs/dbraw/zinc/23/88/88/1072238888.db2.gz PSPLANDNTRLSAO-KRWDZBQOSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000560305731 1072238857 /nfs/dbraw/zinc/23/88/57/1072238857.db2.gz PSPLANDNTRLSAO-QGZVFWFLSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1nccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000560305731 1072238848 /nfs/dbraw/zinc/23/88/48/1072238848.db2.gz PSPLANDNTRLSAO-QGZVFWFLSA-N 1 2 440.508 -0.187 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560307506 1072239522 /nfs/dbraw/zinc/23/95/22/1072239522.db2.gz MNYVAVVCTKYFKH-INIZCTEOSA-N 1 2 429.543 -0.322 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560307507 1072239502 /nfs/dbraw/zinc/23/95/02/1072239502.db2.gz MNYVAVVCTKYFKH-MRXNPFEDSA-N 1 2 429.543 -0.322 20 0 IBADLO Cn1c[nH+]cc1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000560368792 1072240058 /nfs/dbraw/zinc/24/00/58/1072240058.db2.gz RQJZDOVCXATAFG-UHFFFAOYSA-N 1 2 434.478 -0.033 20 0 IBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000560587460 1072241744 /nfs/dbraw/zinc/24/17/44/1072241744.db2.gz CWDOYSLSEQQPTN-HNNXBMFYSA-N 1 2 437.522 -0.209 20 0 IBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000560587461 1072241756 /nfs/dbraw/zinc/24/17/56/1072241756.db2.gz CWDOYSLSEQQPTN-OAHLLOKOSA-N 1 2 437.522 -0.209 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000560594515 1072241713 /nfs/dbraw/zinc/24/17/13/1072241713.db2.gz FMXHRXZUMVAHLJ-KRWDZBQOSA-N 1 2 438.550 -0.430 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000560594516 1072241804 /nfs/dbraw/zinc/24/18/04/1072241804.db2.gz FMXHRXZUMVAHLJ-QGZVFWFLSA-N 1 2 438.550 -0.430 20 0 IBADLO C[C@@H](CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000560672284 1072244364 /nfs/dbraw/zinc/24/43/64/1072244364.db2.gz HOHBVFWIFNKVCE-HNNXBMFYSA-N 1 2 427.523 -0.437 20 0 IBADLO C[C@H](CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000560672285 1072244471 /nfs/dbraw/zinc/24/44/71/1072244471.db2.gz HOHBVFWIFNKVCE-OAHLLOKOSA-N 1 2 427.523 -0.437 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000560672845 1072244317 /nfs/dbraw/zinc/24/43/17/1072244317.db2.gz NLDAGEGRTBGVJO-IBGZPJMESA-N 1 2 432.521 -0.443 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000560672846 1072244651 /nfs/dbraw/zinc/24/46/51/1072244651.db2.gz NLDAGEGRTBGVJO-LJQANCHMSA-N 1 2 432.521 -0.443 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000560673783 1072244571 /nfs/dbraw/zinc/24/45/71/1072244571.db2.gz URCBRBQXIYOXII-UHFFFAOYSA-N 1 2 446.548 -0.005 20 0 IBADLO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000560674528 1072244439 /nfs/dbraw/zinc/24/44/39/1072244439.db2.gz GYSSSHLRRFQCHG-UHFFFAOYSA-N 1 2 435.525 -0.257 20 0 IBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000560674937 1072244605 /nfs/dbraw/zinc/24/46/05/1072244605.db2.gz IJBXTQJNWUOELE-INIZCTEOSA-N 1 2 441.550 -0.095 20 0 IBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000560674940 1072244517 /nfs/dbraw/zinc/24/45/17/1072244517.db2.gz IJBXTQJNWUOELE-MRXNPFEDSA-N 1 2 441.550 -0.095 20 0 IBADLO C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000560676776 1072245212 /nfs/dbraw/zinc/24/52/12/1072245212.db2.gz UHLQBDGEBTYYPQ-HNNXBMFYSA-N 1 2 427.523 -0.437 20 0 IBADLO C[C@H](CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000560676779 1072245195 /nfs/dbraw/zinc/24/51/95/1072245195.db2.gz UHLQBDGEBTYYPQ-OAHLLOKOSA-N 1 2 427.523 -0.437 20 0 IBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(OCC[NH+]3CCOCC3)c1)C2 ZINC000560677158 1072245018 /nfs/dbraw/zinc/24/50/18/1072245018.db2.gz WTLBWXYBDMXOOO-UHFFFAOYSA-N 1 2 428.493 -0.044 20 0 IBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000560677661 1072244910 /nfs/dbraw/zinc/24/49/10/1072244910.db2.gz ZFQLWIICAZTHOD-KRWDZBQOSA-N 1 2 433.509 -0.456 20 0 IBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000560677662 1072245065 /nfs/dbraw/zinc/24/50/65/1072245065.db2.gz ZFQLWIICAZTHOD-QGZVFWFLSA-N 1 2 433.509 -0.456 20 0 IBADLO COc1ccccc1N1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000560749228 1072246777 /nfs/dbraw/zinc/24/67/77/1072246777.db2.gz NWAGLHXDNGBEAA-GOSISDBHSA-N 1 2 434.537 -0.068 20 0 IBADLO COc1ccccc1N1CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000560749229 1072246710 /nfs/dbraw/zinc/24/67/10/1072246710.db2.gz NWAGLHXDNGBEAA-SFHVURJKSA-N 1 2 434.537 -0.068 20 0 IBADLO O=C(NCCOCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560778007 1072247247 /nfs/dbraw/zinc/24/72/47/1072247247.db2.gz SQLGSMGQVRLMCS-KRWDZBQOSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCCOCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560778007 1072247240 /nfs/dbraw/zinc/24/72/40/1072247240.db2.gz SQLGSMGQVRLMCS-KRWDZBQOSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCCOCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560778008 1072247740 /nfs/dbraw/zinc/24/77/40/1072247740.db2.gz SQLGSMGQVRLMCS-QGZVFWFLSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCCOCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560778008 1072247736 /nfs/dbraw/zinc/24/77/36/1072247736.db2.gz SQLGSMGQVRLMCS-QGZVFWFLSA-N 1 2 432.525 -0.059 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000560874070 1072249970 /nfs/dbraw/zinc/24/99/70/1072249970.db2.gz AEHWKNXBYQVGSL-UHFFFAOYSA-N 1 2 431.537 -0.368 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@H](C)C1 ZINC000560876055 1072249998 /nfs/dbraw/zinc/24/99/98/1072249998.db2.gz VUOQMDWCEQTPFM-AEFFLSMTSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@H](C)C1 ZINC000560876055 1072249993 /nfs/dbraw/zinc/24/99/93/1072249993.db2.gz VUOQMDWCEQTPFM-AEFFLSMTSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@@H](C)C1 ZINC000560876060 1072250012 /nfs/dbraw/zinc/25/00/12/1072250012.db2.gz VUOQMDWCEQTPFM-FUHWJXTLSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@@H](C)C1 ZINC000560876060 1072250008 /nfs/dbraw/zinc/25/00/08/1072250008.db2.gz VUOQMDWCEQTPFM-FUHWJXTLSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@H](C)C1 ZINC000560876065 1072249899 /nfs/dbraw/zinc/24/98/99/1072249899.db2.gz VUOQMDWCEQTPFM-SJLPKXTDSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@H](C)C1 ZINC000560876065 1072249886 /nfs/dbraw/zinc/24/98/86/1072249886.db2.gz VUOQMDWCEQTPFM-SJLPKXTDSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@@H](C)C1 ZINC000560876069 1071132178 /nfs/dbraw/zinc/13/21/78/1071132178.db2.gz VUOQMDWCEQTPFM-WMZOPIPTSA-N 1 2 430.505 -0.001 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@@H](C)C1 ZINC000560876069 1071132170 /nfs/dbraw/zinc/13/21/70/1071132170.db2.gz VUOQMDWCEQTPFM-WMZOPIPTSA-N 1 2 430.505 -0.001 20 0 IBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000560907960 1072253913 /nfs/dbraw/zinc/25/39/13/1072253913.db2.gz DAWRAQORORGOQS-UHFFFAOYSA-N 1 2 432.525 -0.485 20 0 IBADLO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000560908557 1072254044 /nfs/dbraw/zinc/25/40/44/1072254044.db2.gz FNDUKCMEQZSLCH-GOSISDBHSA-N 1 2 444.536 -0.389 20 0 IBADLO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000560908562 1072254120 /nfs/dbraw/zinc/25/41/20/1072254120.db2.gz FNDUKCMEQZSLCH-SFHVURJKSA-N 1 2 444.536 -0.389 20 0 IBADLO COCCN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000560908879 1072254031 /nfs/dbraw/zinc/25/40/31/1072254031.db2.gz IWAAZJHBEYQYTM-KRWDZBQOSA-N 1 2 433.509 -0.500 20 0 IBADLO COCCN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000560908881 1072254102 /nfs/dbraw/zinc/25/41/02/1072254102.db2.gz IWAAZJHBEYQYTM-QGZVFWFLSA-N 1 2 433.509 -0.500 20 0 IBADLO CC(=O)N1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000560910047 1072254005 /nfs/dbraw/zinc/25/40/05/1072254005.db2.gz MJAIGZAQNFIOBO-UHFFFAOYSA-N 1 2 430.509 -0.683 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000560910499 1072254166 /nfs/dbraw/zinc/25/41/66/1072254166.db2.gz PQKQVQJVYKBSDY-UHFFFAOYSA-N 1 2 431.537 -0.368 20 0 IBADLO CCN1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000560911849 1072254075 /nfs/dbraw/zinc/25/40/75/1072254075.db2.gz USEFWCNZHXCSQH-INIZCTEOSA-N 1 2 430.509 -0.684 20 0 IBADLO CCN1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000560911853 1072254518 /nfs/dbraw/zinc/25/45/18/1072254518.db2.gz USEFWCNZHXCSQH-MRXNPFEDSA-N 1 2 430.509 -0.684 20 0 IBADLO O=C(CCNC(=O)C(=O)NCC1(N2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000560911949 1072254536 /nfs/dbraw/zinc/25/45/36/1072254536.db2.gz WHBSNEJJRXMUJW-UHFFFAOYSA-N 1 2 444.536 -0.783 20 0 IBADLO CCC(=O)N1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000560912296 1072254522 /nfs/dbraw/zinc/25/45/22/1072254522.db2.gz XUEUOAGUARUWMT-UHFFFAOYSA-N 1 2 444.536 -0.293 20 0 IBADLO COC[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000560917361 1072255005 /nfs/dbraw/zinc/25/50/05/1072255005.db2.gz FTBUAQJAMBSLQU-DLBZAZTESA-N 1 2 433.509 -0.453 20 0 IBADLO COC[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000560917367 1072255129 /nfs/dbraw/zinc/25/51/29/1072255129.db2.gz FTBUAQJAMBSLQU-IAGOWNOFSA-N 1 2 433.509 -0.453 20 0 IBADLO COC[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000560917371 1072254986 /nfs/dbraw/zinc/25/49/86/1072254986.db2.gz FTBUAQJAMBSLQU-IRXDYDNUSA-N 1 2 433.509 -0.453 20 0 IBADLO COC[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000560917378 1072255095 /nfs/dbraw/zinc/25/50/95/1072255095.db2.gz FTBUAQJAMBSLQU-SJORKVTESA-N 1 2 433.509 -0.453 20 0 IBADLO NC(=O)c1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000560917652 1072255114 /nfs/dbraw/zinc/25/51/14/1072255114.db2.gz FZYNTEQDNDEXKW-UHFFFAOYSA-N 1 2 439.476 -0.953 20 0 IBADLO NC(=O)c1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000560917664 1072255152 /nfs/dbraw/zinc/25/51/52/1072255152.db2.gz GIKVESKNLCNVJM-UHFFFAOYSA-N 1 2 438.488 -0.348 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCN(CC(F)F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000560918427 1072255219 /nfs/dbraw/zinc/25/52/19/1072255219.db2.gz KVPQWBIJUAUAJB-UHFFFAOYSA-N 1 2 438.479 -0.354 20 0 IBADLO CNC(=O)CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000560918668 1072255184 /nfs/dbraw/zinc/25/51/84/1072255184.db2.gz KSAIGDAZUULJHU-UHFFFAOYSA-N 1 2 444.536 -0.389 20 0 IBADLO COc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000560919230 1072255719 /nfs/dbraw/zinc/25/57/19/1072255719.db2.gz MYFYBYITKYFSJQ-UHFFFAOYSA-N 1 2 426.477 -0.044 20 0 IBADLO C[S@](=O)C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000560920059 1072255565 /nfs/dbraw/zinc/25/55/65/1072255565.db2.gz PYUYCNJTEZHWEV-PMERELPUSA-N 1 2 435.550 -0.346 20 0 IBADLO C[S@@](=O)C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000560920061 1072255682 /nfs/dbraw/zinc/25/56/82/1072255682.db2.gz PYUYCNJTEZHWEV-SSEXGKCCSA-N 1 2 435.550 -0.346 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]2(CCOC2)O1 ZINC000560921215 1072255631 /nfs/dbraw/zinc/25/56/31/1072255631.db2.gz YKSFZPJVWPPNIP-HTAPYJJXSA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]2(CCOC2)O1 ZINC000560921216 1072256214 /nfs/dbraw/zinc/25/62/14/1072256214.db2.gz YKSFZPJVWPPNIP-JTSKRJEESA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]2(CCOC2)O1 ZINC000560921217 1072256141 /nfs/dbraw/zinc/25/61/41/1072256141.db2.gz YKSFZPJVWPPNIP-VGOFRKELSA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]2(CCOC2)O1 ZINC000560921218 1072256198 /nfs/dbraw/zinc/25/61/98/1072256198.db2.gz YKSFZPJVWPPNIP-VGSWGCGISA-N 1 2 445.520 -0.357 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCSC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000560921392 1072255610 /nfs/dbraw/zinc/25/56/10/1072255610.db2.gz VJIYMBSGGHFXPT-INIZCTEOSA-N 1 2 435.550 -0.437 20 0 IBADLO COC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000560921394 1072255555 /nfs/dbraw/zinc/25/55/55/1072255555.db2.gz YFBGFBLDOXNHFJ-INIZCTEOSA-N 1 2 431.493 -0.352 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCSC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000560921395 1072255736 /nfs/dbraw/zinc/25/57/36/1072255736.db2.gz VJIYMBSGGHFXPT-MRXNPFEDSA-N 1 2 435.550 -0.437 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCN3C(=O)[C@@H]4CNC(=O)CN4C3=O)cc2)CC1 ZINC000560977512 1072258251 /nfs/dbraw/zinc/25/82/51/1072258251.db2.gz WCMXGDUZGJXOQW-IBGZPJMESA-N 1 2 443.504 -0.465 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCN3C(=O)[C@H]4CNC(=O)CN4C3=O)cc2)CC1 ZINC000560977513 1072258367 /nfs/dbraw/zinc/25/83/67/1072258367.db2.gz WCMXGDUZGJXOQW-LJQANCHMSA-N 1 2 443.504 -0.465 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560983379 1072259324 /nfs/dbraw/zinc/25/93/24/1072259324.db2.gz XKBQAUYIUDPXNQ-MOPGFXCFSA-N 1 2 431.537 -0.042 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560983380 1072259817 /nfs/dbraw/zinc/25/98/17/1072259817.db2.gz XKBQAUYIUDPXNQ-OALUTQOASA-N 1 2 431.537 -0.042 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560983381 1072259909 /nfs/dbraw/zinc/25/99/09/1072259909.db2.gz XKBQAUYIUDPXNQ-RBUKOAKNSA-N 1 2 431.537 -0.042 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560983382 1072259892 /nfs/dbraw/zinc/25/98/92/1072259892.db2.gz XKBQAUYIUDPXNQ-RTBURBONSA-N 1 2 431.537 -0.042 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000560983447 1072259428 /nfs/dbraw/zinc/25/94/28/1072259428.db2.gz AJEFNCSHBRNUMI-UHFFFAOYSA-N 1 2 440.508 -0.239 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560983450 1072259340 /nfs/dbraw/zinc/25/93/40/1072259340.db2.gz APRCQUGUQXYHFP-UHFFFAOYSA-N 1 2 428.497 -0.623 20 0 IBADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000560983909 1072259298 /nfs/dbraw/zinc/25/92/98/1072259298.db2.gz JXYZXQARDUMBKN-INIZCTEOSA-N 1 2 440.508 -0.619 20 0 IBADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000560983911 1072259276 /nfs/dbraw/zinc/25/92/76/1072259276.db2.gz JXYZXQARDUMBKN-MRXNPFEDSA-N 1 2 440.508 -0.619 20 0 IBADLO COc1cccc(N2C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000561041293 1072261978 /nfs/dbraw/zinc/26/19/78/1072261978.db2.gz AKBVRFDANHYKSR-DOTOQJQBSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1cccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000561041294 1072262224 /nfs/dbraw/zinc/26/22/24/1072262224.db2.gz AKBVRFDANHYKSR-NVXWUHKLSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1cccc(N2C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000561041295 1072262250 /nfs/dbraw/zinc/26/22/50/1072262250.db2.gz AKBVRFDANHYKSR-RDJZCZTQSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1cccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000561041296 1072262088 /nfs/dbraw/zinc/26/20/88/1072262088.db2.gz AKBVRFDANHYKSR-WBVHZDCISA-N 1 2 434.493 -0.932 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000561051094 1072263436 /nfs/dbraw/zinc/26/34/36/1072263436.db2.gz RYKVJNSFYQNOJF-UHFFFAOYSA-N 1 2 431.537 -0.153 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000561051094 1072263431 /nfs/dbraw/zinc/26/34/31/1072263431.db2.gz RYKVJNSFYQNOJF-UHFFFAOYSA-N 1 2 431.537 -0.153 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000561101799 1072264646 /nfs/dbraw/zinc/26/46/46/1072264646.db2.gz RANXRJKNBNIZIW-UHFFFAOYSA-N 1 2 435.529 -0.108 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000561101799 1072264643 /nfs/dbraw/zinc/26/46/43/1072264643.db2.gz RANXRJKNBNIZIW-UHFFFAOYSA-N 1 2 435.529 -0.108 20 0 IBADLO CS(=O)(=O)c1ccc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000561120028 1073351787 /nfs/dbraw/zinc/35/17/87/1073351787.db2.gz VABIDODYXIROMD-UHFFFAOYSA-N 1 2 425.536 0.444 20 0 IBADLO Nc1nc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nc(N2CCOCC2)n1 ZINC000561140689 1072266376 /nfs/dbraw/zinc/26/63/76/1072266376.db2.gz JKSOGOOVDSWYHS-UHFFFAOYSA-N 1 2 430.488 -0.019 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@@H]3CO)cc2)CC1 ZINC000561142841 1072266312 /nfs/dbraw/zinc/26/63/12/1072266312.db2.gz URZIWONCNCPKJR-HXUWFJFHSA-N 1 2 446.548 -0.129 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)cs1 ZINC000561178538 1072268630 /nfs/dbraw/zinc/26/86/30/1072268630.db2.gz XICCUJKNEUAIRO-UHFFFAOYSA-N 1 2 442.571 -0.784 20 0 IBADLO CCOC(=O)c1cnc(N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)s1 ZINC000561204162 1072269354 /nfs/dbraw/zinc/26/93/54/1072269354.db2.gz BYXMHCXKIPMIIC-UHFFFAOYSA-N 1 2 436.542 -0.100 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000561205285 1072269228 /nfs/dbraw/zinc/26/92/28/1072269228.db2.gz ONNNMFRFTUNZQM-DZGCQCFKSA-N 1 2 444.579 -0.016 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000561205286 1072269308 /nfs/dbraw/zinc/26/93/08/1072269308.db2.gz ONNNMFRFTUNZQM-HIFRSBDPSA-N 1 2 444.579 -0.016 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000561205287 1072269269 /nfs/dbraw/zinc/26/92/69/1072269269.db2.gz ONNNMFRFTUNZQM-UKRRQHHQSA-N 1 2 444.579 -0.016 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000561205288 1072269336 /nfs/dbraw/zinc/26/93/36/1072269336.db2.gz ONNNMFRFTUNZQM-ZFWWWQNUSA-N 1 2 444.579 -0.016 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000561269860 1072271226 /nfs/dbraw/zinc/27/12/26/1072271226.db2.gz BAVMYEVHGHCETM-GOSISDBHSA-N 1 2 444.598 -0.124 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000561269860 1072271218 /nfs/dbraw/zinc/27/12/18/1072271218.db2.gz BAVMYEVHGHCETM-GOSISDBHSA-N 1 2 444.598 -0.124 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000561269861 1072271207 /nfs/dbraw/zinc/27/12/07/1072271207.db2.gz BAVMYEVHGHCETM-SFHVURJKSA-N 1 2 444.598 -0.124 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000561269861 1072271200 /nfs/dbraw/zinc/27/12/00/1072271200.db2.gz BAVMYEVHGHCETM-SFHVURJKSA-N 1 2 444.598 -0.124 20 0 IBADLO O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000561454907 1072279347 /nfs/dbraw/zinc/27/93/47/1072279347.db2.gz AUOSRFJCCZYXGM-HZPDHXFCSA-N 1 2 428.555 -0.760 20 0 IBADLO O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000561454908 1072279823 /nfs/dbraw/zinc/27/98/23/1072279823.db2.gz AUOSRFJCCZYXGM-JKSUJKDBSA-N 1 2 428.555 -0.760 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000561459076 1072279923 /nfs/dbraw/zinc/27/99/23/1072279923.db2.gz OSGVFUFBBDBXCA-UHFFFAOYSA-N 1 2 436.600 -0.950 20 0 IBADLO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561491476 1072281978 /nfs/dbraw/zinc/28/19/78/1072281978.db2.gz QPNSCRSDOIMLAQ-INIZCTEOSA-N 1 2 425.559 -0.288 20 0 IBADLO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561491485 1072282095 /nfs/dbraw/zinc/28/20/95/1072282095.db2.gz QPNSCRSDOIMLAQ-MRXNPFEDSA-N 1 2 425.559 -0.288 20 0 IBADLO CCS(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000561494240 1072281932 /nfs/dbraw/zinc/28/19/32/1072281932.db2.gz RRKPOCDPTIDQLO-MRXNPFEDSA-N 1 2 425.559 -0.336 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[nH+]cn1 ZINC000561515630 1072282531 /nfs/dbraw/zinc/28/25/31/1072282531.db2.gz GTPJHGMDJSFPPC-BBWFWOEESA-N 1 2 442.524 -0.429 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)nc[nH+]1 ZINC000561515630 1072282521 /nfs/dbraw/zinc/28/25/21/1072282521.db2.gz GTPJHGMDJSFPPC-BBWFWOEESA-N 1 2 442.524 -0.429 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[nH+]cn1 ZINC000561515633 1072282719 /nfs/dbraw/zinc/28/27/19/1072282719.db2.gz GTPJHGMDJSFPPC-ULQDDVLXSA-N 1 2 442.524 -0.429 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)nc[nH+]1 ZINC000561515633 1072282711 /nfs/dbraw/zinc/28/27/11/1072282711.db2.gz GTPJHGMDJSFPPC-ULQDDVLXSA-N 1 2 442.524 -0.429 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)[nH+]cn1 ZINC000561516428 1072282751 /nfs/dbraw/zinc/28/27/51/1072282751.db2.gz SSGYGUYUYRKWHW-CABCVRRESA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)nc[nH+]1 ZINC000561516428 1072282746 /nfs/dbraw/zinc/28/27/46/1072282746.db2.gz SSGYGUYUYRKWHW-CABCVRRESA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)[nH+]cn1 ZINC000561516429 1072282642 /nfs/dbraw/zinc/28/26/42/1072282642.db2.gz SSGYGUYUYRKWHW-GJZGRUSLSA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)nc[nH+]1 ZINC000561516429 1072282634 /nfs/dbraw/zinc/28/26/34/1072282634.db2.gz SSGYGUYUYRKWHW-GJZGRUSLSA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)[nH+]cn1 ZINC000561516430 1072282702 /nfs/dbraw/zinc/28/27/02/1072282702.db2.gz SSGYGUYUYRKWHW-HUUCEWRRSA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)nc[nH+]1 ZINC000561516430 1072282697 /nfs/dbraw/zinc/28/26/97/1072282697.db2.gz SSGYGUYUYRKWHW-HUUCEWRRSA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)[nH+]cn1 ZINC000561516431 1072282168 /nfs/dbraw/zinc/28/21/68/1072282168.db2.gz SSGYGUYUYRKWHW-LSDHHAIUSA-N 1 2 427.513 -0.118 20 0 IBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)nc[nH+]1 ZINC000561516431 1072282159 /nfs/dbraw/zinc/28/21/59/1072282159.db2.gz SSGYGUYUYRKWHW-LSDHHAIUSA-N 1 2 427.513 -0.118 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000561527858 1072283201 /nfs/dbraw/zinc/28/32/01/1072283201.db2.gz WCNCHAGKIGAJOG-UHFFFAOYSA-N 1 2 437.522 0.080 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000561620254 1072286621 /nfs/dbraw/zinc/28/66/21/1072286621.db2.gz LFKWXYBJRZOGAR-HKUYNNGSSA-N 1 2 445.520 -0.271 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000561620257 1072286772 /nfs/dbraw/zinc/28/67/72/1072286772.db2.gz LFKWXYBJRZOGAR-IEBWSBKVSA-N 1 2 445.520 -0.271 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000561620260 1072286738 /nfs/dbraw/zinc/28/67/38/1072286738.db2.gz LFKWXYBJRZOGAR-MJGOQNOKSA-N 1 2 445.520 -0.271 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000561620262 1071364242 /nfs/dbraw/zinc/36/42/42/1071364242.db2.gz LFKWXYBJRZOGAR-PKOBYXMFSA-N 1 2 445.520 -0.271 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000561716318 1072290439 /nfs/dbraw/zinc/29/04/39/1072290439.db2.gz MXCSVMVDBZVSRI-MOPGFXCFSA-N 1 2 435.521 -0.070 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000561716320 1072290536 /nfs/dbraw/zinc/29/05/36/1072290536.db2.gz MXCSVMVDBZVSRI-OALUTQOASA-N 1 2 435.521 -0.070 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC000561716321 1072290990 /nfs/dbraw/zinc/29/09/90/1072290990.db2.gz MXCSVMVDBZVSRI-RBUKOAKNSA-N 1 2 435.521 -0.070 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC000561716324 1072290878 /nfs/dbraw/zinc/29/08/78/1072290878.db2.gz MXCSVMVDBZVSRI-RTBURBONSA-N 1 2 435.521 -0.070 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000561743209 1072291925 /nfs/dbraw/zinc/29/19/25/1072291925.db2.gz MQPGAGXIKOELQQ-HNNXBMFYSA-N 1 2 446.346 -0.307 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000561743213 1072292023 /nfs/dbraw/zinc/29/20/23/1072292023.db2.gz MQPGAGXIKOELQQ-OAHLLOKOSA-N 1 2 446.346 -0.307 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000561760302 1072292782 /nfs/dbraw/zinc/29/27/82/1072292782.db2.gz KRLCXRAIFAUFKD-UHFFFAOYSA-N 1 2 425.574 -0.528 20 0 IBADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000561804253 1072294229 /nfs/dbraw/zinc/29/42/29/1072294229.db2.gz OJSWCHRUNYKGLF-DLBZAZTESA-N 1 2 441.550 -0.493 20 0 IBADLO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000561804254 1072294114 /nfs/dbraw/zinc/29/41/14/1072294114.db2.gz OJSWCHRUNYKGLF-IAGOWNOFSA-N 1 2 441.550 -0.493 20 0 IBADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000561804256 1072294154 /nfs/dbraw/zinc/29/41/54/1072294154.db2.gz OJSWCHRUNYKGLF-IRXDYDNUSA-N 1 2 441.550 -0.493 20 0 IBADLO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000561804258 1072294293 /nfs/dbraw/zinc/29/42/93/1072294293.db2.gz OJSWCHRUNYKGLF-SJORKVTESA-N 1 2 441.550 -0.493 20 0 IBADLO Cn1cc(N2CC[C@H](NC(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)cn1 ZINC000561830549 1072295383 /nfs/dbraw/zinc/29/53/83/1072295383.db2.gz REWJWHQAYMTBBK-KRWDZBQOSA-N 1 2 440.508 -0.042 20 0 IBADLO Cn1cc(N2CC[C@@H](NC(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)cn1 ZINC000561830551 1072295796 /nfs/dbraw/zinc/29/57/96/1072295796.db2.gz REWJWHQAYMTBBK-QGZVFWFLSA-N 1 2 440.508 -0.042 20 0 IBADLO CC(C)[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000561914710 1072298833 /nfs/dbraw/zinc/29/88/33/1072298833.db2.gz UGFHXYVOQIIBOV-HNNXBMFYSA-N 1 2 428.563 -0.668 20 0 IBADLO CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000561914711 1072298854 /nfs/dbraw/zinc/29/88/54/1072298854.db2.gz UGFHXYVOQIIBOV-OAHLLOKOSA-N 1 2 428.563 -0.668 20 0 IBADLO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000561956098 1072300522 /nfs/dbraw/zinc/30/05/22/1072300522.db2.gz DXLDCMWLVKUXIQ-UHFFFAOYSA-N 1 2 441.496 -0.367 20 0 IBADLO C[C@]1(C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)NC(=O)NC1=O ZINC000562026385 1072304316 /nfs/dbraw/zinc/30/43/16/1072304316.db2.gz OKUZFZZZWXHECO-CKJXQJPGSA-N 1 2 435.525 -0.417 20 0 IBADLO C[C@]1(C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)NC(=O)NC1=O ZINC000562026386 1072304288 /nfs/dbraw/zinc/30/42/88/1072304288.db2.gz OKUZFZZZWXHECO-GCKMJXCFSA-N 1 2 435.525 -0.417 20 0 IBADLO C[C@]1(C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)NC(=O)NC1=O ZINC000562026387 1072304181 /nfs/dbraw/zinc/30/41/81/1072304181.db2.gz OKUZFZZZWXHECO-VWKPWSFCSA-N 1 2 435.525 -0.417 20 0 IBADLO C[C@]1(C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)NC(=O)NC1=O ZINC000562026388 1072304327 /nfs/dbraw/zinc/30/43/27/1072304327.db2.gz OKUZFZZZWXHECO-WHSLLNHNSA-N 1 2 435.525 -0.417 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2=O)n1 ZINC000562031497 1072304269 /nfs/dbraw/zinc/30/42/69/1072304269.db2.gz ZODIKSFVRHZRQJ-IKGGRYGDSA-N 1 2 432.525 -0.209 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)C2=O)n1 ZINC000562031498 1072304259 /nfs/dbraw/zinc/30/42/59/1072304259.db2.gz ZODIKSFVRHZRQJ-IXDOHACOSA-N 1 2 432.525 -0.209 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2=O)n1 ZINC000562031499 1072304135 /nfs/dbraw/zinc/30/41/35/1072304135.db2.gz ZODIKSFVRHZRQJ-ULQDDVLXSA-N 1 2 432.525 -0.209 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)C2=O)n1 ZINC000562031500 1072304280 /nfs/dbraw/zinc/30/42/80/1072304280.db2.gz ZODIKSFVRHZRQJ-YESZJQIVSA-N 1 2 432.525 -0.209 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)c1=O ZINC000562032404 1072304712 /nfs/dbraw/zinc/30/47/12/1072304712.db2.gz DHWIGIZXNACAGD-DLBZAZTESA-N 1 2 432.525 -0.812 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)c1=O ZINC000562032458 1072304677 /nfs/dbraw/zinc/30/46/77/1072304677.db2.gz DHWIGIZXNACAGD-IAGOWNOFSA-N 1 2 432.525 -0.812 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)c1=O ZINC000562032460 1072304667 /nfs/dbraw/zinc/30/46/67/1072304667.db2.gz DHWIGIZXNACAGD-IRXDYDNUSA-N 1 2 432.525 -0.812 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)c1=O ZINC000562032462 1072304685 /nfs/dbraw/zinc/30/46/85/1072304685.db2.gz DHWIGIZXNACAGD-SJORKVTESA-N 1 2 432.525 -0.812 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562043518 1072304745 /nfs/dbraw/zinc/30/47/45/1072304745.db2.gz NTSGCAUIZQUASJ-KRWDZBQOSA-N 1 2 448.524 -0.987 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562043518 1072304738 /nfs/dbraw/zinc/30/47/38/1072304738.db2.gz NTSGCAUIZQUASJ-KRWDZBQOSA-N 1 2 448.524 -0.987 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562043519 1072304817 /nfs/dbraw/zinc/30/48/17/1072304817.db2.gz NTSGCAUIZQUASJ-QGZVFWFLSA-N 1 2 448.524 -0.987 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562043519 1072304807 /nfs/dbraw/zinc/30/48/07/1072304807.db2.gz NTSGCAUIZQUASJ-QGZVFWFLSA-N 1 2 448.524 -0.987 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000562093461 1072306278 /nfs/dbraw/zinc/30/62/78/1072306278.db2.gz TXROKCINHSMMBW-AWEZNQCLSA-N 1 2 449.474 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000562093461 1072306271 /nfs/dbraw/zinc/30/62/71/1072306271.db2.gz TXROKCINHSMMBW-AWEZNQCLSA-N 1 2 449.474 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000562093464 1072306369 /nfs/dbraw/zinc/30/63/69/1072306369.db2.gz TXROKCINHSMMBW-CQSZACIVSA-N 1 2 449.474 -0.332 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000562093464 1072306360 /nfs/dbraw/zinc/30/63/60/1072306360.db2.gz TXROKCINHSMMBW-CQSZACIVSA-N 1 2 449.474 -0.332 20 0 IBADLO O=C(CNS(=O)(=O)c1cccnc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562104667 1072306824 /nfs/dbraw/zinc/30/68/24/1072306824.db2.gz XUEPCIPJZGUABI-UHFFFAOYSA-N 1 2 432.506 -0.390 20 0 IBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000562112590 1072306984 /nfs/dbraw/zinc/30/69/84/1072306984.db2.gz XEVCCKRLMDOIIX-UHFFFAOYSA-N 1 2 441.554 -0.473 20 0 IBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000562112590 1072306974 /nfs/dbraw/zinc/30/69/74/1072306974.db2.gz XEVCCKRLMDOIIX-UHFFFAOYSA-N 1 2 441.554 -0.473 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1 ZINC000562126483 1072307849 /nfs/dbraw/zinc/30/78/49/1072307849.db2.gz HAULGPRYIWFSGK-UHFFFAOYSA-N 1 2 436.432 -0.019 20 0 IBADLO O=C(CNS(=O)(=O)c1cccnc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000562149231 1072309318 /nfs/dbraw/zinc/30/93/18/1072309318.db2.gz AINCMZPFGSBTLH-UHFFFAOYSA-N 1 2 447.521 -0.665 20 0 IBADLO O=C(CNS(=O)(=O)c1cccnc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000562149231 1072309317 /nfs/dbraw/zinc/30/93/17/1072309317.db2.gz AINCMZPFGSBTLH-UHFFFAOYSA-N 1 2 447.521 -0.665 20 0 IBADLO CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCC1 ZINC000562151828 1072309352 /nfs/dbraw/zinc/30/93/52/1072309352.db2.gz AMMRQWOEAFIWOM-UHFFFAOYSA-N 1 2 442.524 -0.223 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000562160316 1072310350 /nfs/dbraw/zinc/31/03/50/1072310350.db2.gz ILSIGJCQTUSRQI-UHFFFAOYSA-N 1 2 432.462 -0.288 20 0 IBADLO O=C(NCC[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161905 1072310393 /nfs/dbraw/zinc/31/03/93/1072310393.db2.gz HFOPHADFUNIPOF-DLBZAZTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161905 1072310385 /nfs/dbraw/zinc/31/03/85/1072310385.db2.gz HFOPHADFUNIPOF-DLBZAZTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161906 1072310484 /nfs/dbraw/zinc/31/04/84/1072310484.db2.gz HFOPHADFUNIPOF-IAGOWNOFSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161906 1072310483 /nfs/dbraw/zinc/31/04/83/1072310483.db2.gz HFOPHADFUNIPOF-IAGOWNOFSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@H]1CCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161907 1072310434 /nfs/dbraw/zinc/31/04/34/1072310434.db2.gz HFOPHADFUNIPOF-IRXDYDNUSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@H]1CCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161907 1072310431 /nfs/dbraw/zinc/31/04/31/1072310431.db2.gz HFOPHADFUNIPOF-IRXDYDNUSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@@H]1CCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161908 1072310472 /nfs/dbraw/zinc/31/04/72/1072310472.db2.gz HFOPHADFUNIPOF-SJORKVTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC[C@@H]1CCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161908 1072310470 /nfs/dbraw/zinc/31/04/70/1072310470.db2.gz HFOPHADFUNIPOF-SJORKVTESA-N 1 2 432.525 -0.059 20 0 IBADLO CN(Cc1cnccn1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161927 1072310452 /nfs/dbraw/zinc/31/04/52/1072310452.db2.gz IAOFNOPPINWZMT-INIZCTEOSA-N 1 2 440.508 -0.153 20 0 IBADLO CN(Cc1cnccn1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161927 1072310450 /nfs/dbraw/zinc/31/04/50/1072310450.db2.gz IAOFNOPPINWZMT-INIZCTEOSA-N 1 2 440.508 -0.153 20 0 IBADLO CN(Cc1cnccn1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562161928 1072310466 /nfs/dbraw/zinc/31/04/66/1072310466.db2.gz IAOFNOPPINWZMT-MRXNPFEDSA-N 1 2 440.508 -0.153 20 0 IBADLO CN(Cc1cnccn1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562161928 1072310464 /nfs/dbraw/zinc/31/04/64/1072310464.db2.gz IAOFNOPPINWZMT-MRXNPFEDSA-N 1 2 440.508 -0.153 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1C ZINC000562162174 1072310816 /nfs/dbraw/zinc/31/08/16/1072310816.db2.gz QGRSLQFQPRGBRD-CVEARBPZSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1C ZINC000562162174 1072310808 /nfs/dbraw/zinc/31/08/08/1072310808.db2.gz QGRSLQFQPRGBRD-CVEARBPZSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1C ZINC000562162175 1072310784 /nfs/dbraw/zinc/31/07/84/1072310784.db2.gz QGRSLQFQPRGBRD-HOTGVXAUSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1C ZINC000562162175 1072310773 /nfs/dbraw/zinc/31/07/73/1072310773.db2.gz QGRSLQFQPRGBRD-HOTGVXAUSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1C ZINC000562162176 1072310965 /nfs/dbraw/zinc/31/09/65/1072310965.db2.gz QGRSLQFQPRGBRD-HZPDHXFCSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1C ZINC000562162176 1072310959 /nfs/dbraw/zinc/31/09/59/1072310959.db2.gz QGRSLQFQPRGBRD-HZPDHXFCSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1C ZINC000562162177 1072310654 /nfs/dbraw/zinc/31/06/54/1072310654.db2.gz QGRSLQFQPRGBRD-JKSUJKDBSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1C ZINC000562162177 1072310638 /nfs/dbraw/zinc/31/06/38/1072310638.db2.gz QGRSLQFQPRGBRD-JKSUJKDBSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162461 1072311039 /nfs/dbraw/zinc/31/10/39/1072311039.db2.gz WKZDAHWUZPPZSC-HRAATJIYSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162461 1072311033 /nfs/dbraw/zinc/31/10/33/1072311033.db2.gz WKZDAHWUZPPZSC-HRAATJIYSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162464 1072311126 /nfs/dbraw/zinc/31/11/26/1072311126.db2.gz WKZDAHWUZPPZSC-IERDGZPVSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162464 1072311121 /nfs/dbraw/zinc/31/11/21/1072311121.db2.gz WKZDAHWUZPPZSC-IERDGZPVSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162466 1072310992 /nfs/dbraw/zinc/31/09/92/1072310992.db2.gz WKZDAHWUZPPZSC-IIBYNOLFSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162466 1072310989 /nfs/dbraw/zinc/31/09/89/1072310989.db2.gz WKZDAHWUZPPZSC-IIBYNOLFSA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162467 1072311087 /nfs/dbraw/zinc/31/10/87/1072311087.db2.gz WKZDAHWUZPPZSC-KKSFZXQISA-N 1 2 432.525 -0.228 20 0 IBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162467 1072311080 /nfs/dbraw/zinc/31/10/80/1072311080.db2.gz WKZDAHWUZPPZSC-KKSFZXQISA-N 1 2 432.525 -0.228 20 0 IBADLO CN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162589 1072310743 /nfs/dbraw/zinc/31/07/43/1072310743.db2.gz YVELXTQMDPLORH-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162589 1072310727 /nfs/dbraw/zinc/31/07/27/1072310727.db2.gz YVELXTQMDPLORH-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162590 1072310897 /nfs/dbraw/zinc/31/08/97/1072310897.db2.gz YVELXTQMDPLORH-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162590 1072310889 /nfs/dbraw/zinc/31/08/89/1072310889.db2.gz YVELXTQMDPLORH-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162591 1072310978 /nfs/dbraw/zinc/31/09/78/1072310978.db2.gz YVELXTQMDPLORH-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162591 1072310972 /nfs/dbraw/zinc/31/09/72/1072310972.db2.gz YVELXTQMDPLORH-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562162592 1072310919 /nfs/dbraw/zinc/31/09/19/1072310919.db2.gz YVELXTQMDPLORH-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO CN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562162592 1072310913 /nfs/dbraw/zinc/31/09/13/1072310913.db2.gz YVELXTQMDPLORH-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000562166370 1072311709 /nfs/dbraw/zinc/31/17/09/1072311709.db2.gz BUWBVBPZISYOBF-BSDSXHPESA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000562166370 1072311695 /nfs/dbraw/zinc/31/16/95/1072311695.db2.gz BUWBVBPZISYOBF-BSDSXHPESA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000562166375 1072311622 /nfs/dbraw/zinc/31/16/22/1072311622.db2.gz BUWBVBPZISYOBF-MHORFTMASA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000562166375 1072311617 /nfs/dbraw/zinc/31/16/17/1072311617.db2.gz BUWBVBPZISYOBF-MHORFTMASA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000562166377 1072311765 /nfs/dbraw/zinc/31/17/65/1072311765.db2.gz BUWBVBPZISYOBF-MLHJIOFPSA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000562166377 1072311750 /nfs/dbraw/zinc/31/17/50/1072311750.db2.gz BUWBVBPZISYOBF-MLHJIOFPSA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000562166380 1072311530 /nfs/dbraw/zinc/31/15/30/1072311530.db2.gz BUWBVBPZISYOBF-XWTMOSNGSA-N 1 2 444.536 -0.373 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000562166380 1072311523 /nfs/dbraw/zinc/31/15/23/1072311523.db2.gz BUWBVBPZISYOBF-XWTMOSNGSA-N 1 2 444.536 -0.373 20 0 IBADLO CN(C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1)S(C)(=O)=O ZINC000562211979 1072312439 /nfs/dbraw/zinc/31/24/39/1072312439.db2.gz OOOHBGTWTIRTLC-INIZCTEOSA-N 1 2 428.559 0.351 20 0 IBADLO CN(C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1)S(C)(=O)=O ZINC000562211984 1072312620 /nfs/dbraw/zinc/31/26/20/1072312620.db2.gz OOOHBGTWTIRTLC-MRXNPFEDSA-N 1 2 428.559 0.351 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000562212609 1072312586 /nfs/dbraw/zinc/31/25/86/1072312586.db2.gz UZDVGUVUZVSTIV-OAHLLOKOSA-N 1 2 426.543 0.293 20 0 IBADLO CNS(=O)(=O)C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000562213349 1072312564 /nfs/dbraw/zinc/31/25/64/1072312564.db2.gz RFOUGYKCEXTPIX-UHFFFAOYSA-N 1 2 438.554 -0.157 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000562221925 1072312606 /nfs/dbraw/zinc/31/26/06/1072312606.db2.gz REPGTVNFULVXAK-OAHLLOKOSA-N 1 2 429.547 -0.392 20 0 IBADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000562248621 1072313152 /nfs/dbraw/zinc/31/31/52/1072313152.db2.gz DOBJZMSKDPMSBE-CYBMUJFWSA-N 1 2 447.496 -0.317 20 0 IBADLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000562248621 1072313146 /nfs/dbraw/zinc/31/31/46/1072313146.db2.gz DOBJZMSKDPMSBE-CYBMUJFWSA-N 1 2 447.496 -0.317 20 0 IBADLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000562248622 1072313186 /nfs/dbraw/zinc/31/31/86/1072313186.db2.gz DOBJZMSKDPMSBE-ZDUSSCGKSA-N 1 2 447.496 -0.317 20 0 IBADLO COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)C2)nn1 ZINC000562248622 1072313182 /nfs/dbraw/zinc/31/31/82/1072313182.db2.gz DOBJZMSKDPMSBE-ZDUSSCGKSA-N 1 2 447.496 -0.317 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000562253235 1072313125 /nfs/dbraw/zinc/31/31/25/1072313125.db2.gz CHCQTNXERJKQBN-UHFFFAOYSA-N 1 2 427.531 -0.964 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000562253235 1072313119 /nfs/dbraw/zinc/31/31/19/1072313119.db2.gz CHCQTNXERJKQBN-UHFFFAOYSA-N 1 2 427.531 -0.964 20 0 IBADLO O=C1[C@@H]2CSCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562391835 1072314192 /nfs/dbraw/zinc/31/41/92/1072314192.db2.gz XZLRPUWZXWQECM-AWEZNQCLSA-N 1 2 425.536 -0.087 20 0 IBADLO O=C1[C@H]2CSCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562391840 1072314003 /nfs/dbraw/zinc/31/40/03/1072314003.db2.gz XZLRPUWZXWQECM-CQSZACIVSA-N 1 2 425.536 -0.087 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000562457962 1072314648 /nfs/dbraw/zinc/31/46/48/1072314648.db2.gz MESCHIOQARQPNT-KRWDZBQOSA-N 1 2 441.529 -0.468 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000562457962 1072314635 /nfs/dbraw/zinc/31/46/35/1072314635.db2.gz MESCHIOQARQPNT-KRWDZBQOSA-N 1 2 441.529 -0.468 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000562457963 1072314692 /nfs/dbraw/zinc/31/46/92/1072314692.db2.gz MESCHIOQARQPNT-QGZVFWFLSA-N 1 2 441.529 -0.468 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000562457963 1072314682 /nfs/dbraw/zinc/31/46/82/1072314682.db2.gz MESCHIOQARQPNT-QGZVFWFLSA-N 1 2 441.529 -0.468 20 0 IBADLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000562487021 1073312944 /nfs/dbraw/zinc/31/29/44/1073312944.db2.gz RKRPIFQBEPIYFS-KRWDZBQOSA-N 1 2 434.541 0.165 20 0 IBADLO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000562487022 1073312938 /nfs/dbraw/zinc/31/29/38/1073312938.db2.gz RKRPIFQBEPIYFS-QGZVFWFLSA-N 1 2 434.541 0.165 20 0 IBADLO Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)n(C)n1 ZINC000562495641 1072315382 /nfs/dbraw/zinc/31/53/82/1072315382.db2.gz DZSDIHXAWURGQC-KRWDZBQOSA-N 1 2 444.540 -0.019 20 0 IBADLO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)n(C)n1 ZINC000562495651 1073321196 /nfs/dbraw/zinc/32/11/96/1073321196.db2.gz DZSDIHXAWURGQC-QGZVFWFLSA-N 1 2 444.540 -0.019 20 0 IBADLO COc1cc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000562599283 1072315923 /nfs/dbraw/zinc/31/59/23/1072315923.db2.gz CWXARUTUVHOXQS-UHFFFAOYSA-N 1 2 442.538 -0.412 20 0 IBADLO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562767893 1072318971 /nfs/dbraw/zinc/31/89/71/1072318971.db2.gz SESOWXYXPJQURP-DLBZAZTESA-N 1 2 433.509 -0.765 20 0 IBADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562767894 1072318665 /nfs/dbraw/zinc/31/86/65/1072318665.db2.gz SESOWXYXPJQURP-IAGOWNOFSA-N 1 2 433.509 -0.765 20 0 IBADLO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562767895 1072318918 /nfs/dbraw/zinc/31/89/18/1072318918.db2.gz SESOWXYXPJQURP-IRXDYDNUSA-N 1 2 433.509 -0.765 20 0 IBADLO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562767896 1072318929 /nfs/dbraw/zinc/31/89/29/1072318929.db2.gz SESOWXYXPJQURP-SJORKVTESA-N 1 2 433.509 -0.765 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+]1CCN(C)CC1 ZINC000562778253 1072319485 /nfs/dbraw/zinc/31/94/85/1072319485.db2.gz KKQJAKXGMXCWHI-GHTZIAJQSA-N 1 2 441.642 -0.301 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[NH+]1CCN(C)CC1 ZINC000562778254 1072319329 /nfs/dbraw/zinc/31/93/29/1072319329.db2.gz KKQJAKXGMXCWHI-NQIIRXRSSA-N 1 2 441.642 -0.301 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[NH+]1CCN(C)CC1 ZINC000562778255 1072319384 /nfs/dbraw/zinc/31/93/84/1072319384.db2.gz KKQJAKXGMXCWHI-RXVVDRJESA-N 1 2 441.642 -0.301 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+]1CCN(C)CC1 ZINC000562778256 1072319514 /nfs/dbraw/zinc/31/95/14/1072319514.db2.gz KKQJAKXGMXCWHI-WIYYLYMNSA-N 1 2 441.642 -0.301 20 0 IBADLO CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000562841819 1072321376 /nfs/dbraw/zinc/32/13/76/1072321376.db2.gz SLTDCIUKFMZWSW-GOSISDBHSA-N 1 2 437.566 -0.135 20 0 IBADLO CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000562841820 1072321347 /nfs/dbraw/zinc/32/13/47/1072321347.db2.gz SLTDCIUKFMZWSW-SFHVURJKSA-N 1 2 437.566 -0.135 20 0 IBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562862340 1072323530 /nfs/dbraw/zinc/32/35/30/1072323530.db2.gz NVOLNLWDJGCYRA-HNNXBMFYSA-N 1 2 439.538 -0.872 20 0 IBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562862341 1072323584 /nfs/dbraw/zinc/32/35/84/1072323584.db2.gz NVOLNLWDJGCYRA-OAHLLOKOSA-N 1 2 439.538 -0.872 20 0 IBADLO COCCOC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000562862489 1072323666 /nfs/dbraw/zinc/32/36/66/1072323666.db2.gz OUMINUZQSJWSGN-UHFFFAOYSA-N 1 2 447.536 -0.110 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000562886059 1072324708 /nfs/dbraw/zinc/32/47/08/1072324708.db2.gz JGTRLVKHMDLYAR-DLBZAZTESA-N 1 2 442.582 -0.513 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000562886060 1072324439 /nfs/dbraw/zinc/32/44/39/1072324439.db2.gz JGTRLVKHMDLYAR-IAGOWNOFSA-N 1 2 442.582 -0.513 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000562886061 1072324672 /nfs/dbraw/zinc/32/46/72/1072324672.db2.gz JGTRLVKHMDLYAR-IRXDYDNUSA-N 1 2 442.582 -0.513 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000562886062 1072324592 /nfs/dbraw/zinc/32/45/92/1072324592.db2.gz JGTRLVKHMDLYAR-SJORKVTESA-N 1 2 442.582 -0.513 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000563239338 1072325784 /nfs/dbraw/zinc/32/57/84/1072325784.db2.gz NHVFXXIBVBLWMX-UHFFFAOYSA-N 1 2 430.513 -0.761 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](CCNC(C)=O)C2CCSCC2)c(=O)[nH]c1=O ZINC000563239571 1072325716 /nfs/dbraw/zinc/32/57/16/1072325716.db2.gz RWDUXMAEVSCSLB-UHFFFAOYSA-N 1 2 427.527 -0.306 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](CCNC(C)=O)C2CCSCC2)c(=O)[nH]c1=O ZINC000563239571 1072325712 /nfs/dbraw/zinc/32/57/12/1072325712.db2.gz RWDUXMAEVSCSLB-UHFFFAOYSA-N 1 2 427.527 -0.306 20 0 IBADLO CC(C)CSCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000563254655 1072326162 /nfs/dbraw/zinc/32/61/62/1072326162.db2.gz BTRITTYRPUHHHD-UHFFFAOYSA-N 1 2 449.643 -0.482 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000563261187 1072326280 /nfs/dbraw/zinc/32/62/80/1072326280.db2.gz BFTVPVWTBGDXFK-LMMKCTJWSA-N 1 2 432.525 -0.575 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000563261187 1072326268 /nfs/dbraw/zinc/32/62/68/1072326268.db2.gz BFTVPVWTBGDXFK-LMMKCTJWSA-N 1 2 432.525 -0.575 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000563261190 1072326342 /nfs/dbraw/zinc/32/63/42/1072326342.db2.gz BFTVPVWTBGDXFK-SCTDSRPQSA-N 1 2 432.525 -0.575 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000563261190 1072326332 /nfs/dbraw/zinc/32/63/32/1072326332.db2.gz BFTVPVWTBGDXFK-SCTDSRPQSA-N 1 2 432.525 -0.575 20 0 IBADLO COCCOCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000563300284 1072326692 /nfs/dbraw/zinc/32/66/92/1072326692.db2.gz IWRRQVHNWURIOD-UHFFFAOYSA-N 1 2 436.513 -0.869 20 0 IBADLO COCCOCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000563300284 1072326685 /nfs/dbraw/zinc/32/66/85/1072326685.db2.gz IWRRQVHNWURIOD-UHFFFAOYSA-N 1 2 436.513 -0.869 20 0 IBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000563330383 1072327701 /nfs/dbraw/zinc/32/77/01/1072327701.db2.gz BOOQMCGUGQDRIG-UHFFFAOYSA-N 1 2 446.533 -0.194 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000563330749 1072327762 /nfs/dbraw/zinc/32/77/62/1072327762.db2.gz GXQOKPIXFJLMJV-KRWDZBQOSA-N 1 2 443.512 -0.625 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000563330749 1072327757 /nfs/dbraw/zinc/32/77/57/1072327757.db2.gz GXQOKPIXFJLMJV-KRWDZBQOSA-N 1 2 443.512 -0.625 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000563330750 1072327901 /nfs/dbraw/zinc/32/79/01/1072327901.db2.gz GXQOKPIXFJLMJV-QGZVFWFLSA-N 1 2 443.512 -0.625 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000563330750 1072327889 /nfs/dbraw/zinc/32/78/89/1072327889.db2.gz GXQOKPIXFJLMJV-QGZVFWFLSA-N 1 2 443.512 -0.625 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)[C@@H](C)C1 ZINC000563472908 1072328736 /nfs/dbraw/zinc/32/87/36/1072328736.db2.gz CIZHAGLXPQVSLZ-DOTOQJQBSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)[C@@H](C)C1 ZINC000563472908 1072328732 /nfs/dbraw/zinc/32/87/32/1072328732.db2.gz CIZHAGLXPQVSLZ-DOTOQJQBSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)[C@H](C)C1 ZINC000563472913 1072328770 /nfs/dbraw/zinc/32/87/70/1072328770.db2.gz CIZHAGLXPQVSLZ-NVXWUHKLSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)[C@H](C)C1 ZINC000563472913 1072328766 /nfs/dbraw/zinc/32/87/66/1072328766.db2.gz CIZHAGLXPQVSLZ-NVXWUHKLSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)[C@@H](C)C1 ZINC000563472915 1072328898 /nfs/dbraw/zinc/32/88/98/1072328898.db2.gz CIZHAGLXPQVSLZ-RDJZCZTQSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)[C@@H](C)C1 ZINC000563472915 1072328886 /nfs/dbraw/zinc/32/88/86/1072328886.db2.gz CIZHAGLXPQVSLZ-RDJZCZTQSA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)[C@H](C)C1 ZINC000563472916 1072328830 /nfs/dbraw/zinc/32/88/30/1072328830.db2.gz CIZHAGLXPQVSLZ-WBVHZDCISA-N 1 2 431.493 -0.211 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)[C@H](C)C1 ZINC000563472916 1072328818 /nfs/dbraw/zinc/32/88/18/1072328818.db2.gz CIZHAGLXPQVSLZ-WBVHZDCISA-N 1 2 431.493 -0.211 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000563473767 1073318786 /nfs/dbraw/zinc/31/87/86/1073318786.db2.gz XFYUIOAAMDDTHV-UHFFFAOYSA-N 1 2 449.556 0.188 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563505249 1072329970 /nfs/dbraw/zinc/32/99/70/1072329970.db2.gz PKMYAOFCNPKEQD-PMACEKPBSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563505249 1072329962 /nfs/dbraw/zinc/32/99/62/1072329962.db2.gz PKMYAOFCNPKEQD-PMACEKPBSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563505250 1072330017 /nfs/dbraw/zinc/33/00/17/1072330017.db2.gz PKMYAOFCNPKEQD-UXHICEINSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563505250 1072330013 /nfs/dbraw/zinc/33/00/13/1072330013.db2.gz PKMYAOFCNPKEQD-UXHICEINSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563505251 1072330070 /nfs/dbraw/zinc/33/00/70/1072330070.db2.gz PKMYAOFCNPKEQD-VQTJNVASSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563505251 1072330066 /nfs/dbraw/zinc/33/00/66/1072330066.db2.gz PKMYAOFCNPKEQD-VQTJNVASSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563505252 1072330087 /nfs/dbraw/zinc/33/00/87/1072330087.db2.gz PKMYAOFCNPKEQD-WOJBJXKFSA-N 1 2 434.537 -0.845 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563505252 1072330084 /nfs/dbraw/zinc/33/00/84/1072330084.db2.gz PKMYAOFCNPKEQD-WOJBJXKFSA-N 1 2 434.537 -0.845 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563505404 1072329441 /nfs/dbraw/zinc/32/94/41/1072329441.db2.gz DIRPRMGEVVHUJM-HBMCJLEFSA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563505404 1072329433 /nfs/dbraw/zinc/32/94/33/1072329433.db2.gz DIRPRMGEVVHUJM-HBMCJLEFSA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563505408 1072329265 /nfs/dbraw/zinc/32/92/65/1072329265.db2.gz DIRPRMGEVVHUJM-NJDAHSKKSA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563505408 1072329257 /nfs/dbraw/zinc/32/92/57/1072329257.db2.gz DIRPRMGEVVHUJM-NJDAHSKKSA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563505409 1072329201 /nfs/dbraw/zinc/32/92/01/1072329201.db2.gz DIRPRMGEVVHUJM-NJYVYQBISA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563505409 1072329191 /nfs/dbraw/zinc/32/91/91/1072329191.db2.gz DIRPRMGEVVHUJM-NJYVYQBISA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563505410 1072329229 /nfs/dbraw/zinc/32/92/29/1072329229.db2.gz DIRPRMGEVVHUJM-PWRODBHTSA-N 1 2 449.548 -0.124 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563505410 1072329219 /nfs/dbraw/zinc/32/92/19/1072329219.db2.gz DIRPRMGEVVHUJM-PWRODBHTSA-N 1 2 449.548 -0.124 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000563520851 1072330738 /nfs/dbraw/zinc/33/07/38/1072330738.db2.gz ZKYHZFUTDPPYQY-UHFFFAOYSA-N 1 2 428.559 -0.100 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000563664295 1072332065 /nfs/dbraw/zinc/33/20/65/1072332065.db2.gz YRUGZXWGAVQJIS-HNNXBMFYSA-N 1 2 446.570 -0.597 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000563664295 1072332052 /nfs/dbraw/zinc/33/20/52/1072332052.db2.gz YRUGZXWGAVQJIS-HNNXBMFYSA-N 1 2 446.570 -0.597 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000563664299 1072332207 /nfs/dbraw/zinc/33/22/07/1072332207.db2.gz YRUGZXWGAVQJIS-OAHLLOKOSA-N 1 2 446.570 -0.597 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000563664299 1072332193 /nfs/dbraw/zinc/33/21/93/1072332193.db2.gz YRUGZXWGAVQJIS-OAHLLOKOSA-N 1 2 446.570 -0.597 20 0 IBADLO CN(Cc1cc[nH]n1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000563739084 1072333830 /nfs/dbraw/zinc/33/38/30/1072333830.db2.gz REBQCIDJHVXCKT-HNNXBMFYSA-N 1 2 428.497 -0.220 20 0 IBADLO CN(Cc1cc[nH]n1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000563739084 1072333824 /nfs/dbraw/zinc/33/38/24/1072333824.db2.gz REBQCIDJHVXCKT-HNNXBMFYSA-N 1 2 428.497 -0.220 20 0 IBADLO CN(Cc1cc[nH]n1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000563739086 1072333897 /nfs/dbraw/zinc/33/38/97/1072333897.db2.gz REBQCIDJHVXCKT-OAHLLOKOSA-N 1 2 428.497 -0.220 20 0 IBADLO CN(Cc1cc[nH]n1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000563739086 1072333890 /nfs/dbraw/zinc/33/38/90/1072333890.db2.gz REBQCIDJHVXCKT-OAHLLOKOSA-N 1 2 428.497 -0.220 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000563739593 1072333680 /nfs/dbraw/zinc/33/36/80/1072333680.db2.gz MFCAPSRFGOHSQE-UHFFFAOYSA-N 1 2 434.482 -0.405 20 0 IBADLO Cn1nnc2c1C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000563783548 1072334439 /nfs/dbraw/zinc/33/44/39/1072334439.db2.gz GXKAIDLKRMEJLQ-HNNXBMFYSA-N 1 2 433.538 -0.417 20 0 IBADLO Cn1nnc2c1C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000563783549 1072334972 /nfs/dbraw/zinc/33/49/72/1072334972.db2.gz GXKAIDLKRMEJLQ-OAHLLOKOSA-N 1 2 433.538 -0.417 20 0 IBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000563999336 1072338152 /nfs/dbraw/zinc/33/81/52/1072338152.db2.gz FOWREDZXDLXQAK-KRWDZBQOSA-N 1 2 443.574 -0.002 20 0 IBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000563999339 1072338288 /nfs/dbraw/zinc/33/82/88/1072338288.db2.gz FOWREDZXDLXQAK-QGZVFWFLSA-N 1 2 443.574 -0.002 20 0 IBADLO CC(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)NC3CN(C(C)=O)C3)[N@H+]2Cc2ccccc2)C1 ZINC000564009469 1072338689 /nfs/dbraw/zinc/33/86/89/1072338689.db2.gz IBBMZLMMGPTHDD-OYRHEFFESA-N 1 2 441.532 -0.287 20 0 IBADLO CC(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)NC3CN(C(C)=O)C3)[N@@H+]2Cc2ccccc2)C1 ZINC000564009469 1072338677 /nfs/dbraw/zinc/33/86/77/1072338677.db2.gz IBBMZLMMGPTHDD-OYRHEFFESA-N 1 2 441.532 -0.287 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000564108305 1072342229 /nfs/dbraw/zinc/34/22/29/1072342229.db2.gz ZWQIPGONEFKLCS-UHFFFAOYSA-N 1 2 433.509 -0.248 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000564108305 1072342223 /nfs/dbraw/zinc/34/22/23/1072342223.db2.gz ZWQIPGONEFKLCS-UHFFFAOYSA-N 1 2 433.509 -0.248 20 0 IBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1C ZINC000564190726 1072344978 /nfs/dbraw/zinc/34/49/78/1072344978.db2.gz SOUDJUYIGDHZHX-UHFFFAOYSA-N 1 2 439.494 -0.111 20 0 IBADLO Cc1ncsc1CCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000564261322 1072347209 /nfs/dbraw/zinc/34/72/09/1072347209.db2.gz BAVSVHLJWYDLFU-UHFFFAOYSA-N 1 2 437.613 -0.566 20 0 IBADLO CSc1nnc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000564298661 1072348016 /nfs/dbraw/zinc/34/80/16/1072348016.db2.gz MERXBECPQKJULA-UHFFFAOYSA-N 1 2 433.523 -0.098 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 ZINC000564314321 1072348866 /nfs/dbraw/zinc/34/88/66/1072348866.db2.gz DGRBSVIMLFEDIL-UHFFFAOYSA-N 1 2 430.513 -0.022 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000564451281 1070975148 /nfs/dbraw/zinc/97/51/48/1070975148.db2.gz YYURAKAPQSUVJY-UHFFFAOYSA-N 1 2 434.522 -0.007 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000564466743 1072351499 /nfs/dbraw/zinc/35/14/99/1072351499.db2.gz MCIZMXUWSNKUAG-UHFFFAOYSA-N 1 2 435.506 0.335 20 0 IBADLO CCOC1CC(CNC(=O)CNS(=O)(=O)c2c(C)noc2C)([NH+]2CCOCC2)C1 ZINC000564526650 1071202362 /nfs/dbraw/zinc/20/23/62/1071202362.db2.gz AYKGHDQNBIRQJE-UHFFFAOYSA-N 1 2 430.527 -0.044 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccncc1 ZINC000564670703 1072354297 /nfs/dbraw/zinc/35/42/97/1072354297.db2.gz SGLXSPLITGTXIR-UHFFFAOYSA-N 1 2 432.506 -0.639 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000564760376 1072355885 /nfs/dbraw/zinc/35/58/85/1072355885.db2.gz OKSVNMJCBKLTGT-UHFFFAOYSA-N 1 2 442.538 -0.348 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000564760376 1072355877 /nfs/dbraw/zinc/35/58/77/1072355877.db2.gz OKSVNMJCBKLTGT-UHFFFAOYSA-N 1 2 442.538 -0.348 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2=O)cn1 ZINC000565091780 1072357511 /nfs/dbraw/zinc/35/75/11/1072357511.db2.gz HLZKULUGFOWOGD-IBGZPJMESA-N 1 2 440.504 -0.388 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2=O)cn1 ZINC000565091780 1072357499 /nfs/dbraw/zinc/35/74/99/1072357499.db2.gz HLZKULUGFOWOGD-IBGZPJMESA-N 1 2 440.504 -0.388 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2=O)cn1 ZINC000565091793 1072357322 /nfs/dbraw/zinc/35/73/22/1072357322.db2.gz HLZKULUGFOWOGD-LJQANCHMSA-N 1 2 440.504 -0.388 20 0 IBADLO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2=O)cn1 ZINC000565091793 1072357314 /nfs/dbraw/zinc/35/73/14/1072357314.db2.gz HLZKULUGFOWOGD-LJQANCHMSA-N 1 2 440.504 -0.388 20 0 IBADLO Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC000565093352 1072357215 /nfs/dbraw/zinc/35/72/15/1072357215.db2.gz QYLZSXJLZOSWJK-FQEVSTJZSA-N 1 2 446.548 -0.133 20 0 IBADLO Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC000565093357 1072357176 /nfs/dbraw/zinc/35/71/76/1072357176.db2.gz QYLZSXJLZOSWJK-HXUWFJFHSA-N 1 2 446.548 -0.133 20 0 IBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000565097928 1072357419 /nfs/dbraw/zinc/35/74/19/1072357419.db2.gz GEZQURFXVNRYLJ-INIZCTEOSA-N 1 2 443.957 -0.532 20 0 IBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000565097933 1072357398 /nfs/dbraw/zinc/35/73/98/1072357398.db2.gz GEZQURFXVNRYLJ-MRXNPFEDSA-N 1 2 443.957 -0.532 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)nc1 ZINC000565264100 1072359182 /nfs/dbraw/zinc/35/91/82/1072359182.db2.gz ZDCLGYGDJAMEJB-MSOLQXFVSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)nc1 ZINC000565264101 1072358973 /nfs/dbraw/zinc/35/89/73/1072358973.db2.gz ZDCLGYGDJAMEJB-QZTJIDSGSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)nc1 ZINC000565264102 1072359060 /nfs/dbraw/zinc/35/90/60/1072359060.db2.gz ZDCLGYGDJAMEJB-ROUUACIJSA-N 1 2 444.536 -0.411 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)nc1 ZINC000565264103 1072359427 /nfs/dbraw/zinc/35/94/27/1072359427.db2.gz ZDCLGYGDJAMEJB-ZWKOTPCHSA-N 1 2 444.536 -0.411 20 0 IBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000565413472 1072362043 /nfs/dbraw/zinc/36/20/43/1072362043.db2.gz XXAUFAGMDZVJCQ-UHFFFAOYSA-N 1 2 426.481 -0.821 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccnc1 ZINC000565528341 1072363587 /nfs/dbraw/zinc/36/35/87/1072363587.db2.gz PTCRRYVCDGIZAO-UHFFFAOYSA-N 1 2 432.506 -0.639 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H](CO)O1 ZINC000565557320 1072363998 /nfs/dbraw/zinc/36/39/98/1072363998.db2.gz DRXDIQMMODIOFU-BRWVUGGUSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H](CO)O1 ZINC000565557320 1072363987 /nfs/dbraw/zinc/36/39/87/1072363987.db2.gz DRXDIQMMODIOFU-BRWVUGGUSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@@H](CO)O1 ZINC000565557325 1072364226 /nfs/dbraw/zinc/36/42/26/1072364226.db2.gz DRXDIQMMODIOFU-IKGGRYGDSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@@H](CO)O1 ZINC000565557325 1072364217 /nfs/dbraw/zinc/36/42/17/1072364217.db2.gz DRXDIQMMODIOFU-IKGGRYGDSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H](CO)O1 ZINC000565557326 1072364291 /nfs/dbraw/zinc/36/42/91/1072364291.db2.gz DRXDIQMMODIOFU-IXDOHACOSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H](CO)O1 ZINC000565557326 1072364277 /nfs/dbraw/zinc/36/42/77/1072364277.db2.gz DRXDIQMMODIOFU-IXDOHACOSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@@H](CO)O1 ZINC000565557327 1072364171 /nfs/dbraw/zinc/36/41/71/1072364171.db2.gz DRXDIQMMODIOFU-ZACQAIPSSA-N 1 2 448.524 -0.994 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@@H](CO)O1 ZINC000565557327 1072364158 /nfs/dbraw/zinc/36/41/58/1072364158.db2.gz DRXDIQMMODIOFU-ZACQAIPSSA-N 1 2 448.524 -0.994 20 0 IBADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565589193 1072364679 /nfs/dbraw/zinc/36/46/79/1072364679.db2.gz HTJAZPIJXYDYFL-PMACEKPBSA-N 1 2 434.537 -0.139 20 0 IBADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565589194 1072364716 /nfs/dbraw/zinc/36/47/16/1072364716.db2.gz HTJAZPIJXYDYFL-UXHICEINSA-N 1 2 434.537 -0.139 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565589195 1072364579 /nfs/dbraw/zinc/36/45/79/1072364579.db2.gz HTJAZPIJXYDYFL-VQTJNVASSA-N 1 2 434.537 -0.139 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565589196 1072364658 /nfs/dbraw/zinc/36/46/58/1072364658.db2.gz HTJAZPIJXYDYFL-WOJBJXKFSA-N 1 2 434.537 -0.139 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000565663305 1072366315 /nfs/dbraw/zinc/36/63/15/1072366315.db2.gz HGLUWZDTGUKVLU-IKGGRYGDSA-N 1 2 432.525 -0.306 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000565663306 1072366298 /nfs/dbraw/zinc/36/62/98/1072366298.db2.gz HGLUWZDTGUKVLU-IXDOHACOSA-N 1 2 432.525 -0.306 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1=O ZINC000565663307 1072366144 /nfs/dbraw/zinc/36/61/44/1072366144.db2.gz HGLUWZDTGUKVLU-ULQDDVLXSA-N 1 2 432.525 -0.306 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000565663308 1072366232 /nfs/dbraw/zinc/36/62/32/1072366232.db2.gz HGLUWZDTGUKVLU-YESZJQIVSA-N 1 2 432.525 -0.306 20 0 IBADLO O=C(NCCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000565664262 1072366410 /nfs/dbraw/zinc/36/64/10/1072366410.db2.gz GMKORGJSRWEXAK-INIZCTEOSA-N 1 2 428.497 -0.589 20 0 IBADLO O=C(NCCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000565664262 1072366398 /nfs/dbraw/zinc/36/63/98/1072366398.db2.gz GMKORGJSRWEXAK-INIZCTEOSA-N 1 2 428.497 -0.589 20 0 IBADLO O=C(NCCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000565664272 1072366178 /nfs/dbraw/zinc/36/61/78/1072366178.db2.gz GMKORGJSRWEXAK-MRXNPFEDSA-N 1 2 428.497 -0.589 20 0 IBADLO O=C(NCCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000565664272 1072366169 /nfs/dbraw/zinc/36/61/69/1072366169.db2.gz GMKORGJSRWEXAK-MRXNPFEDSA-N 1 2 428.497 -0.589 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000565678954 1072366877 /nfs/dbraw/zinc/36/68/77/1072366877.db2.gz RTLNIPBWJWHKHY-INIZCTEOSA-N 1 2 434.541 -0.404 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000565678954 1072366868 /nfs/dbraw/zinc/36/68/68/1072366868.db2.gz RTLNIPBWJWHKHY-INIZCTEOSA-N 1 2 434.541 -0.404 20 0 IBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000565678961 1072366826 /nfs/dbraw/zinc/36/68/26/1072366826.db2.gz RTLNIPBWJWHKHY-MRXNPFEDSA-N 1 2 434.541 -0.404 20 0 IBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000565678961 1072366817 /nfs/dbraw/zinc/36/68/17/1072366817.db2.gz RTLNIPBWJWHKHY-MRXNPFEDSA-N 1 2 434.541 -0.404 20 0 IBADLO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1OC ZINC000565688799 1072366774 /nfs/dbraw/zinc/36/67/74/1072366774.db2.gz BCEUAEQZIBKUOL-UHFFFAOYSA-N 1 2 438.510 -0.582 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)NCc3cc[nH]n3)cc2)CC1 ZINC000565730335 1072367313 /nfs/dbraw/zinc/36/73/13/1072367313.db2.gz SCBMDJKBVSHXJC-UHFFFAOYSA-N 1 2 442.520 -0.072 20 0 IBADLO Cc1nn(C)c(C)c1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565764033 1072367749 /nfs/dbraw/zinc/36/77/49/1072367749.db2.gz GWPCQZBUTIGLRC-UHFFFAOYSA-N 1 2 427.509 -0.097 20 0 IBADLO NC(=O)c1cc(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)on1 ZINC000565766198 1072367938 /nfs/dbraw/zinc/36/79/38/1072367938.db2.gz SBKSASKKBZPISJ-UHFFFAOYSA-N 1 2 431.449 -0.583 20 0 IBADLO COc1nnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000565847598 1072368808 /nfs/dbraw/zinc/36/88/08/1072368808.db2.gz PSEKPNGRWWNJNW-UHFFFAOYSA-N 1 2 427.512 0.215 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000565849429 1072369105 /nfs/dbraw/zinc/36/91/05/1072369105.db2.gz MOVFGGXMUDJUNC-AWEZNQCLSA-N 1 2 428.511 -0.350 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000565849429 1072369093 /nfs/dbraw/zinc/36/90/93/1072369093.db2.gz MOVFGGXMUDJUNC-AWEZNQCLSA-N 1 2 428.511 -0.350 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000565849430 1072368867 /nfs/dbraw/zinc/36/88/67/1072368867.db2.gz MOVFGGXMUDJUNC-CQSZACIVSA-N 1 2 428.511 -0.350 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000565849430 1072368858 /nfs/dbraw/zinc/36/88/58/1072368858.db2.gz MOVFGGXMUDJUNC-CQSZACIVSA-N 1 2 428.511 -0.350 20 0 IBADLO CC(C)C1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000565912783 1072370577 /nfs/dbraw/zinc/37/05/77/1072370577.db2.gz XYMOFCFZEMEWOV-UHFFFAOYSA-N 1 2 443.614 -0.046 20 0 IBADLO COCc1nc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000565924155 1072370494 /nfs/dbraw/zinc/37/04/94/1072370494.db2.gz RVTWNMLDLCHDRR-UHFFFAOYSA-N 1 2 432.572 -0.391 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000565940427 1072370556 /nfs/dbraw/zinc/37/05/56/1072370556.db2.gz XRCFDKKRARZKCJ-HNNXBMFYSA-N 1 2 440.522 -0.823 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000565940427 1072370543 /nfs/dbraw/zinc/37/05/43/1072370543.db2.gz XRCFDKKRARZKCJ-HNNXBMFYSA-N 1 2 440.522 -0.823 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000565940429 1072371069 /nfs/dbraw/zinc/37/10/69/1072371069.db2.gz XRCFDKKRARZKCJ-OAHLLOKOSA-N 1 2 440.522 -0.823 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000565940429 1072371063 /nfs/dbraw/zinc/37/10/63/1072371063.db2.gz XRCFDKKRARZKCJ-OAHLLOKOSA-N 1 2 440.522 -0.823 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000565976876 1072371043 /nfs/dbraw/zinc/37/10/43/1072371043.db2.gz DRDAADCNRJLASK-INIZCTEOSA-N 1 2 440.570 -0.175 20 0 IBADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000565976887 1072371198 /nfs/dbraw/zinc/37/11/98/1072371198.db2.gz DRDAADCNRJLASK-MRXNPFEDSA-N 1 2 440.570 -0.175 20 0 IBADLO COCCn1cc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000566371291 1072373411 /nfs/dbraw/zinc/37/34/11/1072373411.db2.gz WZUUIWOCHKEXOP-UHFFFAOYSA-N 1 2 443.508 -0.604 20 0 IBADLO O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566650505 1073327831 /nfs/dbraw/zinc/32/78/31/1073327831.db2.gz RFEXQWDLOWXDJY-AVRDEDQJSA-N 1 2 427.505 0.436 20 0 IBADLO O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566650506 1073327754 /nfs/dbraw/zinc/32/77/54/1073327754.db2.gz RFEXQWDLOWXDJY-GCJKJVERSA-N 1 2 427.505 0.436 20 0 IBADLO O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566650507 1072377316 /nfs/dbraw/zinc/37/73/16/1072377316.db2.gz RFEXQWDLOWXDJY-PGRDOPGGSA-N 1 2 427.505 0.436 20 0 IBADLO O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566650508 1073327185 /nfs/dbraw/zinc/32/71/85/1073327185.db2.gz RFEXQWDLOWXDJY-XMSQKQJNSA-N 1 2 427.505 0.436 20 0 IBADLO CC(C)OCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566666826 1072377435 /nfs/dbraw/zinc/37/74/35/1072377435.db2.gz IWCWHUCZIPECRM-UHFFFAOYSA-N 1 2 441.554 -0.419 20 0 IBADLO CCO[C@@H](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000566762751 1072378937 /nfs/dbraw/zinc/37/89/37/1072378937.db2.gz WROYKRJEMKQHMF-KRWDZBQOSA-N 1 2 447.602 -0.810 20 0 IBADLO CCO[C@H](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000566762752 1072379001 /nfs/dbraw/zinc/37/90/01/1072379001.db2.gz WROYKRJEMKQHMF-QGZVFWFLSA-N 1 2 447.602 -0.810 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000566861790 1072381390 /nfs/dbraw/zinc/38/13/90/1072381390.db2.gz KLHKDSDUKKQOBD-UHFFFAOYSA-N 1 2 431.537 -0.457 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1=O ZINC000566942836 1072383020 /nfs/dbraw/zinc/38/30/20/1072383020.db2.gz PTOIYONVAYFEPP-INIZCTEOSA-N 1 2 440.508 -0.038 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1=O ZINC000566942837 1072383113 /nfs/dbraw/zinc/38/31/13/1072383113.db2.gz PTOIYONVAYFEPP-MRXNPFEDSA-N 1 2 440.508 -0.038 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000566985937 1072383602 /nfs/dbraw/zinc/38/36/02/1072383602.db2.gz FUSNBNYTUMHLGR-UHFFFAOYSA-N 1 2 426.543 0.247 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNC(=O)c2cccnc2)CC3)CC1 ZINC000566986517 1072383653 /nfs/dbraw/zinc/38/36/53/1072383653.db2.gz GRRDRHWLIDXAPD-INIZCTEOSA-N 1 2 439.520 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNC(=O)c2cccnc2)CC3)CC1 ZINC000566986518 1072383585 /nfs/dbraw/zinc/38/35/85/1072383585.db2.gz GRRDRHWLIDXAPD-MRXNPFEDSA-N 1 2 439.520 -0.226 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000566997744 1072384077 /nfs/dbraw/zinc/38/40/77/1072384077.db2.gz YQRFVVVUODJUFE-IBGZPJMESA-N 1 2 429.521 -0.107 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000566997745 1072384104 /nfs/dbraw/zinc/38/41/04/1072384104.db2.gz YQRFVVVUODJUFE-LJQANCHMSA-N 1 2 429.521 -0.107 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000567187713 1072387902 /nfs/dbraw/zinc/38/79/02/1072387902.db2.gz NKDBWJUURSPJED-INIZCTEOSA-N 1 2 432.525 -0.773 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000567187714 1072387745 /nfs/dbraw/zinc/38/77/45/1072387745.db2.gz NKDBWJUURSPJED-MRXNPFEDSA-N 1 2 432.525 -0.773 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc[nH+]1 ZINC000567192107 1072387882 /nfs/dbraw/zinc/38/78/82/1072387882.db2.gz PPIVRVJSHKRDPF-HNNXBMFYSA-N 1 2 426.481 -0.521 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc[nH+]1 ZINC000567192108 1072387941 /nfs/dbraw/zinc/38/79/41/1072387941.db2.gz PPIVRVJSHKRDPF-OAHLLOKOSA-N 1 2 426.481 -0.521 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000567197160 1072388452 /nfs/dbraw/zinc/38/84/52/1072388452.db2.gz LHOUGVKDRHSJSI-IIDMSEBBSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000567197160 1072388440 /nfs/dbraw/zinc/38/84/40/1072388440.db2.gz LHOUGVKDRHSJSI-IIDMSEBBSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000567197161 1072388410 /nfs/dbraw/zinc/38/84/10/1072388410.db2.gz LHOUGVKDRHSJSI-RKVPGOIHSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000567197161 1072388407 /nfs/dbraw/zinc/38/84/07/1072388407.db2.gz LHOUGVKDRHSJSI-RKVPGOIHSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000567197162 1072388264 /nfs/dbraw/zinc/38/82/64/1072388264.db2.gz LHOUGVKDRHSJSI-RVKKMQEKSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000567197162 1072388257 /nfs/dbraw/zinc/38/82/57/1072388257.db2.gz LHOUGVKDRHSJSI-RVKKMQEKSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000567197163 1072388356 /nfs/dbraw/zinc/38/83/56/1072388356.db2.gz LHOUGVKDRHSJSI-VKJFTORMSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000567197163 1072388351 /nfs/dbraw/zinc/38/83/51/1072388351.db2.gz LHOUGVKDRHSJSI-VKJFTORMSA-N 1 2 427.523 -0.290 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000567289977 1072389813 /nfs/dbraw/zinc/38/98/13/1072389813.db2.gz ZVZYAOCGRBCVPE-GDBMZVCRSA-N 1 2 428.559 -0.130 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000567289977 1072389811 /nfs/dbraw/zinc/38/98/11/1072389811.db2.gz ZVZYAOCGRBCVPE-GDBMZVCRSA-N 1 2 428.559 -0.130 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000567289981 1072389890 /nfs/dbraw/zinc/38/98/90/1072389890.db2.gz ZVZYAOCGRBCVPE-ZBFHGGJFSA-N 1 2 428.559 -0.130 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000567289981 1072389882 /nfs/dbraw/zinc/38/98/82/1072389882.db2.gz ZVZYAOCGRBCVPE-ZBFHGGJFSA-N 1 2 428.559 -0.130 20 0 IBADLO CCC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000567293662 1072389825 /nfs/dbraw/zinc/38/98/25/1072389825.db2.gz LVLGQNHDRMPSNB-KRWDZBQOSA-N 1 2 436.534 -0.011 20 0 IBADLO CCC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000567293662 1072389822 /nfs/dbraw/zinc/38/98/22/1072389822.db2.gz LVLGQNHDRMPSNB-KRWDZBQOSA-N 1 2 436.534 -0.011 20 0 IBADLO CCC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000567293663 1072389862 /nfs/dbraw/zinc/38/98/62/1072389862.db2.gz LVLGQNHDRMPSNB-QGZVFWFLSA-N 1 2 436.534 -0.011 20 0 IBADLO CCC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000567293663 1072389858 /nfs/dbraw/zinc/38/98/58/1072389858.db2.gz LVLGQNHDRMPSNB-QGZVFWFLSA-N 1 2 436.534 -0.011 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000567358680 1072390244 /nfs/dbraw/zinc/39/02/44/1072390244.db2.gz BLYBQUIJYXYOJE-UHFFFAOYSA-N 1 2 441.535 -0.212 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000567425322 1072391824 /nfs/dbraw/zinc/39/18/24/1072391824.db2.gz GTWOLUXXUBGJTR-UHFFFAOYSA-N 1 2 427.461 0.554 20 0 IBADLO Cc1c(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cnn1C ZINC000567499480 1072393651 /nfs/dbraw/zinc/39/36/51/1072393651.db2.gz BXDVIKNNFVCURM-KRWDZBQOSA-N 1 2 442.524 -0.243 20 0 IBADLO Cc1c(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cnn1C ZINC000567499480 1072393641 /nfs/dbraw/zinc/39/36/41/1072393641.db2.gz BXDVIKNNFVCURM-KRWDZBQOSA-N 1 2 442.524 -0.243 20 0 IBADLO Cc1c(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cnn1C ZINC000567499481 1072393763 /nfs/dbraw/zinc/39/37/63/1072393763.db2.gz BXDVIKNNFVCURM-QGZVFWFLSA-N 1 2 442.524 -0.243 20 0 IBADLO Cc1c(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cnn1C ZINC000567499481 1072393758 /nfs/dbraw/zinc/39/37/58/1072393758.db2.gz BXDVIKNNFVCURM-QGZVFWFLSA-N 1 2 442.524 -0.243 20 0 IBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567522693 1072393566 /nfs/dbraw/zinc/39/35/66/1072393566.db2.gz XJEDNEZTLRKDQE-AAEUAGOBSA-N 1 2 432.524 -0.611 20 0 IBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567522694 1072393776 /nfs/dbraw/zinc/39/37/76/1072393776.db2.gz XJEDNEZTLRKDQE-DGCLKSJQSA-N 1 2 432.524 -0.611 20 0 IBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567522695 1072393809 /nfs/dbraw/zinc/39/38/09/1072393809.db2.gz XJEDNEZTLRKDQE-WCQYABFASA-N 1 2 432.524 -0.611 20 0 IBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567522696 1072393738 /nfs/dbraw/zinc/39/37/38/1072393738.db2.gz XJEDNEZTLRKDQE-YPMHNXCESA-N 1 2 432.524 -0.611 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000567546411 1072394815 /nfs/dbraw/zinc/39/48/15/1072394815.db2.gz NRWQSDLZCQUATE-HNNXBMFYSA-N 1 2 446.533 -0.006 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000567546412 1072394726 /nfs/dbraw/zinc/39/47/26/1072394726.db2.gz NRWQSDLZCQUATE-OAHLLOKOSA-N 1 2 446.533 -0.006 20 0 IBADLO COc1ccc(C(=O)N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c(OC)c1 ZINC000567617547 1072395091 /nfs/dbraw/zinc/39/50/91/1072395091.db2.gz NNIWQFQWXZTBNJ-UHFFFAOYSA-N 1 2 445.524 -0.081 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCSC[C@@H]3CO)CC2)cc1 ZINC000567646196 1072395654 /nfs/dbraw/zinc/39/56/54/1072395654.db2.gz IEOIMVQEPMYLSB-HNNXBMFYSA-N 1 2 429.564 -0.062 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCSC[C@@H]3CO)CC2)cc1 ZINC000567646196 1072395644 /nfs/dbraw/zinc/39/56/44/1072395644.db2.gz IEOIMVQEPMYLSB-HNNXBMFYSA-N 1 2 429.564 -0.062 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCSC[C@H]3CO)CC2)cc1 ZINC000567646197 1072395897 /nfs/dbraw/zinc/39/58/97/1072395897.db2.gz IEOIMVQEPMYLSB-OAHLLOKOSA-N 1 2 429.564 -0.062 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCSC[C@H]3CO)CC2)cc1 ZINC000567646197 1072395890 /nfs/dbraw/zinc/39/58/90/1072395890.db2.gz IEOIMVQEPMYLSB-OAHLLOKOSA-N 1 2 429.564 -0.062 20 0 IBADLO O=C(CNS(=O)(=O)c1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000567655504 1072395915 /nfs/dbraw/zinc/39/59/15/1072395915.db2.gz WBXMUUGCQARYRJ-UHFFFAOYSA-N 1 2 446.533 -0.060 20 0 IBADLO O=C(CNS(=O)(=O)c1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000567655504 1072395909 /nfs/dbraw/zinc/39/59/09/1072395909.db2.gz WBXMUUGCQARYRJ-UHFFFAOYSA-N 1 2 446.533 -0.060 20 0 IBADLO Cc1noc(C)c1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000567761096 1072396416 /nfs/dbraw/zinc/39/64/16/1072396416.db2.gz VQSKZSYQZOGIHZ-UHFFFAOYSA-N 1 2 429.481 -0.117 20 0 IBADLO Cc1noc(C)c1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000567761096 1072396408 /nfs/dbraw/zinc/39/64/08/1072396408.db2.gz VQSKZSYQZOGIHZ-UHFFFAOYSA-N 1 2 429.481 -0.117 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000567762595 1072396269 /nfs/dbraw/zinc/39/62/69/1072396269.db2.gz SHNNZAVFDZETTF-KRWDZBQOSA-N 1 2 426.539 -0.446 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000567762596 1072396471 /nfs/dbraw/zinc/39/64/71/1072396471.db2.gz SHNNZAVFDZETTF-QGZVFWFLSA-N 1 2 426.539 -0.446 20 0 IBADLO COCCC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000567962411 1073417339 /nfs/dbraw/zinc/41/73/39/1073417339.db2.gz IKQHLIJYXUAVEE-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO COCCC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000567962411 1073417330 /nfs/dbraw/zinc/41/73/30/1073417330.db2.gz IKQHLIJYXUAVEE-UHFFFAOYSA-N 1 2 432.525 -0.105 20 0 IBADLO Nc1nc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc(N2CCOCC2)n1 ZINC000568064013 1073364286 /nfs/dbraw/zinc/36/42/86/1073364286.db2.gz IFZRZXCTRXCIKI-UHFFFAOYSA-N 1 2 440.508 0.123 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000568141009 1072401434 /nfs/dbraw/zinc/40/14/34/1072401434.db2.gz LCDJIUWOCVTNSK-NRFANRHFSA-N 1 2 431.493 -0.746 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000568141010 1072401550 /nfs/dbraw/zinc/40/15/50/1072401550.db2.gz LCDJIUWOCVTNSK-OAQYLSRUSA-N 1 2 431.493 -0.746 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000568243004 1072401963 /nfs/dbraw/zinc/40/19/63/1072401963.db2.gz FYIROPBOTKJQMI-GOSISDBHSA-N 1 2 434.541 -0.514 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000568243005 1072402089 /nfs/dbraw/zinc/40/20/89/1072402089.db2.gz FYIROPBOTKJQMI-SFHVURJKSA-N 1 2 434.541 -0.514 20 0 IBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000568305992 1072402651 /nfs/dbraw/zinc/40/26/51/1072402651.db2.gz IXJZFXLLXABFRE-JOCHJYFZSA-N 1 2 432.521 -0.002 20 0 IBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000568305993 1072402762 /nfs/dbraw/zinc/40/27/62/1072402762.db2.gz IXJZFXLLXABFRE-QFIPXVFZSA-N 1 2 432.521 -0.002 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)no1 ZINC000568332210 1072404471 /nfs/dbraw/zinc/40/44/71/1072404471.db2.gz MLAMFLUGHPRWLS-KRWDZBQOSA-N 1 2 445.524 0.562 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)no1 ZINC000568332210 1072404466 /nfs/dbraw/zinc/40/44/66/1072404466.db2.gz MLAMFLUGHPRWLS-KRWDZBQOSA-N 1 2 445.524 0.562 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)no1 ZINC000568332211 1072404498 /nfs/dbraw/zinc/40/44/98/1072404498.db2.gz MLAMFLUGHPRWLS-QGZVFWFLSA-N 1 2 445.524 0.562 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)no1 ZINC000568332211 1072404494 /nfs/dbraw/zinc/40/44/94/1072404494.db2.gz MLAMFLUGHPRWLS-QGZVFWFLSA-N 1 2 445.524 0.562 20 0 IBADLO CCC1(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000568378148 1072405085 /nfs/dbraw/zinc/40/50/85/1072405085.db2.gz RGBCKKCOMYIFSU-UHFFFAOYSA-N 1 2 429.587 -0.291 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(C)(C)O ZINC000568419882 1072405731 /nfs/dbraw/zinc/40/57/31/1072405731.db2.gz YNJNQZXBNCUOQQ-GOSISDBHSA-N 1 2 447.584 -0.592 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(C)(C)O ZINC000568419887 1072405673 /nfs/dbraw/zinc/40/56/73/1072405673.db2.gz YNJNQZXBNCUOQQ-SFHVURJKSA-N 1 2 447.584 -0.592 20 0 IBADLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000568447833 1072407779 /nfs/dbraw/zinc/40/77/79/1072407779.db2.gz JYOHITWTRYTXKN-CVEARBPZSA-N 1 2 438.554 -0.873 20 0 IBADLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000568447834 1072407832 /nfs/dbraw/zinc/40/78/32/1072407832.db2.gz JYOHITWTRYTXKN-HOTGVXAUSA-N 1 2 438.554 -0.873 20 0 IBADLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000568447835 1072407617 /nfs/dbraw/zinc/40/76/17/1072407617.db2.gz JYOHITWTRYTXKN-HZPDHXFCSA-N 1 2 438.554 -0.873 20 0 IBADLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000568447836 1072407803 /nfs/dbraw/zinc/40/78/03/1072407803.db2.gz JYOHITWTRYTXKN-JKSUJKDBSA-N 1 2 438.554 -0.873 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000568564774 1072410189 /nfs/dbraw/zinc/41/01/89/1072410189.db2.gz CEMSTYNAXUIUOZ-AWEZNQCLSA-N 1 2 434.415 -0.210 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000568564778 1072410177 /nfs/dbraw/zinc/41/01/77/1072410177.db2.gz CEMSTYNAXUIUOZ-CQSZACIVSA-N 1 2 434.415 -0.210 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000568614072 1072410867 /nfs/dbraw/zinc/41/08/67/1072410867.db2.gz LZBYWMZVDJKOJP-UHFFFAOYSA-N 1 2 445.568 -0.036 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000568614072 1072410864 /nfs/dbraw/zinc/41/08/64/1072410864.db2.gz LZBYWMZVDJKOJP-UHFFFAOYSA-N 1 2 445.568 -0.036 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000568665020 1072411533 /nfs/dbraw/zinc/41/15/33/1072411533.db2.gz BEHGKKYUXZMYQG-NRFANRHFSA-N 1 2 431.541 -0.243 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000568665021 1072411347 /nfs/dbraw/zinc/41/13/47/1072411347.db2.gz BEHGKKYUXZMYQG-OAQYLSRUSA-N 1 2 431.541 -0.243 20 0 IBADLO Cn1nc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C1CC1 ZINC000568687572 1073307242 /nfs/dbraw/zinc/30/72/42/1073307242.db2.gz HKYBZFAZEKVCCJ-UHFFFAOYSA-N 1 2 425.493 0.486 20 0 IBADLO O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000568696568 1072412146 /nfs/dbraw/zinc/41/21/46/1072412146.db2.gz MKVYZVXKDSZMBQ-UHFFFAOYSA-N 1 2 430.914 -0.045 20 0 IBADLO NC(=O)c1ccccc1NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568736555 1072412785 /nfs/dbraw/zinc/41/27/85/1072412785.db2.gz SKEYFQSSAHHRSW-UHFFFAOYSA-N 1 2 446.533 -0.139 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000568900081 1072415179 /nfs/dbraw/zinc/41/51/79/1072415179.db2.gz YWHHGCHLGMJTSH-INIZCTEOSA-N 1 2 449.533 -0.023 20 0 IBADLO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000568900082 1072415219 /nfs/dbraw/zinc/41/52/19/1072415219.db2.gz YWHHGCHLGMJTSH-MRXNPFEDSA-N 1 2 449.533 -0.023 20 0 IBADLO O=C(NCC1CCOCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000568908297 1072415709 /nfs/dbraw/zinc/41/57/09/1072415709.db2.gz RXOKXMJBLHXZGN-KRWDZBQOSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC1CCOCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000568908297 1072415703 /nfs/dbraw/zinc/41/57/03/1072415703.db2.gz RXOKXMJBLHXZGN-KRWDZBQOSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC1CCOCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000568908300 1072415831 /nfs/dbraw/zinc/41/58/31/1072415831.db2.gz RXOKXMJBLHXZGN-QGZVFWFLSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NCC1CCOCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000568908300 1072415825 /nfs/dbraw/zinc/41/58/25/1072415825.db2.gz RXOKXMJBLHXZGN-QGZVFWFLSA-N 1 2 432.525 -0.059 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000568913172 1072415917 /nfs/dbraw/zinc/41/59/17/1072415917.db2.gz QMXQISCUQWVAOW-GOSISDBHSA-N 1 2 434.493 -0.284 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000568913173 1072415896 /nfs/dbraw/zinc/41/58/96/1072415896.db2.gz QMXQISCUQWVAOW-SFHVURJKSA-N 1 2 434.493 -0.284 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[NH+]1CCOCC1 ZINC000568973168 1073357343 /nfs/dbraw/zinc/35/73/43/1073357343.db2.gz RPNXDJOGDHRNNF-AWEZNQCLSA-N 1 2 425.559 -0.368 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[NH+]1CCOCC1 ZINC000568973173 1072416924 /nfs/dbraw/zinc/41/69/24/1072416924.db2.gz RPNXDJOGDHRNNF-CQSZACIVSA-N 1 2 425.559 -0.368 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nnc2ccccn21 ZINC000568981764 1072417659 /nfs/dbraw/zinc/41/76/59/1072417659.db2.gz OLHBBJUQPRGISG-UHFFFAOYSA-N 1 2 430.494 0.398 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000569033299 1072418360 /nfs/dbraw/zinc/41/83/60/1072418360.db2.gz KOHQPFIUTLGLPZ-UHFFFAOYSA-N 1 2 428.497 -0.946 20 0 IBADLO Cn1ccc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000569033299 1072418356 /nfs/dbraw/zinc/41/83/56/1072418356.db2.gz KOHQPFIUTLGLPZ-UHFFFAOYSA-N 1 2 428.497 -0.946 20 0 IBADLO O=C(N[C@@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000569035158 1072418377 /nfs/dbraw/zinc/41/83/77/1072418377.db2.gz PAVSFCYSWQGLIG-APWZRJJASA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000569035158 1072418374 /nfs/dbraw/zinc/41/83/74/1072418374.db2.gz PAVSFCYSWQGLIG-APWZRJJASA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000569035162 1072418891 /nfs/dbraw/zinc/41/88/91/1072418891.db2.gz PAVSFCYSWQGLIG-LPHOPBHVSA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000569035162 1072418890 /nfs/dbraw/zinc/41/88/90/1072418890.db2.gz PAVSFCYSWQGLIG-LPHOPBHVSA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000569035164 1072418792 /nfs/dbraw/zinc/41/87/92/1072418792.db2.gz PAVSFCYSWQGLIG-QFBILLFUSA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000569035164 1072418788 /nfs/dbraw/zinc/41/87/88/1072418788.db2.gz PAVSFCYSWQGLIG-QFBILLFUSA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000569035167 1072418826 /nfs/dbraw/zinc/41/88/26/1072418826.db2.gz PAVSFCYSWQGLIG-VQIMIIECSA-N 1 2 430.509 -0.355 20 0 IBADLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000569035167 1072418824 /nfs/dbraw/zinc/41/88/24/1072418824.db2.gz PAVSFCYSWQGLIG-VQIMIIECSA-N 1 2 430.509 -0.355 20 0 IBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000569050577 1072419528 /nfs/dbraw/zinc/41/95/28/1072419528.db2.gz DGOOMEVFXCVNSO-FGTMMUONSA-N 1 2 430.553 -0.037 20 0 IBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000569050582 1072419374 /nfs/dbraw/zinc/41/93/74/1072419374.db2.gz DGOOMEVFXCVNSO-KSZLIROESA-N 1 2 430.553 -0.037 20 0 IBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000569050586 1072419434 /nfs/dbraw/zinc/41/94/34/1072419434.db2.gz DGOOMEVFXCVNSO-KURKYZTESA-N 1 2 430.553 -0.037 20 0 IBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000569050590 1072419456 /nfs/dbraw/zinc/41/94/56/1072419456.db2.gz DGOOMEVFXCVNSO-KZNAEPCWSA-N 1 2 430.553 -0.037 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn(C2CCOCC2)nn1 ZINC000569056019 1072419419 /nfs/dbraw/zinc/41/94/19/1072419419.db2.gz ZFDHKYMFRRRJJG-UHFFFAOYSA-N 1 2 449.537 -0.094 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)CC2(C(=O)NCCN3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065338 1072419915 /nfs/dbraw/zinc/41/99/15/1072419915.db2.gz WCPYOGGQTOGOLI-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)CC2(C(=O)NCCN3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065338 1072419910 /nfs/dbraw/zinc/41/99/10/1072419910.db2.gz WCPYOGGQTOGOLI-MOPGFXCFSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@H+]3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065339 1072419996 /nfs/dbraw/zinc/41/99/96/1072419996.db2.gz WCPYOGGQTOGOLI-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065339 1072419994 /nfs/dbraw/zinc/41/99/94/1072419994.db2.gz WCPYOGGQTOGOLI-OALUTQOASA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@H+]3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065340 1072420091 /nfs/dbraw/zinc/42/00/91/1072420091.db2.gz WCPYOGGQTOGOLI-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CCOCC2)CCO1 ZINC000569065340 1072420086 /nfs/dbraw/zinc/42/00/86/1072420086.db2.gz WCPYOGGQTOGOLI-RBUKOAKNSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@H+]3CCO[C@H](C)C3)CCOCC2)CCO1 ZINC000569065341 1072419989 /nfs/dbraw/zinc/41/99/89/1072419989.db2.gz WCPYOGGQTOGOLI-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO C[C@@H]1CN(CCNC(=O)C2(CC(=O)NCC[N@@H+]3CCO[C@H](C)C3)CCOCC2)CCO1 ZINC000569065341 1072419988 /nfs/dbraw/zinc/41/99/88/1072419988.db2.gz WCPYOGGQTOGOLI-RTBURBONSA-N 1 2 440.585 -0.153 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCN(C)CC1 ZINC000569085134 1072420020 /nfs/dbraw/zinc/42/00/20/1072420020.db2.gz RJVCKLALQZDUBS-IBGZPJMESA-N 1 2 446.600 -0.897 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCN(C)CC1 ZINC000569085135 1072420071 /nfs/dbraw/zinc/42/00/71/1072420071.db2.gz RJVCKLALQZDUBS-LJQANCHMSA-N 1 2 446.600 -0.897 20 0 IBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1)Nc1ccccc1 ZINC000569092098 1072419982 /nfs/dbraw/zinc/41/99/82/1072419982.db2.gz JHJQIHYAXKEVBO-QZTJIDSGSA-N 1 2 427.505 -0.057 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)N1CCN(c2ncccn2)CC1 ZINC000569097787 1073530798 /nfs/dbraw/zinc/53/07/98/1073530798.db2.gz XROKRXPKCFHCAP-UHFFFAOYSA-N 1 2 440.508 -0.308 20 0 IBADLO CC(C)(CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000569108915 1072420007 /nfs/dbraw/zinc/42/00/07/1072420007.db2.gz RKXRCXMXWYPSDM-UHFFFAOYSA-N 1 2 446.552 -0.537 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(CN4CCN(S(C)(=O)=O)CC4)n3)cn2)CC1 ZINC000569153376 1072421210 /nfs/dbraw/zinc/42/12/10/1072421210.db2.gz VQBSAUPNKRMPJA-UHFFFAOYSA-N 1 2 449.537 -0.404 20 0 IBADLO COc1c[nH+]c(NC[C@@H]2CCCS(=O)(=O)C2)nc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000569264224 1072423603 /nfs/dbraw/zinc/42/36/03/1072423603.db2.gz ZLDOCTGBQBMVTF-KBPBESRZSA-N 1 2 432.568 -0.198 20 0 IBADLO COc1c[nH+]c(NC[C@@H]2CCCS(=O)(=O)C2)nc1NC[C@H]1CCCS(=O)(=O)C1 ZINC000569264225 1072423591 /nfs/dbraw/zinc/42/35/91/1072423591.db2.gz ZLDOCTGBQBMVTF-KGLIPLIRSA-N 1 2 432.568 -0.198 20 0 IBADLO COc1c[nH+]c(NC[C@H]2CCCS(=O)(=O)C2)nc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000569264226 1072423537 /nfs/dbraw/zinc/42/35/37/1072423537.db2.gz ZLDOCTGBQBMVTF-UONOGXRCSA-N 1 2 432.568 -0.198 20 0 IBADLO COc1c[nH+]c(NC[C@H]2CCCS(=O)(=O)C2)nc1NC[C@H]1CCCS(=O)(=O)C1 ZINC000569264227 1072423610 /nfs/dbraw/zinc/42/36/10/1072423610.db2.gz ZLDOCTGBQBMVTF-ZIAGYGMSSA-N 1 2 432.568 -0.198 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569264296 1072423597 /nfs/dbraw/zinc/42/35/97/1072423597.db2.gz BXZQXIDGJJCZKP-MSOLQXFVSA-N 1 2 448.568 -0.110 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569264297 1072423999 /nfs/dbraw/zinc/42/39/99/1072423999.db2.gz BXZQXIDGJJCZKP-QZTJIDSGSA-N 1 2 448.568 -0.110 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569264298 1072424081 /nfs/dbraw/zinc/42/40/81/1072424081.db2.gz BXZQXIDGJJCZKP-ROUUACIJSA-N 1 2 448.568 -0.110 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569264299 1072424168 /nfs/dbraw/zinc/42/41/68/1072424168.db2.gz BXZQXIDGJJCZKP-ZWKOTPCHSA-N 1 2 448.568 -0.110 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569281018 1072424791 /nfs/dbraw/zinc/42/47/91/1072424791.db2.gz TVPFGHCQBPHLBV-INIZCTEOSA-N 1 2 428.559 -0.034 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569281018 1072424788 /nfs/dbraw/zinc/42/47/88/1072424788.db2.gz TVPFGHCQBPHLBV-INIZCTEOSA-N 1 2 428.559 -0.034 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569281019 1072424718 /nfs/dbraw/zinc/42/47/18/1072424718.db2.gz TVPFGHCQBPHLBV-MRXNPFEDSA-N 1 2 428.559 -0.034 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569281019 1072424713 /nfs/dbraw/zinc/42/47/13/1072424713.db2.gz TVPFGHCQBPHLBV-MRXNPFEDSA-N 1 2 428.559 -0.034 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000569382584 1072425367 /nfs/dbraw/zinc/42/53/67/1072425367.db2.gz XDJWWNOMHOFCDY-INIZCTEOSA-N 1 2 430.513 0.262 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000569382585 1073306121 /nfs/dbraw/zinc/30/61/21/1073306121.db2.gz XDJWWNOMHOFCDY-MRXNPFEDSA-N 1 2 430.513 0.262 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 ZINC000569408570 1072426489 /nfs/dbraw/zinc/42/64/89/1072426489.db2.gz SKUNTEQPOQLKGJ-UHFFFAOYSA-N 1 2 433.509 -0.256 20 0 IBADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000569415681 1072426627 /nfs/dbraw/zinc/42/66/27/1072426627.db2.gz WHYRUEMNCMUGEJ-HZSPNIEDSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000569415681 1072426624 /nfs/dbraw/zinc/42/66/24/1072426624.db2.gz WHYRUEMNCMUGEJ-HZSPNIEDSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H](C)O1 ZINC000569415682 1072426528 /nfs/dbraw/zinc/42/65/28/1072426528.db2.gz WHYRUEMNCMUGEJ-MCIONIFRSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H](C)O1 ZINC000569415683 1072427090 /nfs/dbraw/zinc/42/70/90/1072427090.db2.gz WHYRUEMNCMUGEJ-MGPQQGTHSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000569415684 1072427052 /nfs/dbraw/zinc/42/70/52/1072427052.db2.gz WHYRUEMNCMUGEJ-MJBXVCDLSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000569415684 1072427046 /nfs/dbraw/zinc/42/70/46/1072427046.db2.gz WHYRUEMNCMUGEJ-MJBXVCDLSA-N 1 2 428.511 -0.243 20 0 IBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000569480737 1072427809 /nfs/dbraw/zinc/42/78/09/1072427809.db2.gz YJWDUSOXOKKYPB-INIZCTEOSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000569480743 1072427672 /nfs/dbraw/zinc/42/76/72/1072427672.db2.gz YJWDUSOXOKKYPB-MRXNPFEDSA-N 1 2 428.537 -0.022 20 0 IBADLO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000569504104 1072427744 /nfs/dbraw/zinc/42/77/44/1072427744.db2.gz SALLLRWYSZJQNQ-DLBZAZTESA-N 1 2 443.614 -0.046 20 0 IBADLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000569504115 1072427914 /nfs/dbraw/zinc/42/79/14/1072427914.db2.gz SALLLRWYSZJQNQ-IAGOWNOFSA-N 1 2 443.614 -0.046 20 0 IBADLO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000569504118 1072427835 /nfs/dbraw/zinc/42/78/35/1072427835.db2.gz SALLLRWYSZJQNQ-IRXDYDNUSA-N 1 2 443.614 -0.046 20 0 IBADLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000569504119 1072427778 /nfs/dbraw/zinc/42/77/78/1072427778.db2.gz SALLLRWYSZJQNQ-SJORKVTESA-N 1 2 443.614 -0.046 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNS(=O)(=O)c3cccnc3)ccn2)CC1 ZINC000569509866 1072428583 /nfs/dbraw/zinc/42/85/83/1072428583.db2.gz DQKJOVPEVJUMDC-UHFFFAOYSA-N 1 2 447.521 -0.036 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569511179 1072428560 /nfs/dbraw/zinc/42/85/60/1072428560.db2.gz HGXCBBSOSBDXGK-DLBZAZTESA-N 1 2 434.541 -0.500 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569511182 1072428533 /nfs/dbraw/zinc/42/85/33/1072428533.db2.gz HGXCBBSOSBDXGK-IAGOWNOFSA-N 1 2 434.541 -0.500 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569511184 1072428622 /nfs/dbraw/zinc/42/86/22/1072428622.db2.gz HGXCBBSOSBDXGK-IRXDYDNUSA-N 1 2 434.541 -0.500 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)[NH+]1CCOCC1 ZINC000569511185 1072428591 /nfs/dbraw/zinc/42/85/91/1072428591.db2.gz HGXCBBSOSBDXGK-SJORKVTESA-N 1 2 434.541 -0.500 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000569624412 1073560125 /nfs/dbraw/zinc/56/01/25/1073560125.db2.gz UKPGGKSXUCXXPV-UHFFFAOYSA-N 1 2 427.527 -0.057 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000569624412 1073560114 /nfs/dbraw/zinc/56/01/14/1073560114.db2.gz UKPGGKSXUCXXPV-UHFFFAOYSA-N 1 2 427.527 -0.057 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@H](C)C1 ZINC000569641553 1071219487 /nfs/dbraw/zinc/21/94/87/1071219487.db2.gz QHBSDLIGGOBPLV-GFCCVEGCSA-N 1 2 431.536 -0.136 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@H](C)C1 ZINC000569641553 1071219474 /nfs/dbraw/zinc/21/94/74/1071219474.db2.gz QHBSDLIGGOBPLV-GFCCVEGCSA-N 1 2 431.536 -0.136 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@@H](C)C1 ZINC000569641554 1071219813 /nfs/dbraw/zinc/21/98/13/1071219813.db2.gz QHBSDLIGGOBPLV-LBPRGKRZSA-N 1 2 431.536 -0.136 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@@H](C)C1 ZINC000569641554 1071219806 /nfs/dbraw/zinc/21/98/06/1071219806.db2.gz QHBSDLIGGOBPLV-LBPRGKRZSA-N 1 2 431.536 -0.136 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000569680830 1072431928 /nfs/dbraw/zinc/43/19/28/1072431928.db2.gz IRHQJUAFWBOQDQ-IPELMVKDSA-N 1 2 440.491 -0.022 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569680831 1072431902 /nfs/dbraw/zinc/43/19/02/1072431902.db2.gz IRHQJUAFWBOQDQ-KFKAGJAMSA-N 1 2 440.491 -0.022 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000569680832 1072431874 /nfs/dbraw/zinc/43/18/74/1072431874.db2.gz IRHQJUAFWBOQDQ-SNRMKQJTSA-N 1 2 440.491 -0.022 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569680833 1072431806 /nfs/dbraw/zinc/43/18/06/1072431806.db2.gz IRHQJUAFWBOQDQ-ZYSHUDEJSA-N 1 2 440.491 -0.022 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000569820180 1072434137 /nfs/dbraw/zinc/43/41/37/1072434137.db2.gz GOESPILLRQJJPU-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000569820180 1072434132 /nfs/dbraw/zinc/43/41/32/1072434132.db2.gz GOESPILLRQJJPU-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000569820181 1072434028 /nfs/dbraw/zinc/43/40/28/1072434028.db2.gz GOESPILLRQJJPU-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000569820181 1072434018 /nfs/dbraw/zinc/43/40/18/1072434018.db2.gz GOESPILLRQJJPU-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000569820182 1072434082 /nfs/dbraw/zinc/43/40/82/1072434082.db2.gz GOESPILLRQJJPU-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000569820182 1072434076 /nfs/dbraw/zinc/43/40/76/1072434076.db2.gz GOESPILLRQJJPU-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000569820183 1072433997 /nfs/dbraw/zinc/43/39/97/1072433997.db2.gz GOESPILLRQJJPU-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000569820183 1072433991 /nfs/dbraw/zinc/43/39/91/1072433991.db2.gz GOESPILLRQJJPU-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO COCCn1cc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000569915275 1072435802 /nfs/dbraw/zinc/43/58/02/1072435802.db2.gz HEPVAAZEMUDJSC-UHFFFAOYSA-N 1 2 427.469 -0.829 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000569945968 1071277555 /nfs/dbraw/zinc/27/75/55/1071277555.db2.gz AUQHSQBTFKAPTN-KBPBESRZSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000569945968 1071277542 /nfs/dbraw/zinc/27/75/42/1071277542.db2.gz AUQHSQBTFKAPTN-KBPBESRZSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000569945969 1072435838 /nfs/dbraw/zinc/43/58/38/1072435838.db2.gz AUQHSQBTFKAPTN-KGLIPLIRSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000569945969 1072435833 /nfs/dbraw/zinc/43/58/33/1072435833.db2.gz AUQHSQBTFKAPTN-KGLIPLIRSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000569945970 1072435858 /nfs/dbraw/zinc/43/58/58/1072435858.db2.gz AUQHSQBTFKAPTN-UONOGXRCSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000569945970 1072435856 /nfs/dbraw/zinc/43/58/56/1072435856.db2.gz AUQHSQBTFKAPTN-UONOGXRCSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000569945971 1072435971 /nfs/dbraw/zinc/43/59/71/1072435971.db2.gz AUQHSQBTFKAPTN-ZIAGYGMSSA-N 1 2 440.522 -0.393 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000569945971 1072435970 /nfs/dbraw/zinc/43/59/70/1072435970.db2.gz AUQHSQBTFKAPTN-ZIAGYGMSSA-N 1 2 440.522 -0.393 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000569950678 1072436408 /nfs/dbraw/zinc/43/64/08/1072436408.db2.gz NZIHCRNAPJZIEW-UHFFFAOYSA-N 1 2 430.505 -0.153 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000570067528 1072437719 /nfs/dbraw/zinc/43/77/19/1072437719.db2.gz VNTIXNSGUWSWCK-DOTOQJQBSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000570067529 1072437705 /nfs/dbraw/zinc/43/77/05/1072437705.db2.gz VNTIXNSGUWSWCK-NVXWUHKLSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000570067530 1072437732 /nfs/dbraw/zinc/43/77/32/1072437732.db2.gz VNTIXNSGUWSWCK-RDJZCZTQSA-N 1 2 436.534 -0.258 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000570067531 1072437659 /nfs/dbraw/zinc/43/76/59/1072437659.db2.gz VNTIXNSGUWSWCK-WBVHZDCISA-N 1 2 436.534 -0.258 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000570076615 1072438293 /nfs/dbraw/zinc/43/82/93/1072438293.db2.gz AYRGGHRKLKJAKQ-CYBMUJFWSA-N 1 2 445.419 -0.216 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000570076616 1072438249 /nfs/dbraw/zinc/43/82/49/1072438249.db2.gz AYRGGHRKLKJAKQ-ZDUSSCGKSA-N 1 2 445.419 -0.216 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CCC(N)=O)n3)cc2)CC1 ZINC000570090915 1073337001 /nfs/dbraw/zinc/33/70/01/1073337001.db2.gz PIFJZSMMXDCCEM-UHFFFAOYSA-N 1 2 427.509 0.473 20 0 IBADLO Cc1cc(=O)cc(C)n1CCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000570129612 1072439338 /nfs/dbraw/zinc/43/93/38/1072439338.db2.gz FMQQLXOYRKFFTR-UHFFFAOYSA-N 1 2 439.582 -0.118 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000570188259 1072440754 /nfs/dbraw/zinc/44/07/54/1072440754.db2.gz NBDMDMDFOAFTPW-UHFFFAOYSA-N 1 2 432.510 -0.562 20 0 IBADLO Cc1nnc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000570188259 1072440747 /nfs/dbraw/zinc/44/07/47/1072440747.db2.gz NBDMDMDFOAFTPW-UHFFFAOYSA-N 1 2 432.510 -0.562 20 0 IBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)c1 ZINC000570198177 1072440620 /nfs/dbraw/zinc/44/06/20/1072440620.db2.gz CSQSVOQARSSSGE-UHFFFAOYSA-N 1 2 449.533 -0.137 20 0 IBADLO COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)O1 ZINC000570370080 1072443607 /nfs/dbraw/zinc/44/36/07/1072443607.db2.gz GMJKOYGXEPDQMH-FHLIZLRMSA-N 1 2 433.509 -0.330 20 0 IBADLO COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)O1 ZINC000570370081 1072443617 /nfs/dbraw/zinc/44/36/17/1072443617.db2.gz GMJKOYGXEPDQMH-JCGIZDLHSA-N 1 2 433.509 -0.330 20 0 IBADLO CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000570430956 1072444148 /nfs/dbraw/zinc/44/41/48/1072444148.db2.gz HRHIWTSTSBKRJS-CVEARBPZSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000570430956 1072444145 /nfs/dbraw/zinc/44/41/45/1072444145.db2.gz HRHIWTSTSBKRJS-CVEARBPZSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000570430959 1072444191 /nfs/dbraw/zinc/44/41/91/1072444191.db2.gz HRHIWTSTSBKRJS-HOTGVXAUSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000570430959 1072444187 /nfs/dbraw/zinc/44/41/87/1072444187.db2.gz HRHIWTSTSBKRJS-HOTGVXAUSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000570430960 1072444202 /nfs/dbraw/zinc/44/42/02/1072444202.db2.gz HRHIWTSTSBKRJS-HZPDHXFCSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000570430960 1072444198 /nfs/dbraw/zinc/44/41/98/1072444198.db2.gz HRHIWTSTSBKRJS-HZPDHXFCSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000570430961 1072444164 /nfs/dbraw/zinc/44/41/64/1072444164.db2.gz HRHIWTSTSBKRJS-JKSUJKDBSA-N 1 2 432.525 -0.109 20 0 IBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000570430961 1072444161 /nfs/dbraw/zinc/44/41/61/1072444161.db2.gz HRHIWTSTSBKRJS-JKSUJKDBSA-N 1 2 432.525 -0.109 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CCO1 ZINC000570532424 1072445906 /nfs/dbraw/zinc/44/59/06/1072445906.db2.gz MNDXKPHTTUSVTC-GOSISDBHSA-N 1 2 428.493 -0.825 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CCO1 ZINC000570532424 1072445901 /nfs/dbraw/zinc/44/59/01/1072445901.db2.gz MNDXKPHTTUSVTC-GOSISDBHSA-N 1 2 428.493 -0.825 20 0 IBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CCO1 ZINC000570532425 1072445806 /nfs/dbraw/zinc/44/58/06/1072445806.db2.gz MNDXKPHTTUSVTC-SFHVURJKSA-N 1 2 428.493 -0.825 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CCO1 ZINC000570532425 1072445800 /nfs/dbraw/zinc/44/58/00/1072445800.db2.gz MNDXKPHTTUSVTC-SFHVURJKSA-N 1 2 428.493 -0.825 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000570668450 1072448976 /nfs/dbraw/zinc/44/89/76/1072448976.db2.gz XQWZZUXEZZIBQW-INIZCTEOSA-N 1 2 441.554 -0.101 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000570668451 1072449020 /nfs/dbraw/zinc/44/90/20/1072449020.db2.gz XQWZZUXEZZIBQW-MRXNPFEDSA-N 1 2 441.554 -0.101 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000570713901 1072449723 /nfs/dbraw/zinc/44/97/23/1072449723.db2.gz BIHNOBPDMKPLJY-DLBZAZTESA-N 1 2 432.525 -0.337 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000570713904 1072449780 /nfs/dbraw/zinc/44/97/80/1072449780.db2.gz BIHNOBPDMKPLJY-IAGOWNOFSA-N 1 2 432.525 -0.337 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000570713906 1072449752 /nfs/dbraw/zinc/44/97/52/1072449752.db2.gz BIHNOBPDMKPLJY-IRXDYDNUSA-N 1 2 432.525 -0.337 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000570713908 1072449839 /nfs/dbraw/zinc/44/98/39/1072449839.db2.gz BIHNOBPDMKPLJY-SJORKVTESA-N 1 2 432.525 -0.337 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)(N2CCOCC2)C1 ZINC000570730312 1072450383 /nfs/dbraw/zinc/45/03/83/1072450383.db2.gz WFVHNMGLFSXCQP-UHFFFAOYSA-N 1 2 440.585 -0.058 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)(N2CCOCC2)C1 ZINC000570730312 1072450379 /nfs/dbraw/zinc/45/03/79/1072450379.db2.gz WFVHNMGLFSXCQP-UHFFFAOYSA-N 1 2 440.585 -0.058 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000570745143 1072451174 /nfs/dbraw/zinc/45/11/74/1072451174.db2.gz ZEJUYAINZURLNZ-UHFFFAOYSA-N 1 2 426.477 -0.380 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000570745197 1072451061 /nfs/dbraw/zinc/45/10/61/1072451061.db2.gz KEGJZYHDLXPCEY-UHFFFAOYSA-N 1 2 437.508 -0.096 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCCOCC1 ZINC000570913654 1072453843 /nfs/dbraw/zinc/45/38/43/1072453843.db2.gz GDXQDBVFSXTINW-INIZCTEOSA-N 1 2 439.538 -0.665 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000570913656 1072453665 /nfs/dbraw/zinc/45/36/65/1072453665.db2.gz GDXQDBVFSXTINW-MRXNPFEDSA-N 1 2 439.538 -0.665 20 0 IBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000570943914 1073678245 /nfs/dbraw/zinc/67/82/45/1073678245.db2.gz BMPBPUDMBRPRCO-UHFFFAOYSA-N 1 2 438.488 -0.112 20 0 IBADLO C[C@H]1COCCN1CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570952815 1072454418 /nfs/dbraw/zinc/45/44/18/1072454418.db2.gz XOMVZISJRQMUFJ-KRWDZBQOSA-N 1 2 432.525 -0.927 20 0 IBADLO C[C@@H]1COCCN1CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570952816 1072454450 /nfs/dbraw/zinc/45/44/50/1072454450.db2.gz XOMVZISJRQMUFJ-QGZVFWFLSA-N 1 2 432.525 -0.927 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC000571002767 1072455551 /nfs/dbraw/zinc/45/55/51/1072455551.db2.gz KFZPTXBGDFSKBZ-APWZRJJASA-N 1 2 440.508 -0.214 20 0 IBADLO CCOC(=O)c1ncn(C2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)c1N ZINC000571013646 1072455566 /nfs/dbraw/zinc/45/55/66/1072455566.db2.gz YRTNHVNOYIKQMB-UHFFFAOYSA-N 1 2 433.517 -0.263 20 0 IBADLO Cn1c2ccc(NC(=O)CCC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)nc2n(C)c1=O ZINC000571131807 1072456703 /nfs/dbraw/zinc/45/67/03/1072456703.db2.gz JQZNLVYJDXIUML-HNNXBMFYSA-N 1 2 430.509 0.314 20 0 IBADLO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000571150329 1073309765 /nfs/dbraw/zinc/30/97/65/1073309765.db2.gz VMOADGXOXPFTHZ-INIZCTEOSA-N 1 2 430.513 -0.328 20 0 IBADLO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000571150330 1073309539 /nfs/dbraw/zinc/30/95/39/1073309539.db2.gz VMOADGXOXPFTHZ-MRXNPFEDSA-N 1 2 430.513 -0.328 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC3)CC1 ZINC000571187941 1072457553 /nfs/dbraw/zinc/45/75/53/1072457553.db2.gz KEBGHZBIBUUPEJ-AWEZNQCLSA-N 1 2 445.524 -0.720 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC3)CC1 ZINC000571187943 1072457426 /nfs/dbraw/zinc/45/74/26/1072457426.db2.gz KEBGHZBIBUUPEJ-CQSZACIVSA-N 1 2 445.524 -0.720 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000571423900 1072460585 /nfs/dbraw/zinc/46/05/85/1072460585.db2.gz CBIQGXMGJDGSMY-KRWDZBQOSA-N 1 2 432.525 -0.609 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000571423903 1072460625 /nfs/dbraw/zinc/46/06/25/1072460625.db2.gz CBIQGXMGJDGSMY-QGZVFWFLSA-N 1 2 432.525 -0.609 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)CCn2cc(Br)cn2)c(=O)[nH]c1=O ZINC000571440908 1072460490 /nfs/dbraw/zinc/46/04/90/1072460490.db2.gz DGVAZJIPDLZCRL-UHFFFAOYSA-N 1 2 429.275 -0.049 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+](C)CCn2cc(Br)cn2)c(=O)[nH]c1=O ZINC000571440908 1072460483 /nfs/dbraw/zinc/46/04/83/1072460483.db2.gz DGVAZJIPDLZCRL-UHFFFAOYSA-N 1 2 429.275 -0.049 20 0 IBADLO O=C(NCCn1cncn1)[C@H]1CC[C@@H](C(=O)NCCn2cncn2)[N@H+]1Cc1ccccc1 ZINC000571486983 1072161122 /nfs/dbraw/zinc/16/11/22/1072161122.db2.gz UYCAIBMZZOZKSF-KDURUIRLSA-N 1 2 437.508 -0.165 20 0 IBADLO O=C(NCCn1cncn1)[C@H]1CC[C@@H](C(=O)NCCn2cncn2)[N@@H+]1Cc1ccccc1 ZINC000571486983 1072161117 /nfs/dbraw/zinc/16/11/17/1072161117.db2.gz UYCAIBMZZOZKSF-KDURUIRLSA-N 1 2 437.508 -0.165 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000571531708 1072163052 /nfs/dbraw/zinc/16/30/52/1072163052.db2.gz QCNOQKPAKFQOQZ-IBGZPJMESA-N 1 2 429.521 -0.258 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000571531709 1072162898 /nfs/dbraw/zinc/16/28/98/1072162898.db2.gz QCNOQKPAKFQOQZ-LJQANCHMSA-N 1 2 429.521 -0.258 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000571600236 1072462473 /nfs/dbraw/zinc/46/24/73/1072462473.db2.gz YQSPFEDMVNKPKM-GGPKGHCWSA-N 1 2 446.552 -0.092 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cn1 ZINC000571600236 1072462465 /nfs/dbraw/zinc/46/24/65/1072462465.db2.gz YQSPFEDMVNKPKM-GGPKGHCWSA-N 1 2 446.552 -0.092 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000571600237 1072462491 /nfs/dbraw/zinc/46/24/91/1072462491.db2.gz YQSPFEDMVNKPKM-NSHGMRRFSA-N 1 2 446.552 -0.092 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000571600237 1072462484 /nfs/dbraw/zinc/46/24/84/1072462484.db2.gz YQSPFEDMVNKPKM-NSHGMRRFSA-N 1 2 446.552 -0.092 20 0 IBADLO COCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000571747622 1072164939 /nfs/dbraw/zinc/16/49/39/1072164939.db2.gz KIJQRUCSVYZGBM-UHFFFAOYSA-N 1 2 449.527 -0.183 20 0 IBADLO O=C(C[C@@H]1CCCS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571779698 1072170859 /nfs/dbraw/zinc/17/08/59/1072170859.db2.gz DMENTEBLAZHNFB-INIZCTEOSA-N 1 2 444.579 -0.136 20 0 IBADLO O=C(C[C@H]1CCCS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571779701 1072170607 /nfs/dbraw/zinc/17/06/07/1072170607.db2.gz DMENTEBLAZHNFB-MRXNPFEDSA-N 1 2 444.579 -0.136 20 0 IBADLO COC(=O)C1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000571827583 1072464156 /nfs/dbraw/zinc/46/41/56/1072464156.db2.gz UXGXVTOLYGKRLT-UHFFFAOYSA-N 1 2 431.493 -0.352 20 0 IBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000571918711 1072465876 /nfs/dbraw/zinc/46/58/76/1072465876.db2.gz MAOBFTXNMBALFO-UHFFFAOYSA-N 1 2 449.533 -0.137 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000572020971 1072466512 /nfs/dbraw/zinc/46/65/12/1072466512.db2.gz HEJMWQFGUNPPCJ-UHFFFAOYSA-N 1 2 435.569 -0.094 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000572020971 1072466509 /nfs/dbraw/zinc/46/65/09/1072466509.db2.gz HEJMWQFGUNPPCJ-UHFFFAOYSA-N 1 2 435.569 -0.094 20 0 IBADLO COCCN1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1=O ZINC000572101876 1072467994 /nfs/dbraw/zinc/46/79/94/1072467994.db2.gz ZDQPCMPZPQTTJW-UHFFFAOYSA-N 1 2 431.493 -0.436 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000572156119 1072181401 /nfs/dbraw/zinc/18/14/01/1072181401.db2.gz ZRTBPVHONHNIAU-KRWDZBQOSA-N 1 2 434.541 -0.404 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000572156120 1072181341 /nfs/dbraw/zinc/18/13/41/1072181341.db2.gz ZRTBPVHONHNIAU-QGZVFWFLSA-N 1 2 434.541 -0.404 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572191329 1072183578 /nfs/dbraw/zinc/18/35/78/1072183578.db2.gz OTHCIFWDUBQWQI-INIZCTEOSA-N 1 2 435.525 -0.462 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572191330 1072183668 /nfs/dbraw/zinc/18/36/68/1072183668.db2.gz OTHCIFWDUBQWQI-MRXNPFEDSA-N 1 2 435.525 -0.462 20 0 IBADLO CCOC(=O)c1ccc(N2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CC2)nc1 ZINC000572192467 1072468679 /nfs/dbraw/zinc/46/86/79/1072468679.db2.gz HTGCVHQKWJAHQU-UHFFFAOYSA-N 1 2 430.513 -0.162 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000572204437 1072468967 /nfs/dbraw/zinc/46/89/67/1072468967.db2.gz PSXNRPNNGDYDLT-HNNXBMFYSA-N 1 2 435.481 -0.014 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000572204438 1072469113 /nfs/dbraw/zinc/46/91/13/1072469113.db2.gz PSXNRPNNGDYDLT-OAHLLOKOSA-N 1 2 435.481 -0.014 20 0 IBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000572292926 1072470313 /nfs/dbraw/zinc/47/03/13/1072470313.db2.gz YRLFKCIOZNCPNS-UHFFFAOYSA-N 1 2 426.525 -0.094 20 0 IBADLO CNS(=O)(=O)NC1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000572351440 1072471097 /nfs/dbraw/zinc/47/10/97/1072471097.db2.gz XQXDAAIBSPXHNA-UHFFFAOYSA-N 1 2 438.554 -0.445 20 0 IBADLO CN(Cc1cc[nH]n1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000572384924 1072471456 /nfs/dbraw/zinc/47/14/56/1072471456.db2.gz TZXUURPOYKWGGZ-UHFFFAOYSA-N 1 2 435.510 -0.969 20 0 IBADLO Cn1cc([C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]2C(N)=O)cn1 ZINC000572431850 1072472235 /nfs/dbraw/zinc/47/22/35/1072472235.db2.gz FGKJAEMSAILDFF-SJORKVTESA-N 1 2 427.513 -0.757 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000572446999 1072472769 /nfs/dbraw/zinc/47/27/69/1072472769.db2.gz QVUNQIYZEWTXLN-UHFFFAOYSA-N 1 2 427.527 -0.274 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000572446999 1072472764 /nfs/dbraw/zinc/47/27/64/1072472764.db2.gz QVUNQIYZEWTXLN-UHFFFAOYSA-N 1 2 427.527 -0.274 20 0 IBADLO O=S(=O)(CC[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000572500652 1072473611 /nfs/dbraw/zinc/47/36/11/1072473611.db2.gz IZWQPOSDGSYYEI-INIZCTEOSA-N 1 2 432.568 -0.121 20 0 IBADLO O=S(=O)(CC[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000572500653 1072473626 /nfs/dbraw/zinc/47/36/26/1072473626.db2.gz IZWQPOSDGSYYEI-MRXNPFEDSA-N 1 2 432.568 -0.121 20 0 IBADLO NC(=O)c1cc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)on1 ZINC000572503680 1072473519 /nfs/dbraw/zinc/47/35/19/1072473519.db2.gz GQJHZSJWSAXNFM-UHFFFAOYSA-N 1 2 431.449 -0.583 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000572703931 1072200909 /nfs/dbraw/zinc/20/09/09/1072200909.db2.gz YLJBXVFWSNLPNI-GOSISDBHSA-N 1 2 431.537 -0.588 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000572703931 1072200900 /nfs/dbraw/zinc/20/09/00/1072200900.db2.gz YLJBXVFWSNLPNI-GOSISDBHSA-N 1 2 431.537 -0.588 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000572703932 1072200790 /nfs/dbraw/zinc/20/07/90/1072200790.db2.gz YLJBXVFWSNLPNI-SFHVURJKSA-N 1 2 431.537 -0.588 20 0 IBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000572703932 1072200783 /nfs/dbraw/zinc/20/07/83/1072200783.db2.gz YLJBXVFWSNLPNI-SFHVURJKSA-N 1 2 431.537 -0.588 20 0 IBADLO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000572707599 1072476167 /nfs/dbraw/zinc/47/61/67/1072476167.db2.gz NNTMZKGARNDZIF-INIZCTEOSA-N 1 2 430.513 -0.328 20 0 IBADLO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000572707600 1072476009 /nfs/dbraw/zinc/47/60/09/1072476009.db2.gz NNTMZKGARNDZIF-MRXNPFEDSA-N 1 2 430.513 -0.328 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000572741274 1072476050 /nfs/dbraw/zinc/47/60/50/1072476050.db2.gz TYPQKHIMGIYCKS-KRWDZBQOSA-N 1 2 432.525 -0.698 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000572741275 1072476187 /nfs/dbraw/zinc/47/61/87/1072476187.db2.gz TYPQKHIMGIYCKS-QGZVFWFLSA-N 1 2 432.525 -0.698 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1=O ZINC000572765076 1072476787 /nfs/dbraw/zinc/47/67/87/1072476787.db2.gz CDJCHURKDDZMFD-CVEARBPZSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1=O ZINC000572765076 1072476779 /nfs/dbraw/zinc/47/67/79/1072476779.db2.gz CDJCHURKDDZMFD-CVEARBPZSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1=O ZINC000572765077 1072477039 /nfs/dbraw/zinc/47/70/39/1072477039.db2.gz CDJCHURKDDZMFD-HOTGVXAUSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1=O ZINC000572765077 1072477035 /nfs/dbraw/zinc/47/70/35/1072477035.db2.gz CDJCHURKDDZMFD-HOTGVXAUSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1=O ZINC000572765078 1072477005 /nfs/dbraw/zinc/47/70/05/1072477005.db2.gz CDJCHURKDDZMFD-HZPDHXFCSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1=O ZINC000572765078 1072476999 /nfs/dbraw/zinc/47/69/99/1072476999.db2.gz CDJCHURKDDZMFD-HZPDHXFCSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1=O ZINC000572765079 1072476921 /nfs/dbraw/zinc/47/69/21/1072476921.db2.gz CDJCHURKDDZMFD-JKSUJKDBSA-N 1 2 448.524 -0.390 20 0 IBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1=O ZINC000572765079 1072476914 /nfs/dbraw/zinc/47/69/14/1072476914.db2.gz CDJCHURKDDZMFD-JKSUJKDBSA-N 1 2 448.524 -0.390 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000572797468 1072477505 /nfs/dbraw/zinc/47/75/05/1072477505.db2.gz XUGFCGMZVCZISC-BBRMVZONSA-N 1 2 440.447 -0.662 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000572797469 1072477489 /nfs/dbraw/zinc/47/74/89/1072477489.db2.gz XUGFCGMZVCZISC-CJNGLKHVSA-N 1 2 440.447 -0.662 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000572797470 1072477444 /nfs/dbraw/zinc/47/74/44/1072477444.db2.gz XUGFCGMZVCZISC-CZUORRHYSA-N 1 2 440.447 -0.662 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000572797471 1072477367 /nfs/dbraw/zinc/47/73/67/1072477367.db2.gz XUGFCGMZVCZISC-XJKSGUPXSA-N 1 2 440.447 -0.662 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[C@H](C)C1 ZINC000572873260 1072478329 /nfs/dbraw/zinc/47/83/29/1072478329.db2.gz KLVUPXYKCZPVAF-CABCVRRESA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[C@H](C)C1 ZINC000572873260 1072478326 /nfs/dbraw/zinc/47/83/26/1072478326.db2.gz KLVUPXYKCZPVAF-CABCVRRESA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[C@@H](C)C1 ZINC000572873261 1072478211 /nfs/dbraw/zinc/47/82/11/1072478211.db2.gz KLVUPXYKCZPVAF-GJZGRUSLSA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[C@@H](C)C1 ZINC000572873261 1072478204 /nfs/dbraw/zinc/47/82/04/1072478204.db2.gz KLVUPXYKCZPVAF-GJZGRUSLSA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[C@H](C)C1 ZINC000572873262 1072478266 /nfs/dbraw/zinc/47/82/66/1072478266.db2.gz KLVUPXYKCZPVAF-HUUCEWRRSA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[C@H](C)C1 ZINC000572873262 1072478261 /nfs/dbraw/zinc/47/82/61/1072478261.db2.gz KLVUPXYKCZPVAF-HUUCEWRRSA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[C@@H](C)C1 ZINC000572873263 1072478081 /nfs/dbraw/zinc/47/80/81/1072478081.db2.gz KLVUPXYKCZPVAF-LSDHHAIUSA-N 1 2 434.497 -0.954 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[C@@H](C)C1 ZINC000572873263 1072478071 /nfs/dbraw/zinc/47/80/71/1072478071.db2.gz KLVUPXYKCZPVAF-LSDHHAIUSA-N 1 2 434.497 -0.954 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000572894725 1072203025 /nfs/dbraw/zinc/20/30/25/1072203025.db2.gz VDDNOVFMYJYUMW-KRWDZBQOSA-N 1 2 443.570 -0.006 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000572894725 1072203005 /nfs/dbraw/zinc/20/30/05/1072203005.db2.gz VDDNOVFMYJYUMW-KRWDZBQOSA-N 1 2 443.570 -0.006 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000572894728 1072203158 /nfs/dbraw/zinc/20/31/58/1072203158.db2.gz VDDNOVFMYJYUMW-QGZVFWFLSA-N 1 2 443.570 -0.006 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000572894728 1072203149 /nfs/dbraw/zinc/20/31/49/1072203149.db2.gz VDDNOVFMYJYUMW-QGZVFWFLSA-N 1 2 443.570 -0.006 20 0 IBADLO CCCN(C(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916517 1072478881 /nfs/dbraw/zinc/47/88/81/1072478881.db2.gz GKLFERXRHQHUCS-DLBZAZTESA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916517 1072478878 /nfs/dbraw/zinc/47/88/78/1072478878.db2.gz GKLFERXRHQHUCS-DLBZAZTESA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916518 1072478719 /nfs/dbraw/zinc/47/87/19/1072478719.db2.gz GKLFERXRHQHUCS-IAGOWNOFSA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916518 1072478712 /nfs/dbraw/zinc/47/87/12/1072478712.db2.gz GKLFERXRHQHUCS-IAGOWNOFSA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916519 1072478795 /nfs/dbraw/zinc/47/87/95/1072478795.db2.gz GKLFERXRHQHUCS-IRXDYDNUSA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916519 1072478792 /nfs/dbraw/zinc/47/87/92/1072478792.db2.gz GKLFERXRHQHUCS-IRXDYDNUSA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916520 1072478856 /nfs/dbraw/zinc/47/88/56/1072478856.db2.gz GKLFERXRHQHUCS-SJORKVTESA-N 1 2 445.520 -0.003 20 0 IBADLO CCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000572916520 1072478852 /nfs/dbraw/zinc/47/88/52/1072478852.db2.gz GKLFERXRHQHUCS-SJORKVTESA-N 1 2 445.520 -0.003 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015528 1072480963 /nfs/dbraw/zinc/48/09/63/1072480963.db2.gz ITFQWYAKHPKKSK-JFIYKMOQSA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015528 1072480960 /nfs/dbraw/zinc/48/09/60/1072480960.db2.gz ITFQWYAKHPKKSK-JFIYKMOQSA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015529 1072480973 /nfs/dbraw/zinc/48/09/73/1072480973.db2.gz ITFQWYAKHPKKSK-NUJGCVRESA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015529 1072480969 /nfs/dbraw/zinc/48/09/69/1072480969.db2.gz ITFQWYAKHPKKSK-NUJGCVRESA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015530 1072480871 /nfs/dbraw/zinc/48/08/71/1072480871.db2.gz ITFQWYAKHPKKSK-RYRKJORJSA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015530 1072480863 /nfs/dbraw/zinc/48/08/63/1072480863.db2.gz ITFQWYAKHPKKSK-RYRKJORJSA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015531 1072480926 /nfs/dbraw/zinc/48/09/26/1072480926.db2.gz ITFQWYAKHPKKSK-SOLBZPMBSA-N 1 2 438.912 -0.069 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000573015531 1072480922 /nfs/dbraw/zinc/48/09/22/1072480922.db2.gz ITFQWYAKHPKKSK-SOLBZPMBSA-N 1 2 438.912 -0.069 20 0 IBADLO Cn1ncc(I)c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573028457 1072481685 /nfs/dbraw/zinc/48/16/85/1072481685.db2.gz RFBVHXZKCTVYEG-LLVKDONJSA-N 1 2 447.277 -0.312 20 0 IBADLO Cn1ncc(I)c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573028460 1072481558 /nfs/dbraw/zinc/48/15/58/1072481558.db2.gz RFBVHXZKCTVYEG-NSHDSACASA-N 1 2 447.277 -0.312 20 0 IBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000573174374 1072482836 /nfs/dbraw/zinc/48/28/36/1072482836.db2.gz VVTDDUBFRIADHK-UHFFFAOYSA-N 1 2 440.574 -0.878 20 0 IBADLO COc1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1S(N)(=O)=O ZINC000573243235 1073344205 /nfs/dbraw/zinc/34/42/05/1073344205.db2.gz DWHHHZWSAWPGDJ-UHFFFAOYSA-N 1 2 438.510 0.193 20 0 IBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573271585 1072230870 /nfs/dbraw/zinc/23/08/70/1072230870.db2.gz QWHDVMNIWSUGGT-IBGZPJMESA-N 1 2 439.538 -0.977 20 0 IBADLO C[C@]1(CO)CCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573271586 1072230941 /nfs/dbraw/zinc/23/09/41/1072230941.db2.gz QWHDVMNIWSUGGT-LJQANCHMSA-N 1 2 439.538 -0.977 20 0 IBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573272442 1072230743 /nfs/dbraw/zinc/23/07/43/1072230743.db2.gz ANNODGRISOHPAJ-INIZCTEOSA-N 1 2 432.525 -0.343 20 0 IBADLO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573272443 1072230809 /nfs/dbraw/zinc/23/08/09/1072230809.db2.gz ANNODGRISOHPAJ-MRXNPFEDSA-N 1 2 432.525 -0.343 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000573397989 1072485100 /nfs/dbraw/zinc/48/51/00/1072485100.db2.gz RBWZSYUHFHLOPU-AWEZNQCLSA-N 1 2 425.511 -0.295 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000573397991 1072485246 /nfs/dbraw/zinc/48/52/46/1072485246.db2.gz RBWZSYUHFHLOPU-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000573452703 1072485625 /nfs/dbraw/zinc/48/56/25/1072485625.db2.gz WRZNOWFTZOPGDZ-KRWDZBQOSA-N 1 2 441.554 -0.030 20 0 IBADLO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000573452705 1072485748 /nfs/dbraw/zinc/48/57/48/1072485748.db2.gz WRZNOWFTZOPGDZ-QGZVFWFLSA-N 1 2 441.554 -0.030 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000573464129 1072485605 /nfs/dbraw/zinc/48/56/05/1072485605.db2.gz LCDMAAJXAHOOKB-UHFFFAOYSA-N 1 2 426.539 -0.220 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000573464129 1072485601 /nfs/dbraw/zinc/48/56/01/1072485601.db2.gz LCDMAAJXAHOOKB-UHFFFAOYSA-N 1 2 426.539 -0.220 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000573510128 1072237965 /nfs/dbraw/zinc/23/79/65/1072237965.db2.gz VXDDYDLOMCTWFO-UHFFFAOYSA-N 1 2 432.587 -0.124 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000573510128 1072237957 /nfs/dbraw/zinc/23/79/57/1072237957.db2.gz VXDDYDLOMCTWFO-UHFFFAOYSA-N 1 2 432.587 -0.124 20 0 IBADLO CC(C)Nc1nc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc(NCCO)[nH+]1 ZINC000573587784 1072238824 /nfs/dbraw/zinc/23/88/24/1072238824.db2.gz TZNDYSQZTGJGAE-UHFFFAOYSA-N 1 2 433.488 -0.193 20 0 IBADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)CC2)cn1 ZINC000573595171 1072487407 /nfs/dbraw/zinc/48/74/07/1072487407.db2.gz DDGUFXGOYQFXEJ-GOSISDBHSA-N 1 2 428.541 -0.027 20 0 IBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)CC2)cn1 ZINC000573595171 1072487401 /nfs/dbraw/zinc/48/74/01/1072487401.db2.gz DDGUFXGOYQFXEJ-GOSISDBHSA-N 1 2 428.541 -0.027 20 0 IBADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3)CC2)cn1 ZINC000573595177 1072487387 /nfs/dbraw/zinc/48/73/87/1072487387.db2.gz DDGUFXGOYQFXEJ-SFHVURJKSA-N 1 2 428.541 -0.027 20 0 IBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3)CC2)cn1 ZINC000573595177 1072487379 /nfs/dbraw/zinc/48/73/79/1072487379.db2.gz DDGUFXGOYQFXEJ-SFHVURJKSA-N 1 2 428.541 -0.027 20 0 IBADLO Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)n1 ZINC000573630111 1072488011 /nfs/dbraw/zinc/48/80/11/1072488011.db2.gz PVJAACUZYHOIEP-GOSISDBHSA-N 1 2 430.509 -0.348 20 0 IBADLO Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)n1 ZINC000573630112 1072487920 /nfs/dbraw/zinc/48/79/20/1072487920.db2.gz PVJAACUZYHOIEP-SFHVURJKSA-N 1 2 430.509 -0.348 20 0 IBADLO CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000573631572 1072240055 /nfs/dbraw/zinc/24/00/55/1072240055.db2.gz FWXVVZNQBGEIRI-UHFFFAOYSA-N 1 2 431.497 -0.767 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000573704521 1072488592 /nfs/dbraw/zinc/48/85/92/1072488592.db2.gz KPIZIQJGVHTBIP-UHFFFAOYSA-N 1 2 439.557 -0.857 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000573704521 1072488588 /nfs/dbraw/zinc/48/85/88/1072488588.db2.gz KPIZIQJGVHTBIP-UHFFFAOYSA-N 1 2 439.557 -0.857 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(N2CCOCC2)c1 ZINC000573716570 1072488727 /nfs/dbraw/zinc/48/87/27/1072488727.db2.gz YWEZDBFZGPNWFP-IBGZPJMESA-N 1 2 434.537 -0.401 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(N2CCOCC2)c1 ZINC000573716571 1072489239 /nfs/dbraw/zinc/48/92/39/1072489239.db2.gz YWEZDBFZGPNWFP-LJQANCHMSA-N 1 2 434.537 -0.401 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000573820682 1072241580 /nfs/dbraw/zinc/24/15/80/1072241580.db2.gz UAZDGMWQRRJMRS-INIZCTEOSA-N 1 2 438.529 -0.667 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000573820691 1072241525 /nfs/dbraw/zinc/24/15/25/1072241525.db2.gz UAZDGMWQRRJMRS-MRXNPFEDSA-N 1 2 438.529 -0.667 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000573841895 1072490709 /nfs/dbraw/zinc/49/07/09/1072490709.db2.gz LNKMZFOOEBGBNV-INIZCTEOSA-N 1 2 449.556 -0.742 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000573841895 1072490703 /nfs/dbraw/zinc/49/07/03/1072490703.db2.gz LNKMZFOOEBGBNV-INIZCTEOSA-N 1 2 449.556 -0.742 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000573841896 1072490571 /nfs/dbraw/zinc/49/05/71/1072490571.db2.gz LNKMZFOOEBGBNV-MRXNPFEDSA-N 1 2 449.556 -0.742 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000573841896 1072490563 /nfs/dbraw/zinc/49/05/63/1072490563.db2.gz LNKMZFOOEBGBNV-MRXNPFEDSA-N 1 2 449.556 -0.742 20 0 IBADLO CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@H+]2Cc2ccccc2)CC1=O ZINC000573847158 1072490617 /nfs/dbraw/zinc/49/06/17/1072490617.db2.gz CSWMODRXBCOESR-CADBVGFASA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@@H+]2Cc2ccccc2)CC1=O ZINC000573847158 1072490615 /nfs/dbraw/zinc/49/06/15/1072490615.db2.gz CSWMODRXBCOESR-CADBVGFASA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CC(=O)N(C)C3)[N@H+]2Cc2ccccc2)CC1=O ZINC000573847159 1072490538 /nfs/dbraw/zinc/49/05/38/1072490538.db2.gz CSWMODRXBCOESR-MKXGPGLRSA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CC(=O)N(C)C3)[N@@H+]2Cc2ccccc2)CC1=O ZINC000573847159 1072490532 /nfs/dbraw/zinc/49/05/32/1072490532.db2.gz CSWMODRXBCOESR-MKXGPGLRSA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@H+]2Cc2ccccc2)CC1=O ZINC000573847160 1072490665 /nfs/dbraw/zinc/49/06/65/1072490665.db2.gz CSWMODRXBCOESR-QGFMHUBQSA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@@H+]2Cc2ccccc2)CC1=O ZINC000573847160 1072490659 /nfs/dbraw/zinc/49/06/59/1072490659.db2.gz CSWMODRXBCOESR-QGFMHUBQSA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@H+]2Cc2ccccc2)CC1=O ZINC000573847161 1072490733 /nfs/dbraw/zinc/49/07/33/1072490733.db2.gz CSWMODRXBCOESR-SEXKYXSUSA-N 1 2 441.532 -0.287 20 0 IBADLO CN1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC(=O)N(C)C3)[N@@H+]2Cc2ccccc2)CC1=O ZINC000573847161 1072490731 /nfs/dbraw/zinc/49/07/31/1072490731.db2.gz CSWMODRXBCOESR-SEXKYXSUSA-N 1 2 441.532 -0.287 20 0 IBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573851610 1072490755 /nfs/dbraw/zinc/49/07/55/1072490755.db2.gz SFCKSJYRNNOWSS-HNNXBMFYSA-N 1 2 444.941 -0.332 20 0 IBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573851613 1072490691 /nfs/dbraw/zinc/49/06/91/1072490691.db2.gz SFCKSJYRNNOWSS-OAHLLOKOSA-N 1 2 444.941 -0.332 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000574003453 1072247340 /nfs/dbraw/zinc/24/73/40/1072247340.db2.gz XVCXZPMYFVXVGK-LMMKCTJWSA-N 1 2 432.525 -0.431 20 0 IBADLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000574003454 1072247800 /nfs/dbraw/zinc/24/78/00/1072247800.db2.gz XVCXZPMYFVXVGK-SCTDSRPQSA-N 1 2 432.525 -0.431 20 0 IBADLO CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)CS(=O)(=O)CC ZINC000574026834 1073335097 /nfs/dbraw/zinc/33/50/97/1073335097.db2.gz GDTBYCFZYAIFJY-HNNXBMFYSA-N 1 2 429.543 -0.175 20 0 IBADLO CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)CS(=O)(=O)CC ZINC000574026835 1072492725 /nfs/dbraw/zinc/49/27/25/1072492725.db2.gz GDTBYCFZYAIFJY-OAHLLOKOSA-N 1 2 429.543 -0.175 20 0 IBADLO NC(=O)c1cccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000574059019 1072251642 /nfs/dbraw/zinc/25/16/42/1072251642.db2.gz DJBKXXKRIWIPTQ-UHFFFAOYSA-N 1 2 438.488 -0.348 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N(C)[C@@H](C)CO)cc2)CC1 ZINC000574063518 1072492708 /nfs/dbraw/zinc/49/27/08/1072492708.db2.gz DBLAABRBIMXEED-KRWDZBQOSA-N 1 2 434.537 -0.273 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000574069221 1072251035 /nfs/dbraw/zinc/25/10/35/1072251035.db2.gz OEJZBXYUVZOOLH-IBGZPJMESA-N 1 2 433.484 -0.178 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000574069223 1072493275 /nfs/dbraw/zinc/49/32/75/1072493275.db2.gz OEJZBXYUVZOOLH-LJQANCHMSA-N 1 2 433.484 -0.178 20 0 IBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000574177260 1072494695 /nfs/dbraw/zinc/49/46/95/1072494695.db2.gz LTOAGBGMCGMIGE-CVEARBPZSA-N 1 2 439.538 -0.667 20 0 IBADLO C[C@H]1C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000574177261 1072494786 /nfs/dbraw/zinc/49/47/86/1072494786.db2.gz LTOAGBGMCGMIGE-HOTGVXAUSA-N 1 2 439.538 -0.667 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000574177262 1072494896 /nfs/dbraw/zinc/49/48/96/1072494896.db2.gz LTOAGBGMCGMIGE-HZPDHXFCSA-N 1 2 439.538 -0.667 20 0 IBADLO C[C@H]1C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000574177263 1072494675 /nfs/dbraw/zinc/49/46/75/1072494675.db2.gz LTOAGBGMCGMIGE-JKSUJKDBSA-N 1 2 439.538 -0.667 20 0 IBADLO CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000574240717 1072495372 /nfs/dbraw/zinc/49/53/72/1072495372.db2.gz OZEADPRPGZEWEG-FQEVSTJZSA-N 1 2 431.497 -0.318 20 0 IBADLO CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000574240717 1072495365 /nfs/dbraw/zinc/49/53/65/1072495365.db2.gz OZEADPRPGZEWEG-FQEVSTJZSA-N 1 2 431.497 -0.318 20 0 IBADLO CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000574240723 1072495297 /nfs/dbraw/zinc/49/52/97/1072495297.db2.gz OZEADPRPGZEWEG-HXUWFJFHSA-N 1 2 431.497 -0.318 20 0 IBADLO CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000574240723 1072495287 /nfs/dbraw/zinc/49/52/87/1072495287.db2.gz OZEADPRPGZEWEG-HXUWFJFHSA-N 1 2 431.497 -0.318 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000574262882 1072252912 /nfs/dbraw/zinc/25/29/12/1072252912.db2.gz HRXYKXHMHXTLTE-UHFFFAOYSA-N 1 2 425.493 -0.739 20 0 IBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000574283614 1072253377 /nfs/dbraw/zinc/25/33/77/1072253377.db2.gz WEDPIPAEBLMCOF-HTAPYJJXSA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000574283622 1072253365 /nfs/dbraw/zinc/25/33/65/1072253365.db2.gz WEDPIPAEBLMCOF-JTSKRJEESA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000574283625 1072253443 /nfs/dbraw/zinc/25/34/43/1072253443.db2.gz WEDPIPAEBLMCOF-VGOFRKELSA-N 1 2 445.520 -0.357 20 0 IBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000574283628 1072253326 /nfs/dbraw/zinc/25/33/26/1072253326.db2.gz WEDPIPAEBLMCOF-VGSWGCGISA-N 1 2 445.520 -0.357 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)nc1 ZINC000574300076 1072255804 /nfs/dbraw/zinc/25/58/04/1072255804.db2.gz INOBBZJNEADCDO-UHFFFAOYSA-N 1 2 425.493 -0.279 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000574311144 1072496626 /nfs/dbraw/zinc/49/66/26/1072496626.db2.gz ZKJSTMCMLVLEHT-GOSISDBHSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000574311144 1072496621 /nfs/dbraw/zinc/49/66/21/1072496621.db2.gz ZKJSTMCMLVLEHT-GOSISDBHSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000574311146 1072496730 /nfs/dbraw/zinc/49/67/30/1072496730.db2.gz ZKJSTMCMLVLEHT-SFHVURJKSA-N 1 2 447.584 -0.092 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000574311146 1072496723 /nfs/dbraw/zinc/49/67/23/1072496723.db2.gz ZKJSTMCMLVLEHT-SFHVURJKSA-N 1 2 447.584 -0.092 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000574483528 1072499276 /nfs/dbraw/zinc/49/92/76/1072499276.db2.gz SZIOEUMGJPQHSB-BJLQDIEVSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000574483528 1072499270 /nfs/dbraw/zinc/49/92/70/1072499270.db2.gz SZIOEUMGJPQHSB-BJLQDIEVSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000574483529 1072499159 /nfs/dbraw/zinc/49/91/59/1072499159.db2.gz SZIOEUMGJPQHSB-GGPKGHCWSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000574483529 1072499152 /nfs/dbraw/zinc/49/91/52/1072499152.db2.gz SZIOEUMGJPQHSB-GGPKGHCWSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000574483530 1072498941 /nfs/dbraw/zinc/49/89/41/1072498941.db2.gz SZIOEUMGJPQHSB-HBFSDRIKSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000574483530 1072498935 /nfs/dbraw/zinc/49/89/35/1072498935.db2.gz SZIOEUMGJPQHSB-HBFSDRIKSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000574483531 1072499205 /nfs/dbraw/zinc/49/92/05/1072499205.db2.gz SZIOEUMGJPQHSB-NSHGMRRFSA-N 1 2 432.521 -0.024 20 0 IBADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000574483531 1072499196 /nfs/dbraw/zinc/49/91/96/1072499196.db2.gz SZIOEUMGJPQHSB-NSHGMRRFSA-N 1 2 432.521 -0.024 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000574508202 1072499254 /nfs/dbraw/zinc/49/92/54/1072499254.db2.gz LBELBWDJGLKCGO-BBWFWOEESA-N 1 2 434.541 -0.405 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000574508202 1072499251 /nfs/dbraw/zinc/49/92/51/1072499251.db2.gz LBELBWDJGLKCGO-BBWFWOEESA-N 1 2 434.541 -0.405 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000574508203 1072498908 /nfs/dbraw/zinc/49/89/08/1072498908.db2.gz LBELBWDJGLKCGO-IXDOHACOSA-N 1 2 434.541 -0.405 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000574508203 1072498903 /nfs/dbraw/zinc/49/89/03/1072498903.db2.gz LBELBWDJGLKCGO-IXDOHACOSA-N 1 2 434.541 -0.405 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCn3ncn(C)c3=O)cc2)CC1 ZINC000574545514 1072260911 /nfs/dbraw/zinc/26/09/11/1072260911.db2.gz OPODQQLFJIXPNW-UHFFFAOYSA-N 1 2 444.536 -0.126 20 0 IBADLO CC(C)n1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000574569780 1072262017 /nfs/dbraw/zinc/26/20/17/1072262017.db2.gz CGOUMFFRHSRHFK-UHFFFAOYSA-N 1 2 427.531 -0.961 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000574592215 1072499710 /nfs/dbraw/zinc/49/97/10/1072499710.db2.gz BRRDLSGVDXGCKI-INIZCTEOSA-N 1 2 448.611 -0.806 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000574592216 1072499894 /nfs/dbraw/zinc/49/98/94/1072499894.db2.gz BRRDLSGVDXGCKI-MRXNPFEDSA-N 1 2 448.611 -0.806 20 0 IBADLO Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000574592331 1072261334 /nfs/dbraw/zinc/26/13/34/1072261334.db2.gz FGWYQMMKKAIWJE-AEFFLSMTSA-N 1 2 440.552 -0.013 20 0 IBADLO Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000574592332 1072261509 /nfs/dbraw/zinc/26/15/09/1072261509.db2.gz FGWYQMMKKAIWJE-FUHWJXTLSA-N 1 2 440.552 -0.013 20 0 IBADLO Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000574592333 1072261436 /nfs/dbraw/zinc/26/14/36/1072261436.db2.gz FGWYQMMKKAIWJE-SJLPKXTDSA-N 1 2 440.552 -0.013 20 0 IBADLO Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000574592334 1072261303 /nfs/dbraw/zinc/26/13/03/1072261303.db2.gz FGWYQMMKKAIWJE-WMZOPIPTSA-N 1 2 440.552 -0.013 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000574626089 1072262463 /nfs/dbraw/zinc/26/24/63/1072262463.db2.gz ZAPRMKQRBZHGBL-CVEARBPZSA-N 1 2 428.559 0.445 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000574626090 1073351166 /nfs/dbraw/zinc/35/11/66/1073351166.db2.gz ZAPRMKQRBZHGBL-HOTGVXAUSA-N 1 2 428.559 0.445 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000574626091 1072262428 /nfs/dbraw/zinc/26/24/28/1072262428.db2.gz ZAPRMKQRBZHGBL-HZPDHXFCSA-N 1 2 428.559 0.445 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000574626092 1072262405 /nfs/dbraw/zinc/26/24/05/1072262405.db2.gz ZAPRMKQRBZHGBL-JKSUJKDBSA-N 1 2 428.559 0.445 20 0 IBADLO Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)n(C)n1 ZINC000574633070 1072262975 /nfs/dbraw/zinc/26/29/75/1072262975.db2.gz ARBWGFDLYNSGLQ-KRWDZBQOSA-N 1 2 444.540 -0.019 20 0 IBADLO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)n(C)n1 ZINC000574633080 1072263035 /nfs/dbraw/zinc/26/30/35/1072263035.db2.gz ARBWGFDLYNSGLQ-QGZVFWFLSA-N 1 2 444.540 -0.019 20 0 IBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H]1CCCO1 ZINC000574643066 1072262898 /nfs/dbraw/zinc/26/28/98/1072262898.db2.gz ODLUEIWIPYEFSC-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H]1CCCO1 ZINC000574643066 1072262889 /nfs/dbraw/zinc/26/28/89/1072262889.db2.gz ODLUEIWIPYEFSC-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H]1CCCO1 ZINC000574643067 1072262924 /nfs/dbraw/zinc/26/29/24/1072262924.db2.gz ODLUEIWIPYEFSC-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H]1CCCO1 ZINC000574643067 1072262915 /nfs/dbraw/zinc/26/29/15/1072262915.db2.gz ODLUEIWIPYEFSC-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H]1CCCO1 ZINC000574643068 1072263083 /nfs/dbraw/zinc/26/30/83/1072263083.db2.gz ODLUEIWIPYEFSC-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000574643068 1072263075 /nfs/dbraw/zinc/26/30/75/1072263075.db2.gz ODLUEIWIPYEFSC-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H]1CCCO1 ZINC000574643069 1072263167 /nfs/dbraw/zinc/26/31/67/1072263167.db2.gz ODLUEIWIPYEFSC-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000574643069 1072263156 /nfs/dbraw/zinc/26/31/56/1072263156.db2.gz ODLUEIWIPYEFSC-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000574681326 1072501566 /nfs/dbraw/zinc/50/15/66/1072501566.db2.gz PQMOCSCWNVWOLP-AWEZNQCLSA-N 1 2 449.489 -0.060 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000574681347 1072501539 /nfs/dbraw/zinc/50/15/39/1072501539.db2.gz PQMOCSCWNVWOLP-CQSZACIVSA-N 1 2 449.489 -0.060 20 0 IBADLO Cn1ccc(=O)n(CCCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000574719462 1072264114 /nfs/dbraw/zinc/26/41/14/1072264114.db2.gz YFOLDZXJWVAQLL-UHFFFAOYSA-N 1 2 428.493 -0.423 20 0 IBADLO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)C2 ZINC000574775807 1072502545 /nfs/dbraw/zinc/50/25/45/1072502545.db2.gz NJYHXMSUVSRSQR-HNNXBMFYSA-N 1 2 435.492 -0.216 20 0 IBADLO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)C2 ZINC000574775809 1072502648 /nfs/dbraw/zinc/50/26/48/1072502648.db2.gz NJYHXMSUVSRSQR-OAHLLOKOSA-N 1 2 435.492 -0.216 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000574793241 1072503079 /nfs/dbraw/zinc/50/30/79/1072503079.db2.gz VCLHSJOWMJRSHB-HNNXBMFYSA-N 1 2 426.514 -0.774 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000574793241 1072503068 /nfs/dbraw/zinc/50/30/68/1072503068.db2.gz VCLHSJOWMJRSHB-HNNXBMFYSA-N 1 2 426.514 -0.774 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000574793245 1072502951 /nfs/dbraw/zinc/50/29/51/1072502951.db2.gz VCLHSJOWMJRSHB-OAHLLOKOSA-N 1 2 426.514 -0.774 20 0 IBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000574793245 1072502938 /nfs/dbraw/zinc/50/29/38/1072502938.db2.gz VCLHSJOWMJRSHB-OAHLLOKOSA-N 1 2 426.514 -0.774 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000574825404 1072266303 /nfs/dbraw/zinc/26/63/03/1072266303.db2.gz DOXZMIMLEKJHSO-INIZCTEOSA-N 1 2 428.555 -0.806 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000574825407 1072266358 /nfs/dbraw/zinc/26/63/58/1072266358.db2.gz DOXZMIMLEKJHSO-MRXNPFEDSA-N 1 2 428.555 -0.806 20 0 IBADLO COCCO[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000574933427 1072504175 /nfs/dbraw/zinc/50/41/75/1072504175.db2.gz QOJNBTREMNNKEY-GOSISDBHSA-N 1 2 447.536 -0.110 20 0 IBADLO COCCO[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000574933428 1072504133 /nfs/dbraw/zinc/50/41/33/1072504133.db2.gz QOJNBTREMNNKEY-SFHVURJKSA-N 1 2 447.536 -0.110 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)CC1 ZINC000574961053 1072504647 /nfs/dbraw/zinc/50/46/47/1072504647.db2.gz FVLPGZFIZDGOIN-UHFFFAOYSA-N 1 2 426.558 -0.447 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000575030617 1072268485 /nfs/dbraw/zinc/26/84/85/1072268485.db2.gz MRHNHIGYJLHWJM-INIZCTEOSA-N 1 2 446.508 -0.697 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000575030617 1072268474 /nfs/dbraw/zinc/26/84/74/1072268474.db2.gz MRHNHIGYJLHWJM-INIZCTEOSA-N 1 2 446.508 -0.697 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000575030618 1072268375 /nfs/dbraw/zinc/26/83/75/1072268375.db2.gz MRHNHIGYJLHWJM-MRXNPFEDSA-N 1 2 446.508 -0.697 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000575030618 1072268369 /nfs/dbraw/zinc/26/83/69/1072268369.db2.gz MRHNHIGYJLHWJM-MRXNPFEDSA-N 1 2 446.508 -0.697 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000575031920 1072505165 /nfs/dbraw/zinc/50/51/65/1072505165.db2.gz DALXULMBZITRQT-KRWDZBQOSA-N 1 2 438.550 -0.369 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000575031923 1072505193 /nfs/dbraw/zinc/50/51/93/1072505193.db2.gz DALXULMBZITRQT-QGZVFWFLSA-N 1 2 438.550 -0.369 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000575093899 1072505668 /nfs/dbraw/zinc/50/56/68/1072505668.db2.gz FLVKPELZLFBMRA-KRWDZBQOSA-N 1 2 431.518 -0.012 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000575093900 1072505591 /nfs/dbraw/zinc/50/55/91/1072505591.db2.gz FLVKPELZLFBMRA-QGZVFWFLSA-N 1 2 431.518 -0.012 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000575162109 1072506069 /nfs/dbraw/zinc/50/60/69/1072506069.db2.gz MMIWDJKHUWRWQX-AWEZNQCLSA-N 1 2 441.517 -0.272 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000575162110 1072506041 /nfs/dbraw/zinc/50/60/41/1072506041.db2.gz MMIWDJKHUWRWQX-CQSZACIVSA-N 1 2 441.517 -0.272 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000575204997 1072270777 /nfs/dbraw/zinc/27/07/77/1072270777.db2.gz MZPKHQUCHDKRFU-UHFFFAOYSA-N 1 2 427.509 -0.018 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000575240069 1072507705 /nfs/dbraw/zinc/50/77/05/1072507705.db2.gz ISCVDGRVTYXKBX-UHFFFAOYSA-N 1 2 439.538 -0.703 20 0 IBADLO O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000575460306 1072508814 /nfs/dbraw/zinc/50/88/14/1072508814.db2.gz ZHMCYDIPCCOXFL-INIZCTEOSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000575460306 1072508806 /nfs/dbraw/zinc/50/88/06/1072508806.db2.gz ZHMCYDIPCCOXFL-INIZCTEOSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000575460307 1072508515 /nfs/dbraw/zinc/50/85/15/1072508515.db2.gz ZHMCYDIPCCOXFL-MRXNPFEDSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000575460307 1072508500 /nfs/dbraw/zinc/50/85/00/1072508500.db2.gz ZHMCYDIPCCOXFL-MRXNPFEDSA-N 1 2 438.554 -0.030 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000575819358 1072510210 /nfs/dbraw/zinc/51/02/10/1072510210.db2.gz WLJYYMUQTNJPOK-UHFFFAOYSA-N 1 2 446.957 -0.085 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000575819733 1072510243 /nfs/dbraw/zinc/51/02/43/1072510243.db2.gz FVVXPODHUDKMBE-UHFFFAOYSA-N 1 2 443.483 -0.600 20 0 IBADLO CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)C(=O)N1CCOCC1 ZINC000575829431 1072510789 /nfs/dbraw/zinc/51/07/89/1072510789.db2.gz YHKRQNVWOVUIRQ-KRWDZBQOSA-N 1 2 439.557 -0.857 20 0 IBADLO CC[C@H](NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)C(=O)N1CCOCC1 ZINC000575829431 1072510779 /nfs/dbraw/zinc/51/07/79/1072510779.db2.gz YHKRQNVWOVUIRQ-KRWDZBQOSA-N 1 2 439.557 -0.857 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)C(=O)N1CCOCC1 ZINC000575829432 1072510692 /nfs/dbraw/zinc/51/06/92/1072510692.db2.gz YHKRQNVWOVUIRQ-QGZVFWFLSA-N 1 2 439.557 -0.857 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)C(=O)N1CCOCC1 ZINC000575829432 1072510683 /nfs/dbraw/zinc/51/06/83/1072510683.db2.gz YHKRQNVWOVUIRQ-QGZVFWFLSA-N 1 2 439.557 -0.857 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1=O ZINC000575887639 1072511653 /nfs/dbraw/zinc/51/16/53/1072511653.db2.gz FKCHVORGENHYIY-UHFFFAOYSA-N 1 2 449.527 -0.229 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000575901450 1072512352 /nfs/dbraw/zinc/51/23/52/1072512352.db2.gz KZLNZJDYQAEIKC-INIZCTEOSA-N 1 2 438.491 -0.082 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000575901451 1072512249 /nfs/dbraw/zinc/51/22/49/1072512249.db2.gz KZLNZJDYQAEIKC-MRXNPFEDSA-N 1 2 438.491 -0.082 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCOCC1 ZINC000576057029 1072515418 /nfs/dbraw/zinc/51/54/18/1072515418.db2.gz FNSUWQQTBYTOAG-GOSISDBHSA-N 1 2 446.552 -0.308 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCOCC1 ZINC000576057030 1072515511 /nfs/dbraw/zinc/51/55/11/1072515511.db2.gz FNSUWQQTBYTOAG-SFHVURJKSA-N 1 2 446.552 -0.308 20 0 IBADLO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cnn1C ZINC000576135897 1072516790 /nfs/dbraw/zinc/51/67/90/1072516790.db2.gz FAAHWUGBDMSCGO-HNNXBMFYSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cnn1C ZINC000576135897 1072516781 /nfs/dbraw/zinc/51/67/81/1072516781.db2.gz FAAHWUGBDMSCGO-HNNXBMFYSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cnn1C ZINC000576135898 1072516690 /nfs/dbraw/zinc/51/66/90/1072516690.db2.gz FAAHWUGBDMSCGO-OAHLLOKOSA-N 1 2 442.524 -0.119 20 0 IBADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cnn1C ZINC000576135898 1072516678 /nfs/dbraw/zinc/51/66/78/1072516678.db2.gz FAAHWUGBDMSCGO-OAHLLOKOSA-N 1 2 442.524 -0.119 20 0 IBADLO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000576181606 1072517185 /nfs/dbraw/zinc/51/71/85/1072517185.db2.gz WYELYILATKJJPR-CRAIPNDOSA-N 1 2 427.513 -0.349 20 0 IBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1=O ZINC000576213162 1072518294 /nfs/dbraw/zinc/51/82/94/1072518294.db2.gz DNGBJMODJZQSIM-UHFFFAOYSA-N 1 2 435.488 -0.010 20 0 IBADLO CNc1nc(C)cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000576214069 1073320664 /nfs/dbraw/zinc/32/06/64/1073320664.db2.gz GJABAEUSQMVLLJ-HNNXBMFYSA-N 1 2 426.525 0.403 20 0 IBADLO CNc1nc(C)cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000576214070 1073320760 /nfs/dbraw/zinc/32/07/60/1073320760.db2.gz GJABAEUSQMVLLJ-OAHLLOKOSA-N 1 2 426.525 0.403 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000576270893 1072519079 /nfs/dbraw/zinc/51/90/79/1072519079.db2.gz KYNWNFWWLDIEOT-UHFFFAOYSA-N 1 2 435.510 -0.641 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000576282532 1072519302 /nfs/dbraw/zinc/51/93/02/1072519302.db2.gz JFGPUYRWKNGGSC-DLBZAZTESA-N 1 2 436.513 -0.656 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000576282533 1072519048 /nfs/dbraw/zinc/51/90/48/1072519048.db2.gz JFGPUYRWKNGGSC-IAGOWNOFSA-N 1 2 436.513 -0.656 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000576282534 1072519399 /nfs/dbraw/zinc/51/93/99/1072519399.db2.gz JFGPUYRWKNGGSC-IRXDYDNUSA-N 1 2 436.513 -0.656 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000576282535 1072519247 /nfs/dbraw/zinc/51/92/47/1072519247.db2.gz JFGPUYRWKNGGSC-SJORKVTESA-N 1 2 436.513 -0.656 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)CC3)CC1 ZINC000576356130 1072520193 /nfs/dbraw/zinc/52/01/93/1072520193.db2.gz RTIMNBGZBZUGMW-AWEZNQCLSA-N 1 2 425.493 -0.243 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)CC3)CC1 ZINC000576356131 1072520230 /nfs/dbraw/zinc/52/02/30/1072520230.db2.gz RTIMNBGZBZUGMW-CQSZACIVSA-N 1 2 425.493 -0.243 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000576552781 1072523496 /nfs/dbraw/zinc/52/34/96/1072523496.db2.gz NOEPVNIBSCZJRG-KRWDZBQOSA-N 1 2 438.956 -0.034 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000576552784 1072523482 /nfs/dbraw/zinc/52/34/82/1072523482.db2.gz NOEPVNIBSCZJRG-QGZVFWFLSA-N 1 2 438.956 -0.034 20 0 IBADLO COc1cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1OCC(N)=O ZINC000576750354 1072527157 /nfs/dbraw/zinc/52/71/57/1072527157.db2.gz YTZXJEKGLBUVED-UHFFFAOYSA-N 1 2 430.527 -0.118 20 0 IBADLO COc1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1OCC(N)=O ZINC000576750354 1072527151 /nfs/dbraw/zinc/52/71/51/1072527151.db2.gz YTZXJEKGLBUVED-UHFFFAOYSA-N 1 2 430.527 -0.118 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000576777465 1072528188 /nfs/dbraw/zinc/52/81/88/1072528188.db2.gz RXNIBUPACYHEMI-DLBZAZTESA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000576777465 1072528185 /nfs/dbraw/zinc/52/81/85/1072528185.db2.gz RXNIBUPACYHEMI-DLBZAZTESA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000576777466 1072528055 /nfs/dbraw/zinc/52/80/55/1072528055.db2.gz RXNIBUPACYHEMI-IAGOWNOFSA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000576777466 1072528050 /nfs/dbraw/zinc/52/80/50/1072528050.db2.gz RXNIBUPACYHEMI-IAGOWNOFSA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000576777467 1072528086 /nfs/dbraw/zinc/52/80/86/1072528086.db2.gz RXNIBUPACYHEMI-IRXDYDNUSA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000576777467 1072528079 /nfs/dbraw/zinc/52/80/79/1072528079.db2.gz RXNIBUPACYHEMI-IRXDYDNUSA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000576777468 1072528123 /nfs/dbraw/zinc/52/81/23/1072528123.db2.gz RXNIBUPACYHEMI-SJORKVTESA-N 1 2 432.525 -0.061 20 0 IBADLO COC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000576777468 1072528116 /nfs/dbraw/zinc/52/81/16/1072528116.db2.gz RXNIBUPACYHEMI-SJORKVTESA-N 1 2 432.525 -0.061 20 0 IBADLO CCN(CC)C(=O)c1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000576850478 1071634405 /nfs/dbraw/zinc/63/44/05/1071634405.db2.gz DXIHKCIFOPKBJE-IBGZPJMESA-N 1 2 434.537 -0.064 20 0 IBADLO CCN(CC)C(=O)c1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000576850479 1071634420 /nfs/dbraw/zinc/63/44/20/1071634420.db2.gz DXIHKCIFOPKBJE-LJQANCHMSA-N 1 2 434.537 -0.064 20 0 IBADLO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000576906592 1072530211 /nfs/dbraw/zinc/53/02/11/1072530211.db2.gz KYSJHUOGOWVDJL-UHFFFAOYSA-N 1 2 425.507 -0.371 20 0 IBADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000576976435 1072531486 /nfs/dbraw/zinc/53/14/86/1072531486.db2.gz BSDAUXKLPAFRDP-CVEARBPZSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000576976436 1072531429 /nfs/dbraw/zinc/53/14/29/1072531429.db2.gz BSDAUXKLPAFRDP-HOTGVXAUSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000576976437 1072531444 /nfs/dbraw/zinc/53/14/44/1072531444.db2.gz BSDAUXKLPAFRDP-HZPDHXFCSA-N 1 2 434.493 -0.932 20 0 IBADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000576976438 1072531363 /nfs/dbraw/zinc/53/13/63/1072531363.db2.gz BSDAUXKLPAFRDP-JKSUJKDBSA-N 1 2 434.493 -0.932 20 0 IBADLO Cc1cnc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000576978209 1072531509 /nfs/dbraw/zinc/53/15/09/1072531509.db2.gz ALMKOZGYFHHATM-UHFFFAOYSA-N 1 2 440.508 -0.581 20 0 IBADLO Cc1cnc(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000576978209 1072531502 /nfs/dbraw/zinc/53/15/02/1072531502.db2.gz ALMKOZGYFHHATM-UHFFFAOYSA-N 1 2 440.508 -0.581 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)cc[nH+]1 ZINC000576998797 1072531928 /nfs/dbraw/zinc/53/19/28/1072531928.db2.gz NXBGZVBRINYKLU-QAPCUYQASA-N 1 2 426.481 -0.697 20 0 IBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H](C)O1 ZINC000577049030 1072533010 /nfs/dbraw/zinc/53/30/10/1072533010.db2.gz OPBKCLBBBHDFAW-GASCZTMLSA-N 1 2 433.509 -0.250 20 0 IBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H](C)O1 ZINC000577049030 1072533001 /nfs/dbraw/zinc/53/30/01/1072533001.db2.gz OPBKCLBBBHDFAW-GASCZTMLSA-N 1 2 433.509 -0.250 20 0 IBADLO NC(=O)c1ccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000577049665 1072532704 /nfs/dbraw/zinc/53/27/04/1072532704.db2.gz UDOSOJINSAXWIP-UHFFFAOYSA-N 1 2 428.468 -0.126 20 0 IBADLO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577081612 1072533660 /nfs/dbraw/zinc/53/36/60/1072533660.db2.gz QNEMVUXZVDACSU-CVEARBPZSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@@H]1OCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000577081613 1072533645 /nfs/dbraw/zinc/53/36/45/1072533645.db2.gz QNEMVUXZVDACSU-HOTGVXAUSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@H]1OCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000577081614 1072533455 /nfs/dbraw/zinc/53/34/55/1072533455.db2.gz QNEMVUXZVDACSU-HZPDHXFCSA-N 1 2 439.538 -0.715 20 0 IBADLO C[C@H]1OCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000577081615 1072533694 /nfs/dbraw/zinc/53/36/94/1072533694.db2.gz QNEMVUXZVDACSU-JKSUJKDBSA-N 1 2 439.538 -0.715 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@H](C)C1 ZINC000577095155 1072533561 /nfs/dbraw/zinc/53/35/61/1072533561.db2.gz MKFXLUXQVWAQPM-AEFFLSMTSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@H](C)C1 ZINC000577095155 1072533556 /nfs/dbraw/zinc/53/35/56/1072533556.db2.gz MKFXLUXQVWAQPM-AEFFLSMTSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](C)C1 ZINC000577095170 1072534049 /nfs/dbraw/zinc/53/40/49/1072534049.db2.gz MKFXLUXQVWAQPM-FUHWJXTLSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](C)C1 ZINC000577095170 1072534040 /nfs/dbraw/zinc/53/40/40/1072534040.db2.gz MKFXLUXQVWAQPM-FUHWJXTLSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@H](C)C1 ZINC000577095173 1072534129 /nfs/dbraw/zinc/53/41/29/1072534129.db2.gz MKFXLUXQVWAQPM-SJLPKXTDSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@H](C)C1 ZINC000577095173 1072534117 /nfs/dbraw/zinc/53/41/17/1072534117.db2.gz MKFXLUXQVWAQPM-SJLPKXTDSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](C)C1 ZINC000577095176 1072534295 /nfs/dbraw/zinc/53/42/95/1072534295.db2.gz MKFXLUXQVWAQPM-WMZOPIPTSA-N 1 2 445.520 -0.215 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](C)C1 ZINC000577095176 1072534291 /nfs/dbraw/zinc/53/42/91/1072534291.db2.gz MKFXLUXQVWAQPM-WMZOPIPTSA-N 1 2 445.520 -0.215 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000577138880 1072534870 /nfs/dbraw/zinc/53/48/70/1072534870.db2.gz XJNXXBMYHBXBLK-DLBZAZTESA-N 1 2 434.541 -0.187 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000577138881 1072534758 /nfs/dbraw/zinc/53/47/58/1072534758.db2.gz XJNXXBMYHBXBLK-IAGOWNOFSA-N 1 2 434.541 -0.187 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000577138882 1072534974 /nfs/dbraw/zinc/53/49/74/1072534974.db2.gz XJNXXBMYHBXBLK-IRXDYDNUSA-N 1 2 434.541 -0.187 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000577138883 1072534934 /nfs/dbraw/zinc/53/49/34/1072534934.db2.gz XJNXXBMYHBXBLK-SJORKVTESA-N 1 2 434.541 -0.187 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(C(N)=O)n2)CC3)CC1 ZINC000577205842 1072535761 /nfs/dbraw/zinc/53/57/61/1072535761.db2.gz GDWANKMTHPUJEM-AWEZNQCLSA-N 1 2 425.493 -0.243 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(C(N)=O)n2)CC3)CC1 ZINC000577205843 1072535741 /nfs/dbraw/zinc/53/57/41/1072535741.db2.gz GDWANKMTHPUJEM-CQSZACIVSA-N 1 2 425.493 -0.243 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H]1CO ZINC000577283569 1072536917 /nfs/dbraw/zinc/53/69/17/1072536917.db2.gz ACGZSELFQGGVQR-IKGGRYGDSA-N 1 2 432.525 -0.515 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H]1CO ZINC000577283569 1072536913 /nfs/dbraw/zinc/53/69/13/1072536913.db2.gz ACGZSELFQGGVQR-IKGGRYGDSA-N 1 2 432.525 -0.515 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H]1CO ZINC000577283572 1072537411 /nfs/dbraw/zinc/53/74/11/1072537411.db2.gz ACGZSELFQGGVQR-IXDOHACOSA-N 1 2 432.525 -0.515 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H]1CO ZINC000577283572 1072537398 /nfs/dbraw/zinc/53/73/98/1072537398.db2.gz ACGZSELFQGGVQR-IXDOHACOSA-N 1 2 432.525 -0.515 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCN1CCCC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577301664 1072537773 /nfs/dbraw/zinc/53/77/73/1072537773.db2.gz JJCKFIXHTKWRGT-UHFFFAOYSA-N 1 2 430.509 -0.635 20 0 IBADLO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000577302178 1072537830 /nfs/dbraw/zinc/53/78/30/1072537830.db2.gz IOJHNQMUOJUOAL-APWZRJJASA-N 1 2 434.537 -0.017 20 0 IBADLO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000577302179 1072537974 /nfs/dbraw/zinc/53/79/74/1072537974.db2.gz IOJHNQMUOJUOAL-LPHOPBHVSA-N 1 2 434.537 -0.017 20 0 IBADLO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000577302180 1072537843 /nfs/dbraw/zinc/53/78/43/1072537843.db2.gz IOJHNQMUOJUOAL-QFBILLFUSA-N 1 2 434.537 -0.017 20 0 IBADLO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000577302181 1072538353 /nfs/dbraw/zinc/53/83/53/1072538353.db2.gz IOJHNQMUOJUOAL-VQIMIIECSA-N 1 2 434.537 -0.017 20 0 IBADLO Cc1cnc([C@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000577359377 1072539534 /nfs/dbraw/zinc/53/95/34/1072539534.db2.gz GPGQFWNJJJYODP-AWEZNQCLSA-N 1 2 444.583 -0.735 20 0 IBADLO Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000577359378 1072539620 /nfs/dbraw/zinc/53/96/20/1072539620.db2.gz GPGQFWNJJJYODP-CQSZACIVSA-N 1 2 444.583 -0.735 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000577415056 1072540220 /nfs/dbraw/zinc/54/02/20/1072540220.db2.gz MOGCODNLLJITQJ-INIZCTEOSA-N 1 2 425.493 -0.229 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000577415058 1072540356 /nfs/dbraw/zinc/54/03/56/1072540356.db2.gz MOGCODNLLJITQJ-MRXNPFEDSA-N 1 2 425.493 -0.229 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000577472325 1072541909 /nfs/dbraw/zinc/54/19/09/1072541909.db2.gz HUEYMZMQCFSQCY-GOSISDBHSA-N 1 2 432.569 -0.065 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000577472334 1072541954 /nfs/dbraw/zinc/54/19/54/1072541954.db2.gz HUEYMZMQCFSQCY-SFHVURJKSA-N 1 2 432.569 -0.065 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000577476735 1072542050 /nfs/dbraw/zinc/54/20/50/1072542050.db2.gz QLOYPZSQBYORQB-AWEZNQCLSA-N 1 2 427.885 -0.121 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000577476736 1072541981 /nfs/dbraw/zinc/54/19/81/1072541981.db2.gz QLOYPZSQBYORQB-CQSZACIVSA-N 1 2 427.885 -0.121 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1OC ZINC000577489887 1072542464 /nfs/dbraw/zinc/54/24/64/1072542464.db2.gz WBNOWEKIOXGTRZ-HNNXBMFYSA-N 1 2 425.482 -0.520 20 0 IBADLO COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1OC ZINC000577489888 1072542435 /nfs/dbraw/zinc/54/24/35/1072542435.db2.gz WBNOWEKIOXGTRZ-OAHLLOKOSA-N 1 2 425.482 -0.520 20 0 IBADLO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000577522991 1072542512 /nfs/dbraw/zinc/54/25/12/1072542512.db2.gz XRTHFPCBFYYJGH-HNNXBMFYSA-N 1 2 435.477 -0.263 20 0 IBADLO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000577522992 1072542357 /nfs/dbraw/zinc/54/23/57/1072542357.db2.gz XRTHFPCBFYYJGH-OAHLLOKOSA-N 1 2 435.477 -0.263 20 0 IBADLO CCc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)ncn1 ZINC000577557012 1072543605 /nfs/dbraw/zinc/54/36/05/1072543605.db2.gz RJDKXRZSJDLPPZ-GOSISDBHSA-N 1 2 434.541 -0.725 20 0 IBADLO CCc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)ncn1 ZINC000577557013 1072543659 /nfs/dbraw/zinc/54/36/59/1072543659.db2.gz RJDKXRZSJDLPPZ-SFHVURJKSA-N 1 2 434.541 -0.725 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000577588671 1072544681 /nfs/dbraw/zinc/54/46/81/1072544681.db2.gz MUCOIKABOPTXKF-CYBMUJFWSA-N 1 2 444.435 -0.481 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000577588672 1072544662 /nfs/dbraw/zinc/54/46/62/1072544662.db2.gz MUCOIKABOPTXKF-ZDUSSCGKSA-N 1 2 444.435 -0.481 20 0 IBADLO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000577642876 1072545778 /nfs/dbraw/zinc/54/57/78/1072545778.db2.gz YLQXRZQKVQCCON-HNNXBMFYSA-N 1 2 449.537 -0.740 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000577642877 1072546038 /nfs/dbraw/zinc/54/60/38/1072546038.db2.gz YLQXRZQKVQCCON-OAHLLOKOSA-N 1 2 449.537 -0.740 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000577818409 1072550994 /nfs/dbraw/zinc/55/09/94/1072550994.db2.gz OUQFZQXHDQRLES-INIZCTEOSA-N 1 2 440.522 -0.783 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000577818410 1072551018 /nfs/dbraw/zinc/55/10/18/1072551018.db2.gz OUQFZQXHDQRLES-MRXNPFEDSA-N 1 2 440.522 -0.783 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000577895408 1072552803 /nfs/dbraw/zinc/55/28/03/1072552803.db2.gz IQQTTXMTGRPVFE-KRWDZBQOSA-N 1 2 437.928 -0.448 20 0 IBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000577895409 1072552743 /nfs/dbraw/zinc/55/27/43/1072552743.db2.gz IQQTTXMTGRPVFE-QGZVFWFLSA-N 1 2 437.928 -0.448 20 0 IBADLO NC(=O)c1ccc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cn1 ZINC000577899372 1072552783 /nfs/dbraw/zinc/55/27/83/1072552783.db2.gz SHRPBDMFCRJWGO-UHFFFAOYSA-N 1 2 441.488 -0.176 20 0 IBADLO CSC1(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000577983689 1072554452 /nfs/dbraw/zinc/55/44/52/1072554452.db2.gz KVIBTZRGGDILDA-UHFFFAOYSA-N 1 2 433.600 -0.975 20 0 IBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578031007 1072555050 /nfs/dbraw/zinc/55/50/50/1072555050.db2.gz AOIVCKUMHKVDAI-UHFFFAOYSA-N 1 2 439.582 -0.287 20 0 IBADLO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000578059337 1072555688 /nfs/dbraw/zinc/55/56/88/1072555688.db2.gz KRIXTMALEGVTKB-FGTMMUONSA-N 1 2 443.614 -0.189 20 0 IBADLO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000578059338 1072555635 /nfs/dbraw/zinc/55/56/35/1072555635.db2.gz KRIXTMALEGVTKB-KURKYZTESA-N 1 2 443.614 -0.189 20 0 IBADLO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000578059339 1072555722 /nfs/dbraw/zinc/55/57/22/1072555722.db2.gz KRIXTMALEGVTKB-KZNAEPCWSA-N 1 2 443.614 -0.189 20 0 IBADLO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000578059340 1072555705 /nfs/dbraw/zinc/55/57/05/1072555705.db2.gz KRIXTMALEGVTKB-SQNIBIBYSA-N 1 2 443.614 -0.189 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCn2cnnc2C1 ZINC000578090885 1072556115 /nfs/dbraw/zinc/55/61/15/1072556115.db2.gz GMDKXEGZVPXMQN-HNNXBMFYSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCn2cnnc2C1 ZINC000578090885 1072556107 /nfs/dbraw/zinc/55/61/07/1072556107.db2.gz GMDKXEGZVPXMQN-HNNXBMFYSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCn2cnnc2C1 ZINC000578090886 1072556278 /nfs/dbraw/zinc/55/62/78/1072556278.db2.gz GMDKXEGZVPXMQN-OAHLLOKOSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCn2cnnc2C1 ZINC000578090886 1072556270 /nfs/dbraw/zinc/55/62/70/1072556270.db2.gz GMDKXEGZVPXMQN-OAHLLOKOSA-N 1 2 441.496 -0.968 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCOCC1 ZINC000578147598 1072557385 /nfs/dbraw/zinc/55/73/85/1072557385.db2.gz LWBIBADHZTWFRJ-KRWDZBQOSA-N 1 2 432.525 -0.698 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCOCC1 ZINC000578147599 1072557310 /nfs/dbraw/zinc/55/73/10/1072557310.db2.gz LWBIBADHZTWFRJ-QGZVFWFLSA-N 1 2 432.525 -0.698 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201530 1072558976 /nfs/dbraw/zinc/55/89/76/1072558976.db2.gz SYVLNFSMPIKOSL-CABCVRRESA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201530 1072558968 /nfs/dbraw/zinc/55/89/68/1072558968.db2.gz SYVLNFSMPIKOSL-CABCVRRESA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201531 1072559152 /nfs/dbraw/zinc/55/91/52/1072559152.db2.gz SYVLNFSMPIKOSL-GJZGRUSLSA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201531 1072559138 /nfs/dbraw/zinc/55/91/38/1072559138.db2.gz SYVLNFSMPIKOSL-GJZGRUSLSA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201532 1072558905 /nfs/dbraw/zinc/55/89/05/1072558905.db2.gz SYVLNFSMPIKOSL-HUUCEWRRSA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201532 1072558902 /nfs/dbraw/zinc/55/89/02/1072558902.db2.gz SYVLNFSMPIKOSL-HUUCEWRRSA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201533 1072559117 /nfs/dbraw/zinc/55/91/17/1072559117.db2.gz SYVLNFSMPIKOSL-LSDHHAIUSA-N 1 2 425.530 -0.005 20 0 IBADLO CCCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578201533 1072559105 /nfs/dbraw/zinc/55/91/05/1072559105.db2.gz SYVLNFSMPIKOSL-LSDHHAIUSA-N 1 2 425.530 -0.005 20 0 IBADLO CC1CCC(C)(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000578261860 1072559713 /nfs/dbraw/zinc/55/97/13/1072559713.db2.gz CSUDKIGYUUVARF-UHFFFAOYSA-N 1 2 443.614 -0.045 20 0 IBADLO Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000578280111 1072560875 /nfs/dbraw/zinc/56/08/75/1072560875.db2.gz OHDHKONIHYNKHD-CYBMUJFWSA-N 1 2 446.537 -0.001 20 0 IBADLO Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000578280111 1072560868 /nfs/dbraw/zinc/56/08/68/1072560868.db2.gz OHDHKONIHYNKHD-CYBMUJFWSA-N 1 2 446.537 -0.001 20 0 IBADLO Cc1nnc([C@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000578280112 1072560773 /nfs/dbraw/zinc/56/07/73/1072560773.db2.gz OHDHKONIHYNKHD-ZDUSSCGKSA-N 1 2 446.537 -0.001 20 0 IBADLO Cc1nnc([C@H](C)NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000578280112 1072560758 /nfs/dbraw/zinc/56/07/58/1072560758.db2.gz OHDHKONIHYNKHD-ZDUSSCGKSA-N 1 2 446.537 -0.001 20 0 IBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1-c1ccc(F)cc1F ZINC000578364241 1072562519 /nfs/dbraw/zinc/56/25/19/1072562519.db2.gz MTKRDCIIHZBKBX-HNNXBMFYSA-N 1 2 437.447 0.549 20 0 IBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1-c1ccc(F)cc1F ZINC000578364242 1072562305 /nfs/dbraw/zinc/56/23/05/1072562305.db2.gz MTKRDCIIHZBKBX-OAHLLOKOSA-N 1 2 437.447 0.549 20 0 IBADLO CCN(CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)S(C)(=O)=O ZINC000578383922 1072563165 /nfs/dbraw/zinc/56/31/65/1072563165.db2.gz FFAVWKBJTMFELJ-UHFFFAOYSA-N 1 2 440.566 -0.077 20 0 IBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC000578470062 1072564612 /nfs/dbraw/zinc/56/46/12/1072564612.db2.gz MRMSUBOBBPTPLB-UHFFFAOYSA-N 1 2 425.453 -0.907 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc3nncn3n2)CC1)[NH+]1CCOCC1 ZINC000578487642 1072564689 /nfs/dbraw/zinc/56/46/89/1072564689.db2.gz GSWQMMUPGFBBOM-KRWDZBQOSA-N 1 2 444.540 -0.364 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ccc3nncn3n2)CC1)[NH+]1CCOCC1 ZINC000578487643 1072564645 /nfs/dbraw/zinc/56/46/45/1072564645.db2.gz GSWQMMUPGFBBOM-QGZVFWFLSA-N 1 2 444.540 -0.364 20 0 IBADLO COc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000578556631 1072566570 /nfs/dbraw/zinc/56/65/70/1072566570.db2.gz JDCBBPWHYGCWFC-UHFFFAOYSA-N 1 2 426.477 -0.044 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000578581969 1072567038 /nfs/dbraw/zinc/56/70/38/1072567038.db2.gz PHGPFHULTZFVBH-UHFFFAOYSA-N 1 2 429.518 -0.152 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000578581969 1072567031 /nfs/dbraw/zinc/56/70/31/1072567031.db2.gz PHGPFHULTZFVBH-UHFFFAOYSA-N 1 2 429.518 -0.152 20 0 IBADLO CN(C)S(=O)(=O)CCNc1nc(NCCS(=O)(=O)N(C)C)c2ccccc2[nH+]1 ZINC000578632773 1072567518 /nfs/dbraw/zinc/56/75/18/1072567518.db2.gz MYINVUNRAOVFBT-UHFFFAOYSA-N 1 2 430.556 -0.920 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)CC1 ZINC000578672177 1072568255 /nfs/dbraw/zinc/56/82/55/1072568255.db2.gz OBWSRGUWWFBXBU-GOSISDBHSA-N 1 2 430.546 -0.187 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)CC1 ZINC000578672178 1072568243 /nfs/dbraw/zinc/56/82/43/1072568243.db2.gz OBWSRGUWWFBXBU-SFHVURJKSA-N 1 2 430.546 -0.187 20 0 IBADLO CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000578691442 1072568563 /nfs/dbraw/zinc/56/85/63/1072568563.db2.gz GCDQGBUPCCTVKD-UHFFFAOYSA-N 1 2 437.464 -0.318 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749508 1072569070 /nfs/dbraw/zinc/56/90/70/1072569070.db2.gz NAXTWRDIMISCAY-CABCVRRESA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749508 1072569061 /nfs/dbraw/zinc/56/90/61/1072569061.db2.gz NAXTWRDIMISCAY-CABCVRRESA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749509 1072569649 /nfs/dbraw/zinc/56/96/49/1072569649.db2.gz NAXTWRDIMISCAY-GJZGRUSLSA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749509 1072569643 /nfs/dbraw/zinc/56/96/43/1072569643.db2.gz NAXTWRDIMISCAY-GJZGRUSLSA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749510 1072569675 /nfs/dbraw/zinc/56/96/75/1072569675.db2.gz NAXTWRDIMISCAY-HUUCEWRRSA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749510 1072569670 /nfs/dbraw/zinc/56/96/70/1072569670.db2.gz NAXTWRDIMISCAY-HUUCEWRRSA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749511 1072569839 /nfs/dbraw/zinc/56/98/39/1072569839.db2.gz NAXTWRDIMISCAY-LSDHHAIUSA-N 1 2 425.530 -0.149 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000578749511 1072569830 /nfs/dbraw/zinc/56/98/30/1072569830.db2.gz NAXTWRDIMISCAY-LSDHHAIUSA-N 1 2 425.530 -0.149 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC2)no1 ZINC000578774104 1073328951 /nfs/dbraw/zinc/32/89/51/1073328951.db2.gz KTMQZWLQUMRMID-UHFFFAOYSA-N 1 2 429.481 0.079 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000578796701 1072570240 /nfs/dbraw/zinc/57/02/40/1072570240.db2.gz OZQQXPABNJSXHV-INIZCTEOSA-N 1 2 440.570 0.541 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000578796702 1072570955 /nfs/dbraw/zinc/57/09/55/1072570955.db2.gz OZQQXPABNJSXHV-MRXNPFEDSA-N 1 2 440.570 0.541 20 0 IBADLO COC(=O)C(C)(C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578909686 1072572318 /nfs/dbraw/zinc/57/23/18/1072572318.db2.gz TZGFHLZPRUCGFT-UHFFFAOYSA-N 1 2 448.567 -0.348 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578913034 1072572656 /nfs/dbraw/zinc/57/26/56/1072572656.db2.gz QLBYBCMFSUIRMN-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578913034 1072572644 /nfs/dbraw/zinc/57/26/44/1072572644.db2.gz QLBYBCMFSUIRMN-MSOLQXFVSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578913036 1072572774 /nfs/dbraw/zinc/57/27/74/1072572774.db2.gz QLBYBCMFSUIRMN-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578913036 1072572765 /nfs/dbraw/zinc/57/27/65/1072572765.db2.gz QLBYBCMFSUIRMN-QZTJIDSGSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578913038 1072572887 /nfs/dbraw/zinc/57/28/87/1072572887.db2.gz QLBYBCMFSUIRMN-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578913038 1072572876 /nfs/dbraw/zinc/57/28/76/1072572876.db2.gz QLBYBCMFSUIRMN-ROUUACIJSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578913041 1072572802 /nfs/dbraw/zinc/57/28/02/1072572802.db2.gz QLBYBCMFSUIRMN-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578913041 1072572794 /nfs/dbraw/zinc/57/27/94/1072572794.db2.gz QLBYBCMFSUIRMN-ZWKOTPCHSA-N 1 2 438.550 -0.456 20 0 IBADLO CSCCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578917376 1072572862 /nfs/dbraw/zinc/57/28/62/1072572862.db2.gz PYAXQYDOSYXYSX-UHFFFAOYSA-N 1 2 443.595 -0.091 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000579041286 1072575474 /nfs/dbraw/zinc/57/54/74/1072575474.db2.gz ZJXCLNMOYLCRCX-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000579041287 1072575453 /nfs/dbraw/zinc/57/54/53/1072575453.db2.gz ZJXCLNMOYLCRCX-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)n1 ZINC000579041288 1072575462 /nfs/dbraw/zinc/57/54/62/1072575462.db2.gz ZJXCLNMOYLCRCX-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)n1 ZINC000579041289 1072575527 /nfs/dbraw/zinc/57/55/27/1072575527.db2.gz ZJXCLNMOYLCRCX-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000579041321 1072575494 /nfs/dbraw/zinc/57/54/94/1072575494.db2.gz KEAPAYHDIVZDBW-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000579041321 1072575490 /nfs/dbraw/zinc/57/54/90/1072575490.db2.gz KEAPAYHDIVZDBW-UHFFFAOYSA-N 1 2 432.506 -0.077 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCN4CCOC[C@@H]4C3)CC2)cc1 ZINC000579056166 1072576572 /nfs/dbraw/zinc/57/65/72/1072576572.db2.gz LVNBPOJENSFZEQ-KRWDZBQOSA-N 1 2 438.550 -0.456 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCN4CCOC[C@@H]4C3)CC2)cc1 ZINC000579056166 1072576565 /nfs/dbraw/zinc/57/65/65/1072576565.db2.gz LVNBPOJENSFZEQ-KRWDZBQOSA-N 1 2 438.550 -0.456 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCN4CCOC[C@H]4C3)CC2)cc1 ZINC000579056178 1072576459 /nfs/dbraw/zinc/57/64/59/1072576459.db2.gz LVNBPOJENSFZEQ-QGZVFWFLSA-N 1 2 438.550 -0.456 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCN4CCOC[C@H]4C3)CC2)cc1 ZINC000579056178 1072576453 /nfs/dbraw/zinc/57/64/53/1072576453.db2.gz LVNBPOJENSFZEQ-QGZVFWFLSA-N 1 2 438.550 -0.456 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1OCC ZINC000579133780 1072577175 /nfs/dbraw/zinc/57/71/75/1072577175.db2.gz DBQNCBMGGGNCQK-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1OCC ZINC000579133781 1072577075 /nfs/dbraw/zinc/57/70/75/1072577075.db2.gz DBQNCBMGGGNCQK-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000579152984 1072577100 /nfs/dbraw/zinc/57/71/00/1072577100.db2.gz HRNXYNSEMRNDTR-MOPGFXCFSA-N 1 2 435.569 -0.487 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000579152985 1072577680 /nfs/dbraw/zinc/57/76/80/1072577680.db2.gz HRNXYNSEMRNDTR-OALUTQOASA-N 1 2 435.569 -0.487 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000579152986 1072577660 /nfs/dbraw/zinc/57/76/60/1072577660.db2.gz HRNXYNSEMRNDTR-RBUKOAKNSA-N 1 2 435.569 -0.487 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000579152987 1072577748 /nfs/dbraw/zinc/57/77/48/1072577748.db2.gz HRNXYNSEMRNDTR-RTBURBONSA-N 1 2 435.569 -0.487 20 0 IBADLO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000579242013 1072578470 /nfs/dbraw/zinc/57/84/70/1072578470.db2.gz ATQWFSPURRECKQ-BBWFWOEESA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000579242013 1072578450 /nfs/dbraw/zinc/57/84/50/1072578450.db2.gz ATQWFSPURRECKQ-BBWFWOEESA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000579242023 1072578285 /nfs/dbraw/zinc/57/82/85/1072578285.db2.gz ATQWFSPURRECKQ-GVDBMIGSSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000579242023 1072578276 /nfs/dbraw/zinc/57/82/76/1072578276.db2.gz ATQWFSPURRECKQ-GVDBMIGSSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000579242024 1072578515 /nfs/dbraw/zinc/57/85/15/1072578515.db2.gz ATQWFSPURRECKQ-ULQDDVLXSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000579242024 1072578501 /nfs/dbraw/zinc/57/85/01/1072578501.db2.gz ATQWFSPURRECKQ-ULQDDVLXSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000579242025 1072578222 /nfs/dbraw/zinc/57/82/22/1072578222.db2.gz ATQWFSPURRECKQ-YESZJQIVSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000579242025 1072578214 /nfs/dbraw/zinc/57/82/14/1072578214.db2.gz ATQWFSPURRECKQ-YESZJQIVSA-N 1 2 432.525 -0.373 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000579281728 1072283972 /nfs/dbraw/zinc/28/39/72/1072283972.db2.gz BTMLFRHINNLHLN-GMBSWORKSA-N 1 2 448.524 -0.565 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000579281728 1072283960 /nfs/dbraw/zinc/28/39/60/1072283960.db2.gz BTMLFRHINNLHLN-GMBSWORKSA-N 1 2 448.524 -0.565 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000579281729 1072284162 /nfs/dbraw/zinc/28/41/62/1072284162.db2.gz BTMLFRHINNLHLN-OGWOLHLISA-N 1 2 448.524 -0.565 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000579281729 1072284156 /nfs/dbraw/zinc/28/41/56/1072284156.db2.gz BTMLFRHINNLHLN-OGWOLHLISA-N 1 2 448.524 -0.565 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284337 1072579037 /nfs/dbraw/zinc/57/90/37/1072579037.db2.gz SFYHLVAQADTMEX-MZMPZRCHSA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284337 1072579027 /nfs/dbraw/zinc/57/90/27/1072579027.db2.gz SFYHLVAQADTMEX-MZMPZRCHSA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284338 1072578903 /nfs/dbraw/zinc/57/89/03/1072578903.db2.gz SFYHLVAQADTMEX-QBIMZIAESA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284338 1072578894 /nfs/dbraw/zinc/57/88/94/1072578894.db2.gz SFYHLVAQADTMEX-QBIMZIAESA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284339 1072579006 /nfs/dbraw/zinc/57/90/06/1072579006.db2.gz SFYHLVAQADTMEX-RPVQJOFSSA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284339 1072578996 /nfs/dbraw/zinc/57/89/96/1072578996.db2.gz SFYHLVAQADTMEX-RPVQJOFSSA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284340 1072579404 /nfs/dbraw/zinc/57/94/04/1072579404.db2.gz SFYHLVAQADTMEX-SKDZVZGDSA-N 1 2 440.447 -0.445 20 0 IBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000579284340 1072579393 /nfs/dbraw/zinc/57/93/93/1072579393.db2.gz SFYHLVAQADTMEX-SKDZVZGDSA-N 1 2 440.447 -0.445 20 0 IBADLO O=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000579415231 1072582195 /nfs/dbraw/zinc/58/21/95/1072582195.db2.gz HTRJVSHLESCGQX-UHFFFAOYSA-N 1 2 426.477 -0.074 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000579505709 1072582885 /nfs/dbraw/zinc/58/28/85/1072582885.db2.gz RJJCBQDDEQKVHL-GOSISDBHSA-N 1 2 447.488 -0.503 20 0 IBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000579505710 1072582897 /nfs/dbraw/zinc/58/28/97/1072582897.db2.gz RJJCBQDDEQKVHL-SFHVURJKSA-N 1 2 447.488 -0.503 20 0 IBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000579521719 1072583785 /nfs/dbraw/zinc/58/37/85/1072583785.db2.gz CKALBNMJOWAKFX-MRXNPFEDSA-N 1 2 449.533 -0.057 20 0 IBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000579521719 1072583781 /nfs/dbraw/zinc/58/37/81/1072583781.db2.gz CKALBNMJOWAKFX-MRXNPFEDSA-N 1 2 449.533 -0.057 20 0 IBADLO CC(=O)Nc1cccc(OCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000579551765 1072584853 /nfs/dbraw/zinc/58/48/53/1072584853.db2.gz AVKBBJCXJVBLHB-UHFFFAOYSA-N 1 2 444.492 0.307 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000579621283 1072585163 /nfs/dbraw/zinc/58/51/63/1072585163.db2.gz UAGMXANCUJMZFA-MSOLQXFVSA-N 1 2 445.520 -0.058 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000579621284 1072585088 /nfs/dbraw/zinc/58/50/88/1072585088.db2.gz UAGMXANCUJMZFA-QZTJIDSGSA-N 1 2 445.520 -0.058 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000579621285 1072585328 /nfs/dbraw/zinc/58/53/28/1072585328.db2.gz UAGMXANCUJMZFA-ROUUACIJSA-N 1 2 445.520 -0.058 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000579621286 1072585260 /nfs/dbraw/zinc/58/52/60/1072585260.db2.gz UAGMXANCUJMZFA-ZWKOTPCHSA-N 1 2 445.520 -0.058 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579622569 1072585126 /nfs/dbraw/zinc/58/51/26/1072585126.db2.gz VEQJHOGCFBBULA-IYBDPMFKSA-N 1 2 432.587 -0.126 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579622569 1072585120 /nfs/dbraw/zinc/58/51/20/1072585120.db2.gz VEQJHOGCFBBULA-IYBDPMFKSA-N 1 2 432.587 -0.126 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000579654527 1072586427 /nfs/dbraw/zinc/58/64/27/1072586427.db2.gz ZBBUJNJRIJLWGR-UHFFFAOYSA-N 1 2 449.489 -0.107 20 0 IBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000579689111 1070793405 /nfs/dbraw/zinc/79/34/05/1070793405.db2.gz MXCLJRQJZSMELK-UHFFFAOYSA-N 1 2 427.425 -0.829 20 0 IBADLO CN(C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCSC1 ZINC000579692957 1070793257 /nfs/dbraw/zinc/79/32/57/1070793257.db2.gz HXMZHASOBAYDLE-HNNXBMFYSA-N 1 2 441.579 -0.387 20 0 IBADLO CN(C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCSC1 ZINC000579692970 1070793474 /nfs/dbraw/zinc/79/34/74/1070793474.db2.gz HXMZHASOBAYDLE-OAHLLOKOSA-N 1 2 441.579 -0.387 20 0 IBADLO Cn1cc(CCCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000579745555 1070796600 /nfs/dbraw/zinc/79/66/00/1070796600.db2.gz BNYHJSMMOSDVBC-UHFFFAOYSA-N 1 2 442.524 -0.556 20 0 IBADLO Cn1cc(CCCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000579745555 1070796587 /nfs/dbraw/zinc/79/65/87/1070796587.db2.gz BNYHJSMMOSDVBC-UHFFFAOYSA-N 1 2 442.524 -0.556 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000579768416 1070800972 /nfs/dbraw/zinc/80/09/72/1070800972.db2.gz WWEIQPUTWDSTEX-MSOLQXFVSA-N 1 2 436.484 -0.806 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000579768417 1070800871 /nfs/dbraw/zinc/80/08/71/1070800871.db2.gz WWEIQPUTWDSTEX-QZTJIDSGSA-N 1 2 436.484 -0.806 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000579768419 1070800644 /nfs/dbraw/zinc/80/06/44/1070800644.db2.gz WWEIQPUTWDSTEX-ROUUACIJSA-N 1 2 436.484 -0.806 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000579768421 1070800812 /nfs/dbraw/zinc/80/08/12/1070800812.db2.gz WWEIQPUTWDSTEX-ZWKOTPCHSA-N 1 2 436.484 -0.806 20 0 IBADLO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)cc2)CC1 ZINC000579781293 1070803164 /nfs/dbraw/zinc/80/31/64/1070803164.db2.gz QNTIHDCFLHJMLN-UHFFFAOYSA-N 1 2 449.533 -0.279 20 0 IBADLO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)cc2)CC1 ZINC000579781293 1070803128 /nfs/dbraw/zinc/80/31/28/1070803128.db2.gz QNTIHDCFLHJMLN-UHFFFAOYSA-N 1 2 449.533 -0.279 20 0 IBADLO NC(=O)[C@@H]1CN(c2nc(C(F)F)nc3ccc(N4CC[NH2+][C@H](C(N)=O)C4)cc32)CCN1 ZINC000579782588 1070804283 /nfs/dbraw/zinc/80/42/83/1070804283.db2.gz HISVGSDURWCVKU-KBPBESRZSA-N 1 2 434.451 -0.906 20 0 IBADLO NC(=O)[C@H]1CN(c2ccc3nc(C(F)F)nc(N4CCN[C@H](C(N)=O)C4)c3c2)CC[NH2+]1 ZINC000579782589 1070804072 /nfs/dbraw/zinc/80/40/72/1070804072.db2.gz HISVGSDURWCVKU-KGLIPLIRSA-N 1 2 434.451 -0.906 20 0 IBADLO NC(=O)[C@H]1CN(c2nc(C(F)F)nc3ccc(N4CC[NH2+][C@H](C(N)=O)C4)cc32)CCN1 ZINC000579782590 1070803893 /nfs/dbraw/zinc/80/38/93/1070803893.db2.gz HISVGSDURWCVKU-UONOGXRCSA-N 1 2 434.451 -0.906 20 0 IBADLO NC(=O)[C@H]1CN(c2nc(C(F)F)nc3ccc(N4CC[NH2+][C@@H](C(N)=O)C4)cc32)CCN1 ZINC000579782591 1070804155 /nfs/dbraw/zinc/80/41/55/1070804155.db2.gz HISVGSDURWCVKU-ZIAGYGMSSA-N 1 2 434.451 -0.906 20 0 IBADLO O=C(NCCCOC(F)F)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000579818244 1070812645 /nfs/dbraw/zinc/81/26/45/1070812645.db2.gz NMNYYSVUXDNOJY-UHFFFAOYSA-N 1 2 449.480 -0.605 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000579870154 1070829681 /nfs/dbraw/zinc/82/96/81/1070829681.db2.gz IZEYHNRDOQAITR-UHFFFAOYSA-N 1 2 442.524 -0.079 20 0 IBADLO O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579899218 1070860093 /nfs/dbraw/zinc/86/00/93/1070860093.db2.gz LYKYYPMIGULDMD-HNNXBMFYSA-N 1 2 428.486 -0.847 20 0 IBADLO O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000579899219 1070860011 /nfs/dbraw/zinc/86/00/11/1070860011.db2.gz LYKYYPMIGULDMD-OAHLLOKOSA-N 1 2 428.486 -0.847 20 0 IBADLO O=C(NCCCOC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579966086 1070890796 /nfs/dbraw/zinc/89/07/96/1070890796.db2.gz LJDXTBALDRZGHO-UHFFFAOYSA-N 1 2 428.440 -0.293 20 0 IBADLO O=C(NCCCOC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579966086 1070890776 /nfs/dbraw/zinc/89/07/76/1070890776.db2.gz LJDXTBALDRZGHO-UHFFFAOYSA-N 1 2 428.440 -0.293 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1)NC1CC1 ZINC000579981286 1070895181 /nfs/dbraw/zinc/89/51/81/1070895181.db2.gz HPCJUDVFHJSXJM-UHFFFAOYSA-N 1 2 442.564 -0.652 20 0 IBADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580117544 1070913430 /nfs/dbraw/zinc/91/34/30/1070913430.db2.gz PXFKGYHBEFXPBK-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000580117544 1070913420 /nfs/dbraw/zinc/91/34/20/1070913420.db2.gz PXFKGYHBEFXPBK-DLBZAZTESA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580117546 1070914265 /nfs/dbraw/zinc/91/42/65/1070914265.db2.gz PXFKGYHBEFXPBK-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000580117546 1070914248 /nfs/dbraw/zinc/91/42/48/1070914248.db2.gz PXFKGYHBEFXPBK-IAGOWNOFSA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580117548 1070914372 /nfs/dbraw/zinc/91/43/72/1070914372.db2.gz PXFKGYHBEFXPBK-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000580117548 1070914359 /nfs/dbraw/zinc/91/43/59/1070914359.db2.gz PXFKGYHBEFXPBK-IRXDYDNUSA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580117549 1070913914 /nfs/dbraw/zinc/91/39/14/1070913914.db2.gz PXFKGYHBEFXPBK-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000580117549 1070913897 /nfs/dbraw/zinc/91/38/97/1070913897.db2.gz PXFKGYHBEFXPBK-SJORKVTESA-N 1 2 448.524 -0.728 20 0 IBADLO COC(=O)C(C)(C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580118209 1070914048 /nfs/dbraw/zinc/91/40/48/1070914048.db2.gz ASLZSDVBXPVBDK-UHFFFAOYSA-N 1 2 427.527 -0.036 20 0 IBADLO COC(=O)C(C)(C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000580118209 1070914032 /nfs/dbraw/zinc/91/40/32/1070914032.db2.gz ASLZSDVBXPVBDK-UHFFFAOYSA-N 1 2 427.527 -0.036 20 0 IBADLO CCOC1CC(CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)([NH+]2CCOCC2)C1 ZINC000580255866 1071324963 /nfs/dbraw/zinc/32/49/63/1071324963.db2.gz IOLCKQJLKDOHNS-UHFFFAOYSA-N 1 2 447.602 -0.220 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c2)CC1 ZINC000580370419 1070926955 /nfs/dbraw/zinc/92/69/55/1070926955.db2.gz ICFFGSJAUPUTAY-UHFFFAOYSA-N 1 2 439.538 -0.703 20 0 IBADLO CN(C)S(=O)(=O)n1ccnc1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580384107 1070929299 /nfs/dbraw/zinc/92/92/99/1070929299.db2.gz CVKCOYSQALMADW-UHFFFAOYSA-N 1 2 436.542 -0.514 20 0 IBADLO C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000580399417 1073312455 /nfs/dbraw/zinc/31/24/55/1073312455.db2.gz XJIDRHJSXUTTFS-GOSISDBHSA-N 1 2 441.536 0.454 20 0 IBADLO C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000580399418 1070929814 /nfs/dbraw/zinc/92/98/14/1070929814.db2.gz XJIDRHJSXUTTFS-SFHVURJKSA-N 1 2 441.536 0.454 20 0 IBADLO Cc1ocnc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580439580 1070931533 /nfs/dbraw/zinc/93/15/33/1070931533.db2.gz JFPFOLLYQJYGIB-UHFFFAOYSA-N 1 2 436.494 -0.738 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)cs1 ZINC000580444630 1070931268 /nfs/dbraw/zinc/93/12/68/1070931268.db2.gz LQZMONXCVONCJB-UHFFFAOYSA-N 1 2 426.524 -0.313 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000580587544 1070937928 /nfs/dbraw/zinc/93/79/28/1070937928.db2.gz PCKCIVPBRBPYGG-AWEZNQCLSA-N 1 2 447.492 -0.722 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000580587545 1070938229 /nfs/dbraw/zinc/93/82/29/1070938229.db2.gz PCKCIVPBRBPYGG-CQSZACIVSA-N 1 2 447.492 -0.722 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000580587795 1070937997 /nfs/dbraw/zinc/93/79/97/1070937997.db2.gz BJPYQPFWDKVWOQ-DZGCQCFKSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000580587795 1070937983 /nfs/dbraw/zinc/93/79/83/1070937983.db2.gz BJPYQPFWDKVWOQ-DZGCQCFKSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000580587796 1070938106 /nfs/dbraw/zinc/93/81/06/1070938106.db2.gz BJPYQPFWDKVWOQ-HIFRSBDPSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000580587796 1070938089 /nfs/dbraw/zinc/93/80/89/1070938089.db2.gz BJPYQPFWDKVWOQ-HIFRSBDPSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000580587797 1070938289 /nfs/dbraw/zinc/93/82/89/1070938289.db2.gz BJPYQPFWDKVWOQ-UKRRQHHQSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000580587797 1070938278 /nfs/dbraw/zinc/93/82/78/1070938278.db2.gz BJPYQPFWDKVWOQ-UKRRQHHQSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000580587798 1070938319 /nfs/dbraw/zinc/93/83/19/1070938319.db2.gz BJPYQPFWDKVWOQ-ZFWWWQNUSA-N 1 2 425.511 -0.223 20 0 IBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000580587798 1070938312 /nfs/dbraw/zinc/93/83/12/1070938312.db2.gz BJPYQPFWDKVWOQ-ZFWWWQNUSA-N 1 2 425.511 -0.223 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[NH+]1CCOCC1 ZINC000580729308 1070944431 /nfs/dbraw/zinc/94/44/31/1070944431.db2.gz NJZIYMBHJJVGBD-INIZCTEOSA-N 1 2 437.541 -0.170 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[NH+]1CCOCC1 ZINC000580729309 1070944560 /nfs/dbraw/zinc/94/45/60/1070944560.db2.gz NJZIYMBHJJVGBD-MRXNPFEDSA-N 1 2 437.541 -0.170 20 0 IBADLO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000580732850 1070944499 /nfs/dbraw/zinc/94/44/99/1070944499.db2.gz LRURSZJKRNIHHT-IBGZPJMESA-N 1 2 436.601 -0.859 20 0 IBADLO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000580732850 1070944490 /nfs/dbraw/zinc/94/44/90/1070944490.db2.gz LRURSZJKRNIHHT-IBGZPJMESA-N 1 2 436.601 -0.859 20 0 IBADLO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000580732851 1070944197 /nfs/dbraw/zinc/94/41/97/1070944197.db2.gz LRURSZJKRNIHHT-LJQANCHMSA-N 1 2 436.601 -0.859 20 0 IBADLO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000580732851 1070944192 /nfs/dbraw/zinc/94/41/92/1070944192.db2.gz LRURSZJKRNIHHT-LJQANCHMSA-N 1 2 436.601 -0.859 20 0 IBADLO CN(CCN1CCOCC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580789876 1070947480 /nfs/dbraw/zinc/94/74/80/1070947480.db2.gz JTMMXDPSIFZPRI-UHFFFAOYSA-N 1 2 432.525 -0.973 20 0 IBADLO COc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000580804831 1070948122 /nfs/dbraw/zinc/94/81/22/1070948122.db2.gz HEBIVKQZBJDQIX-AWEZNQCLSA-N 1 2 431.511 -0.866 20 0 IBADLO COc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000580804832 1070948357 /nfs/dbraw/zinc/94/83/57/1070948357.db2.gz HEBIVKQZBJDQIX-CQSZACIVSA-N 1 2 431.511 -0.866 20 0 IBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)c2)CC1 ZINC000580804930 1070948296 /nfs/dbraw/zinc/94/82/96/1070948296.db2.gz LDDYVLYTLDQMBS-UHFFFAOYSA-N 1 2 432.506 -0.200 20 0 IBADLO Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000580862450 1070950982 /nfs/dbraw/zinc/95/09/82/1070950982.db2.gz XVAVFOIEMJRVDK-UHFFFAOYSA-N 1 2 438.476 -0.153 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@H](C)C1 ZINC000580972428 1070957714 /nfs/dbraw/zinc/95/77/14/1070957714.db2.gz YTSHJRCBCPWPBT-CABCVRRESA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@H](C)C1 ZINC000580972428 1070957708 /nfs/dbraw/zinc/95/77/08/1070957708.db2.gz YTSHJRCBCPWPBT-CABCVRRESA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H](C)C1 ZINC000580972431 1070957504 /nfs/dbraw/zinc/95/75/04/1070957504.db2.gz YTSHJRCBCPWPBT-GJZGRUSLSA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H](C)C1 ZINC000580972431 1070957493 /nfs/dbraw/zinc/95/74/93/1070957493.db2.gz YTSHJRCBCPWPBT-GJZGRUSLSA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@H](C)C1 ZINC000580972432 1070957751 /nfs/dbraw/zinc/95/77/51/1070957751.db2.gz YTSHJRCBCPWPBT-HUUCEWRRSA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@H](C)C1 ZINC000580972432 1070957745 /nfs/dbraw/zinc/95/77/45/1070957745.db2.gz YTSHJRCBCPWPBT-HUUCEWRRSA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H](C)C1 ZINC000580972433 1070957560 /nfs/dbraw/zinc/95/75/60/1070957560.db2.gz YTSHJRCBCPWPBT-LSDHHAIUSA-N 1 2 434.497 -0.873 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H](C)C1 ZINC000580972433 1070957549 /nfs/dbraw/zinc/95/75/49/1070957549.db2.gz YTSHJRCBCPWPBT-LSDHHAIUSA-N 1 2 434.497 -0.873 20 0 IBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)ccc1OC ZINC000580981388 1070958423 /nfs/dbraw/zinc/95/84/23/1070958423.db2.gz BENHUXULHRYXJR-UHFFFAOYSA-N 1 2 437.478 -0.203 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000581087395 1070960621 /nfs/dbraw/zinc/96/06/21/1070960621.db2.gz KWVZMZCLQIWSPS-QZTJIDSGSA-N 1 2 430.505 -0.249 20 0 IBADLO O=C(NCCN1CCS(=O)(=O)CC1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000581144103 1070962589 /nfs/dbraw/zinc/96/25/89/1070962589.db2.gz BKGAMZIICQRUAX-KRWDZBQOSA-N 1 2 425.555 -0.136 20 0 IBADLO O=C(NCCN1CCS(=O)(=O)CC1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000581144103 1070962580 /nfs/dbraw/zinc/96/25/80/1070962580.db2.gz BKGAMZIICQRUAX-KRWDZBQOSA-N 1 2 425.555 -0.136 20 0 IBADLO O=C(NCCN1CCS(=O)(=O)CC1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000581144104 1070962551 /nfs/dbraw/zinc/96/25/51/1070962551.db2.gz BKGAMZIICQRUAX-QGZVFWFLSA-N 1 2 425.555 -0.136 20 0 IBADLO O=C(NCCN1CCS(=O)(=O)CC1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000581144104 1070962540 /nfs/dbraw/zinc/96/25/40/1070962540.db2.gz BKGAMZIICQRUAX-QGZVFWFLSA-N 1 2 425.555 -0.136 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000581148643 1070963418 /nfs/dbraw/zinc/96/34/18/1070963418.db2.gz MESCDEJMFVPWRG-KRWDZBQOSA-N 1 2 440.508 -0.481 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000581148645 1070963540 /nfs/dbraw/zinc/96/35/40/1070963540.db2.gz MESCDEJMFVPWRG-QGZVFWFLSA-N 1 2 440.508 -0.481 20 0 IBADLO Cc1ncc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000581217713 1070965435 /nfs/dbraw/zinc/96/54/35/1070965435.db2.gz MSLJIJVZPDFGOR-UHFFFAOYSA-N 1 2 433.494 -0.613 20 0 IBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000581336861 1070971200 /nfs/dbraw/zinc/97/12/00/1070971200.db2.gz JMNXUQUTRBUEPP-IBGZPJMESA-N 1 2 429.525 -0.174 20 0 IBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000581336862 1070971416 /nfs/dbraw/zinc/97/14/16/1070971416.db2.gz JMNXUQUTRBUEPP-LJQANCHMSA-N 1 2 429.525 -0.174 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581399771 1070975110 /nfs/dbraw/zinc/97/51/10/1070975110.db2.gz FTWTVXSVFBVOQI-HNNXBMFYSA-N 1 2 431.584 -0.022 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581399771 1070975103 /nfs/dbraw/zinc/97/51/03/1070975103.db2.gz FTWTVXSVFBVOQI-HNNXBMFYSA-N 1 2 431.584 -0.022 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581399772 1070974927 /nfs/dbraw/zinc/97/49/27/1070974927.db2.gz FTWTVXSVFBVOQI-OAHLLOKOSA-N 1 2 431.584 -0.022 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581399772 1070974922 /nfs/dbraw/zinc/97/49/22/1070974922.db2.gz FTWTVXSVFBVOQI-OAHLLOKOSA-N 1 2 431.584 -0.022 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000581459747 1070977877 /nfs/dbraw/zinc/97/78/77/1070977877.db2.gz JLURWQHQIZZJNJ-UHFFFAOYSA-N 1 2 449.489 -0.107 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000581506460 1070979875 /nfs/dbraw/zinc/97/98/75/1070979875.db2.gz KWQCYNCAVPLBJF-DLBZAZTESA-N 1 2 428.537 -0.165 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000581506461 1070980140 /nfs/dbraw/zinc/98/01/40/1070980140.db2.gz KWQCYNCAVPLBJF-IAGOWNOFSA-N 1 2 428.537 -0.165 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000581506462 1070979818 /nfs/dbraw/zinc/97/98/18/1070979818.db2.gz KWQCYNCAVPLBJF-IRXDYDNUSA-N 1 2 428.537 -0.165 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000581506463 1070980168 /nfs/dbraw/zinc/98/01/68/1070980168.db2.gz KWQCYNCAVPLBJF-SJORKVTESA-N 1 2 428.537 -0.165 20 0 IBADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000581508489 1070980684 /nfs/dbraw/zinc/98/06/84/1070980684.db2.gz PYWAEGSDHNAVHI-DLBZAZTESA-N 1 2 432.525 -0.255 20 0 IBADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000581508490 1070980745 /nfs/dbraw/zinc/98/07/45/1070980745.db2.gz PYWAEGSDHNAVHI-IAGOWNOFSA-N 1 2 432.525 -0.255 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000581508491 1070980781 /nfs/dbraw/zinc/98/07/81/1070980781.db2.gz PYWAEGSDHNAVHI-IRXDYDNUSA-N 1 2 432.525 -0.255 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000581508492 1070980718 /nfs/dbraw/zinc/98/07/18/1070980718.db2.gz PYWAEGSDHNAVHI-SJORKVTESA-N 1 2 432.525 -0.255 20 0 IBADLO COC(=O)Cc1occ(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000581517441 1070981500 /nfs/dbraw/zinc/98/15/00/1070981500.db2.gz FGWUADGPDGDLAM-UHFFFAOYSA-N 1 2 428.511 -0.446 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000581571700 1070983588 /nfs/dbraw/zinc/98/35/88/1070983588.db2.gz XSHCDYSWWRISBY-PMACEKPBSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000581571701 1070984018 /nfs/dbraw/zinc/98/40/18/1070984018.db2.gz XSHCDYSWWRISBY-UXHICEINSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000581571702 1070983996 /nfs/dbraw/zinc/98/39/96/1070983996.db2.gz XSHCDYSWWRISBY-VQTJNVASSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000581571703 1070983816 /nfs/dbraw/zinc/98/38/16/1070983816.db2.gz XSHCDYSWWRISBY-WOJBJXKFSA-N 1 2 446.548 -0.512 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000581578506 1073304419 /nfs/dbraw/zinc/30/44/19/1073304419.db2.gz FSUXGSRUWMCNOF-UHFFFAOYSA-N 1 2 427.509 0.296 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000581613767 1070986374 /nfs/dbraw/zinc/98/63/74/1070986374.db2.gz WDSODPIYORKDCR-DLBZAZTESA-N 1 2 440.566 -0.611 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000581613768 1070985996 /nfs/dbraw/zinc/98/59/96/1070985996.db2.gz WDSODPIYORKDCR-IAGOWNOFSA-N 1 2 440.566 -0.611 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000581613769 1070986042 /nfs/dbraw/zinc/98/60/42/1070986042.db2.gz WDSODPIYORKDCR-IRXDYDNUSA-N 1 2 440.566 -0.611 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000581613770 1070986294 /nfs/dbraw/zinc/98/62/94/1070986294.db2.gz WDSODPIYORKDCR-SJORKVTESA-N 1 2 440.566 -0.611 20 0 IBADLO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000581621240 1070985945 /nfs/dbraw/zinc/98/59/45/1070985945.db2.gz IMQYIQMEKAOZQB-UHFFFAOYSA-N 1 2 445.568 -0.572 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000581621602 1070986985 /nfs/dbraw/zinc/98/69/85/1070986985.db2.gz ZKSORLHUUATGGV-UHFFFAOYSA-N 1 2 441.529 -0.613 20 0 IBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000581622902 1070986889 /nfs/dbraw/zinc/98/68/89/1070986889.db2.gz JRABAUYLQDAOAA-UHFFFAOYSA-N 1 2 429.543 -0.322 20 0 IBADLO CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000581625492 1070987008 /nfs/dbraw/zinc/98/70/08/1070987008.db2.gz KFPUVXSEOSZZRC-KRWDZBQOSA-N 1 2 438.554 -0.715 20 0 IBADLO CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000581625493 1070987056 /nfs/dbraw/zinc/98/70/56/1070987056.db2.gz KFPUVXSEOSZZRC-QGZVFWFLSA-N 1 2 438.554 -0.715 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000581628414 1070987573 /nfs/dbraw/zinc/98/75/73/1070987573.db2.gz YIFVEANRJRGZGN-UHFFFAOYSA-N 1 2 433.900 0.351 20 0 IBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000581628414 1070987558 /nfs/dbraw/zinc/98/75/58/1070987558.db2.gz YIFVEANRJRGZGN-UHFFFAOYSA-N 1 2 433.900 0.351 20 0 IBADLO CCN(CCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000581681469 1070990583 /nfs/dbraw/zinc/99/05/83/1070990583.db2.gz RCOXVSDAYKMLST-UHFFFAOYSA-N 1 2 439.582 -0.287 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000581683134 1070990730 /nfs/dbraw/zinc/99/07/30/1070990730.db2.gz CFAQNTOJXWJJQI-UHFFFAOYSA-N 1 2 436.476 -0.530 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000581692711 1070991434 /nfs/dbraw/zinc/99/14/34/1070991434.db2.gz NNPGLTIRBWGOPL-HNNXBMFYSA-N 1 2 429.502 -0.083 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000581692712 1070991404 /nfs/dbraw/zinc/99/14/04/1070991404.db2.gz NNPGLTIRBWGOPL-OAHLLOKOSA-N 1 2 429.502 -0.083 20 0 IBADLO CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2COC[C@H]2O)[N@H+]1Cc1ccccc1)[C@@H]1COC[C@H]1O ZINC000581698577 1070992007 /nfs/dbraw/zinc/99/20/07/1070992007.db2.gz LCZAPAAGTHKHGN-KXXIFBCNSA-N 1 2 447.532 -0.544 20 0 IBADLO CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2COC[C@H]2O)[N@@H+]1Cc1ccccc1)[C@@H]1COC[C@H]1O ZINC000581698577 1070991993 /nfs/dbraw/zinc/99/19/93/1070991993.db2.gz LCZAPAAGTHKHGN-KXXIFBCNSA-N 1 2 447.532 -0.544 20 0 IBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000581718199 1070992979 /nfs/dbraw/zinc/99/29/79/1070992979.db2.gz AATYTFTUSMWSSQ-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000581718199 1070992974 /nfs/dbraw/zinc/99/29/74/1070992974.db2.gz AATYTFTUSMWSSQ-INIZCTEOSA-N 1 2 445.524 -0.911 20 0 IBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000581718200 1070992847 /nfs/dbraw/zinc/99/28/47/1070992847.db2.gz AATYTFTUSMWSSQ-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000581718200 1070992838 /nfs/dbraw/zinc/99/28/38/1070992838.db2.gz AATYTFTUSMWSSQ-MRXNPFEDSA-N 1 2 445.524 -0.911 20 0 IBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000581898812 1071005841 /nfs/dbraw/zinc/00/58/41/1071005841.db2.gz NAVBJXXFWSPQOQ-GOSISDBHSA-N 1 2 437.566 -0.535 20 0 IBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000581898813 1071006350 /nfs/dbraw/zinc/00/63/50/1071006350.db2.gz NAVBJXXFWSPQOQ-SFHVURJKSA-N 1 2 437.566 -0.535 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000582019228 1071063680 /nfs/dbraw/zinc/06/36/80/1071063680.db2.gz FCGOPJYKOCDUNZ-DLBZAZTESA-N 1 2 433.509 -0.501 20 0 IBADLO COC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000582019229 1071063545 /nfs/dbraw/zinc/06/35/45/1071063545.db2.gz FCGOPJYKOCDUNZ-IAGOWNOFSA-N 1 2 433.509 -0.501 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000582019230 1071063623 /nfs/dbraw/zinc/06/36/23/1071063623.db2.gz FCGOPJYKOCDUNZ-IRXDYDNUSA-N 1 2 433.509 -0.501 20 0 IBADLO COC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000582019231 1071063596 /nfs/dbraw/zinc/06/35/96/1071063596.db2.gz FCGOPJYKOCDUNZ-SJORKVTESA-N 1 2 433.509 -0.501 20 0 IBADLO CCNC(=O)C1(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1 ZINC000582089405 1071069822 /nfs/dbraw/zinc/06/98/22/1071069822.db2.gz DURILEXCJQJRJP-UHFFFAOYSA-N 1 2 428.497 -0.566 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000582204670 1071077506 /nfs/dbraw/zinc/07/75/06/1071077506.db2.gz GJERTBJXEYJIRD-IIDMSEBBSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000582204670 1071077497 /nfs/dbraw/zinc/07/74/97/1071077497.db2.gz GJERTBJXEYJIRD-IIDMSEBBSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000582204671 1071077455 /nfs/dbraw/zinc/07/74/55/1071077455.db2.gz GJERTBJXEYJIRD-RKVPGOIHSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000582204671 1071077442 /nfs/dbraw/zinc/07/74/42/1071077442.db2.gz GJERTBJXEYJIRD-RKVPGOIHSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000582204672 1071077765 /nfs/dbraw/zinc/07/77/65/1071077765.db2.gz GJERTBJXEYJIRD-RVKKMQEKSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000582204672 1071077749 /nfs/dbraw/zinc/07/77/49/1071077749.db2.gz GJERTBJXEYJIRD-RVKKMQEKSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000582204673 1071078093 /nfs/dbraw/zinc/07/80/93/1071078093.db2.gz GJERTBJXEYJIRD-VKJFTORMSA-N 1 2 427.523 -0.290 20 0 IBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000582204673 1071078079 /nfs/dbraw/zinc/07/80/79/1071078079.db2.gz GJERTBJXEYJIRD-VKJFTORMSA-N 1 2 427.523 -0.290 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC000582212158 1071078414 /nfs/dbraw/zinc/07/84/14/1071078414.db2.gz VHKPBMLYGPKHIR-UHFFFAOYSA-N 1 2 425.555 -0.230 20 0 IBADLO CO[C@@H]1COC[C@H]1n1cc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)nn1 ZINC000582270855 1071080427 /nfs/dbraw/zinc/08/04/27/1071080427.db2.gz XRCFOQGFOFYTDW-QZTJIDSGSA-N 1 2 444.496 -0.031 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000582326016 1071083077 /nfs/dbraw/zinc/08/30/77/1071083077.db2.gz KIWCXQMSGJIAPJ-MYZZLAAOSA-N 1 2 432.525 -0.482 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000582326017 1071082954 /nfs/dbraw/zinc/08/29/54/1071082954.db2.gz KIWCXQMSGJIAPJ-NWGLXNPWSA-N 1 2 432.525 -0.482 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cn1 ZINC000582326018 1071083106 /nfs/dbraw/zinc/08/31/06/1071083106.db2.gz KIWCXQMSGJIAPJ-RUENVJTFSA-N 1 2 432.525 -0.482 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000582326019 1071083160 /nfs/dbraw/zinc/08/31/60/1071083160.db2.gz KIWCXQMSGJIAPJ-WFEDQXDTSA-N 1 2 432.525 -0.482 20 0 IBADLO CN(Cc1ccccn1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000582374192 1071086015 /nfs/dbraw/zinc/08/60/15/1071086015.db2.gz FHWOBDMXIGJMCM-UHFFFAOYSA-N 1 2 446.533 -0.297 20 0 IBADLO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 ZINC000582374463 1071085857 /nfs/dbraw/zinc/08/58/57/1071085857.db2.gz QDILRBGGBZCFNJ-KRWDZBQOSA-N 1 2 445.564 -0.150 20 0 IBADLO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 ZINC000582374464 1071086050 /nfs/dbraw/zinc/08/60/50/1071086050.db2.gz QDILRBGGBZCFNJ-QGZVFWFLSA-N 1 2 445.564 -0.150 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000582394794 1071089118 /nfs/dbraw/zinc/08/91/18/1071089118.db2.gz BGIBNHSZIHCXJC-AWEZNQCLSA-N 1 2 445.476 -0.227 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000582394795 1071088945 /nfs/dbraw/zinc/08/89/45/1071088945.db2.gz BGIBNHSZIHCXJC-CQSZACIVSA-N 1 2 445.476 -0.227 20 0 IBADLO Cc1ncc2c(n1)CCN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000582436895 1071090367 /nfs/dbraw/zinc/09/03/67/1071090367.db2.gz PCDAQJJFMHXTCZ-UHFFFAOYSA-N 1 2 437.504 -0.080 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000582451373 1071092866 /nfs/dbraw/zinc/09/28/66/1071092866.db2.gz HMZSPPWGSVYDHC-LBKNJMOBSA-N 1 2 446.552 -0.092 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)C[C@H]1[NH+]1CCOCC1 ZINC000582451374 1071092662 /nfs/dbraw/zinc/09/26/62/1071092662.db2.gz HMZSPPWGSVYDHC-MMTROXRISA-N 1 2 446.552 -0.092 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000582451375 1071092594 /nfs/dbraw/zinc/09/25/94/1071092594.db2.gz HMZSPPWGSVYDHC-NFBUACBFSA-N 1 2 446.552 -0.092 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)C[C@H]1[NH+]1CCOCC1 ZINC000582451376 1071092629 /nfs/dbraw/zinc/09/26/29/1071092629.db2.gz HMZSPPWGSVYDHC-UIXUWTQFSA-N 1 2 446.552 -0.092 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000582509008 1071095664 /nfs/dbraw/zinc/09/56/64/1071095664.db2.gz VTIKGHLGGQWNPQ-DOTOQJQBSA-N 1 2 436.484 -0.411 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000582509017 1071095545 /nfs/dbraw/zinc/09/55/45/1071095545.db2.gz VTIKGHLGGQWNPQ-NVXWUHKLSA-N 1 2 436.484 -0.411 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000582509018 1071095692 /nfs/dbraw/zinc/09/56/92/1071095692.db2.gz VTIKGHLGGQWNPQ-RDJZCZTQSA-N 1 2 436.484 -0.411 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000582509019 1071095672 /nfs/dbraw/zinc/09/56/72/1071095672.db2.gz VTIKGHLGGQWNPQ-WBVHZDCISA-N 1 2 436.484 -0.411 20 0 IBADLO Cc1cc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000582596598 1071099739 /nfs/dbraw/zinc/09/97/39/1071099739.db2.gz QZKNMRFZELOLQC-UHFFFAOYSA-N 1 2 436.494 -0.738 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836413 1071127211 /nfs/dbraw/zinc/12/72/11/1071127211.db2.gz HDPLSNHOHTYMQG-DZGCQCFKSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836413 1071127199 /nfs/dbraw/zinc/12/71/99/1071127199.db2.gz HDPLSNHOHTYMQG-DZGCQCFKSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836414 1071127421 /nfs/dbraw/zinc/12/74/21/1071127421.db2.gz HDPLSNHOHTYMQG-HIFRSBDPSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836414 1071127410 /nfs/dbraw/zinc/12/74/10/1071127410.db2.gz HDPLSNHOHTYMQG-HIFRSBDPSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836415 1071127396 /nfs/dbraw/zinc/12/73/96/1071127396.db2.gz HDPLSNHOHTYMQG-UKRRQHHQSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836415 1071127390 /nfs/dbraw/zinc/12/73/90/1071127390.db2.gz HDPLSNHOHTYMQG-UKRRQHHQSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836416 1071127151 /nfs/dbraw/zinc/12/71/51/1071127151.db2.gz HDPLSNHOHTYMQG-ZFWWWQNUSA-N 1 2 429.543 -0.295 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000582836416 1071127141 /nfs/dbraw/zinc/12/71/41/1071127141.db2.gz HDPLSNHOHTYMQG-ZFWWWQNUSA-N 1 2 429.543 -0.295 20 0 IBADLO O=C(CCNC(=O)C(=O)N(CCO)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000582836809 1071127245 /nfs/dbraw/zinc/12/72/45/1071127245.db2.gz QQXNEKMVZSBSNN-UHFFFAOYSA-N 1 2 433.509 -0.764 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000582848950 1071127068 /nfs/dbraw/zinc/12/70/68/1071127068.db2.gz FLRPKDBAXPXWRA-UHFFFAOYSA-N 1 2 432.930 -0.475 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000582874276 1071130622 /nfs/dbraw/zinc/13/06/22/1071130622.db2.gz GUHKVHATWXELBR-UHFFFAOYSA-N 1 2 443.595 -0.153 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000582874276 1071130615 /nfs/dbraw/zinc/13/06/15/1071130615.db2.gz GUHKVHATWXELBR-UHFFFAOYSA-N 1 2 443.595 -0.153 20 0 IBADLO C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000582898472 1071132378 /nfs/dbraw/zinc/13/23/78/1071132378.db2.gz RUKIBYSIXOLTPO-GFCCVEGCSA-N 1 2 429.465 -0.874 20 0 IBADLO C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000582898473 1071132195 /nfs/dbraw/zinc/13/21/95/1071132195.db2.gz RUKIBYSIXOLTPO-LBPRGKRZSA-N 1 2 429.465 -0.874 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000582917805 1071133836 /nfs/dbraw/zinc/13/38/36/1071133836.db2.gz IQHHCGZILRZQBZ-UHFFFAOYSA-N 1 2 426.477 -0.529 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)(N2CCOCC2)C1 ZINC000583051829 1071147489 /nfs/dbraw/zinc/14/74/89/1071147489.db2.gz HVTSYZVVADXFQI-JREAUHRESA-N 1 2 440.585 -0.060 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)(N2CCOCC2)C1 ZINC000583051829 1071147485 /nfs/dbraw/zinc/14/74/85/1071147485.db2.gz HVTSYZVVADXFQI-JREAUHRESA-N 1 2 440.585 -0.060 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000583166143 1071152735 /nfs/dbraw/zinc/15/27/35/1071152735.db2.gz DUMXIKPPRGMMIM-KRWDZBQOSA-N 1 2 444.540 -0.362 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000583166144 1071152761 /nfs/dbraw/zinc/15/27/61/1071152761.db2.gz DUMXIKPPRGMMIM-QGZVFWFLSA-N 1 2 444.540 -0.362 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000583238270 1071155983 /nfs/dbraw/zinc/15/59/83/1071155983.db2.gz KKDBXLWTFDFSGM-DLBZAZTESA-N 1 2 430.509 -0.284 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000583238271 1071155995 /nfs/dbraw/zinc/15/59/95/1071155995.db2.gz KKDBXLWTFDFSGM-IAGOWNOFSA-N 1 2 430.509 -0.284 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000583238272 1071155745 /nfs/dbraw/zinc/15/57/45/1071155745.db2.gz KKDBXLWTFDFSGM-IRXDYDNUSA-N 1 2 430.509 -0.284 20 0 IBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000583238273 1071155928 /nfs/dbraw/zinc/15/59/28/1071155928.db2.gz KKDBXLWTFDFSGM-SJORKVTESA-N 1 2 430.509 -0.284 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000583286240 1071158030 /nfs/dbraw/zinc/15/80/30/1071158030.db2.gz HTGGCDTWUAUNIJ-DLBZAZTESA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000583286241 1071158236 /nfs/dbraw/zinc/15/82/36/1071158236.db2.gz HTGGCDTWUAUNIJ-IAGOWNOFSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000583286242 1071158170 /nfs/dbraw/zinc/15/81/70/1071158170.db2.gz HTGGCDTWUAUNIJ-IRXDYDNUSA-N 1 2 438.912 -0.287 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000583286243 1071158191 /nfs/dbraw/zinc/15/81/91/1071158191.db2.gz HTGGCDTWUAUNIJ-SJORKVTESA-N 1 2 438.912 -0.287 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCn2ncnc2C1 ZINC000583328499 1071159847 /nfs/dbraw/zinc/15/98/47/1071159847.db2.gz OBZNOMPWVNRXLO-HNNXBMFYSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCn2ncnc2C1 ZINC000583328499 1071159840 /nfs/dbraw/zinc/15/98/40/1071159840.db2.gz OBZNOMPWVNRXLO-HNNXBMFYSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCn2ncnc2C1 ZINC000583328500 1071159830 /nfs/dbraw/zinc/15/98/30/1071159830.db2.gz OBZNOMPWVNRXLO-OAHLLOKOSA-N 1 2 441.496 -0.968 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCn2ncnc2C1 ZINC000583328500 1071159823 /nfs/dbraw/zinc/15/98/23/1071159823.db2.gz OBZNOMPWVNRXLO-OAHLLOKOSA-N 1 2 441.496 -0.968 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]c(C)n4)CC3)C2=O)n(C)n1 ZINC000583460424 1071167923 /nfs/dbraw/zinc/16/79/23/1071167923.db2.gz BBHKASNMCCVEKE-HNNXBMFYSA-N 1 2 426.481 -0.603 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]c(C)n4)CC3)C2=O)n(C)n1 ZINC000583460425 1071167792 /nfs/dbraw/zinc/16/77/92/1071167792.db2.gz BBHKASNMCCVEKE-OAHLLOKOSA-N 1 2 426.481 -0.603 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000583467331 1071168776 /nfs/dbraw/zinc/16/87/76/1071168776.db2.gz WYFODBAUJZIKOT-UHFFFAOYSA-N 1 2 431.478 -0.060 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523371 1071171273 /nfs/dbraw/zinc/17/12/73/1071171273.db2.gz XMRSKOCWXZKTGZ-BBRMVZONSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523371 1071171269 /nfs/dbraw/zinc/17/12/69/1071171269.db2.gz XMRSKOCWXZKTGZ-BBRMVZONSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523372 1071171778 /nfs/dbraw/zinc/17/17/78/1071171778.db2.gz XMRSKOCWXZKTGZ-CJNGLKHVSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523372 1071171770 /nfs/dbraw/zinc/17/17/70/1071171770.db2.gz XMRSKOCWXZKTGZ-CJNGLKHVSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523373 1071171919 /nfs/dbraw/zinc/17/19/19/1071171919.db2.gz XMRSKOCWXZKTGZ-CZUORRHYSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523373 1071171914 /nfs/dbraw/zinc/17/19/14/1071171914.db2.gz XMRSKOCWXZKTGZ-CZUORRHYSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523374 1071171891 /nfs/dbraw/zinc/17/18/91/1071171891.db2.gz XMRSKOCWXZKTGZ-XJKSGUPXSA-N 1 2 447.941 -0.026 20 0 IBADLO O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000583523374 1071171885 /nfs/dbraw/zinc/17/18/85/1071171885.db2.gz XMRSKOCWXZKTGZ-XJKSGUPXSA-N 1 2 447.941 -0.026 20 0 IBADLO NC(=O)c1ccc(N2CC[NH+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000583588992 1071174714 /nfs/dbraw/zinc/17/47/14/1071174714.db2.gz YIPWBXSDRYMJIP-UHFFFAOYSA-N 1 2 445.545 -0.086 20 0 IBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583618597 1071181513 /nfs/dbraw/zinc/18/15/13/1071181513.db2.gz QNUZJRGNWSQCGH-INIZCTEOSA-N 1 2 447.540 -0.617 20 0 IBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583618597 1071181499 /nfs/dbraw/zinc/18/14/99/1071181499.db2.gz QNUZJRGNWSQCGH-INIZCTEOSA-N 1 2 447.540 -0.617 20 0 IBADLO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583618598 1071181591 /nfs/dbraw/zinc/18/15/91/1071181591.db2.gz QNUZJRGNWSQCGH-MRXNPFEDSA-N 1 2 447.540 -0.617 20 0 IBADLO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583618598 1071181583 /nfs/dbraw/zinc/18/15/83/1071181583.db2.gz QNUZJRGNWSQCGH-MRXNPFEDSA-N 1 2 447.540 -0.617 20 0 IBADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)no1 ZINC000583648415 1071193682 /nfs/dbraw/zinc/19/36/82/1071193682.db2.gz IYNRIJAOMZGFCR-AWEZNQCLSA-N 1 2 433.517 -0.487 20 0 IBADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)no1 ZINC000583648416 1071193765 /nfs/dbraw/zinc/19/37/65/1071193765.db2.gz IYNRIJAOMZGFCR-CQSZACIVSA-N 1 2 433.517 -0.487 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000583778965 1071201637 /nfs/dbraw/zinc/20/16/37/1071201637.db2.gz WPNAHCYUBDBOGD-CYBMUJFWSA-N 1 2 438.535 -0.388 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000583778966 1071201559 /nfs/dbraw/zinc/20/15/59/1071201559.db2.gz WPNAHCYUBDBOGD-ZDUSSCGKSA-N 1 2 438.535 -0.388 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583842263 1071204772 /nfs/dbraw/zinc/20/47/72/1071204772.db2.gz LGTOYYSYMMNXAX-DLBZAZTESA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583842263 1071204760 /nfs/dbraw/zinc/20/47/60/1071204760.db2.gz LGTOYYSYMMNXAX-DLBZAZTESA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583842264 1071204712 /nfs/dbraw/zinc/20/47/12/1071204712.db2.gz LGTOYYSYMMNXAX-IAGOWNOFSA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583842264 1071204705 /nfs/dbraw/zinc/20/47/05/1071204705.db2.gz LGTOYYSYMMNXAX-IAGOWNOFSA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583842265 1071204866 /nfs/dbraw/zinc/20/48/66/1071204866.db2.gz LGTOYYSYMMNXAX-IRXDYDNUSA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583842265 1071204854 /nfs/dbraw/zinc/20/48/54/1071204854.db2.gz LGTOYYSYMMNXAX-IRXDYDNUSA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583842266 1071204662 /nfs/dbraw/zinc/20/46/62/1071204662.db2.gz LGTOYYSYMMNXAX-SJORKVTESA-N 1 2 432.525 -0.130 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583842266 1071204653 /nfs/dbraw/zinc/20/46/53/1071204653.db2.gz LGTOYYSYMMNXAX-SJORKVTESA-N 1 2 432.525 -0.130 20 0 IBADLO COCCN1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000583885755 1071205361 /nfs/dbraw/zinc/20/53/61/1071205361.db2.gz GWEKGCDPVUIXJT-UHFFFAOYSA-N 1 2 431.537 -0.004 20 0 IBADLO CO[C@@H]1COC[C@H]1n1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000583904536 1071207018 /nfs/dbraw/zinc/20/70/18/1071207018.db2.gz AQKNEBBNPQIECI-IAGOWNOFSA-N 1 2 431.501 -0.724 20 0 IBADLO Cc1cc(C)n(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)n1 ZINC000583951097 1071207787 /nfs/dbraw/zinc/20/77/87/1071207787.db2.gz MGOKYVRLLSWWTI-KRWDZBQOSA-N 1 2 441.536 -0.177 20 0 IBADLO Cc1cc(C)n(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)n1 ZINC000583951098 1071207711 /nfs/dbraw/zinc/20/77/11/1071207711.db2.gz MGOKYVRLLSWWTI-QGZVFWFLSA-N 1 2 441.536 -0.177 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(S(=O)(=O)NC)CC2)c(=O)[nH]c1=O ZINC000584066970 1071214186 /nfs/dbraw/zinc/21/41/86/1071214186.db2.gz VGAWGEPECJJJJV-UHFFFAOYSA-N 1 2 444.558 -0.302 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1)NC1CC1 ZINC000584127344 1071215989 /nfs/dbraw/zinc/21/59/89/1071215989.db2.gz XHRBMBWVGFIZAV-FQEVSTJZSA-N 1 2 443.548 -0.574 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1)NC1CC1 ZINC000584127344 1071215986 /nfs/dbraw/zinc/21/59/86/1071215986.db2.gz XHRBMBWVGFIZAV-FQEVSTJZSA-N 1 2 443.548 -0.574 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1)NC1CC1 ZINC000584127345 1071215912 /nfs/dbraw/zinc/21/59/12/1071215912.db2.gz XHRBMBWVGFIZAV-HXUWFJFHSA-N 1 2 443.548 -0.574 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1)NC1CC1 ZINC000584127345 1071215904 /nfs/dbraw/zinc/21/59/04/1071215904.db2.gz XHRBMBWVGFIZAV-HXUWFJFHSA-N 1 2 443.548 -0.574 20 0 IBADLO COc1ncccc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000584246451 1071219071 /nfs/dbraw/zinc/21/90/71/1071219071.db2.gz QPOMXETXORHLOQ-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COc1ncccc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000584246451 1071219067 /nfs/dbraw/zinc/21/90/67/1071219067.db2.gz QPOMXETXORHLOQ-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO CCOCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584304728 1071219636 /nfs/dbraw/zinc/21/96/36/1071219636.db2.gz HDQNGUJROARWFS-UHFFFAOYSA-N 1 2 427.527 -0.808 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000584355896 1071221331 /nfs/dbraw/zinc/22/13/31/1071221331.db2.gz QBUPXHKNDSNRLN-UHFFFAOYSA-N 1 2 428.497 -0.635 20 0 IBADLO O=C(NCCCn1cccn1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000584355896 1071221323 /nfs/dbraw/zinc/22/13/23/1071221323.db2.gz QBUPXHKNDSNRLN-UHFFFAOYSA-N 1 2 428.497 -0.635 20 0 IBADLO Cn1nc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C1CC1 ZINC000584441087 1073307354 /nfs/dbraw/zinc/30/73/54/1073307354.db2.gz XJIJBJOUHSTGHW-UHFFFAOYSA-N 1 2 440.508 0.211 20 0 IBADLO Cn1nc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C1CC1 ZINC000584441087 1073307351 /nfs/dbraw/zinc/30/73/51/1073307351.db2.gz XJIJBJOUHSTGHW-UHFFFAOYSA-N 1 2 440.508 0.211 20 0 IBADLO CN(CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(F)(F)F ZINC000584486384 1071281380 /nfs/dbraw/zinc/28/13/80/1071281380.db2.gz BEOCLNAPUYLNMM-UHFFFAOYSA-N 1 2 428.419 -0.378 20 0 IBADLO CCOCCN(CC)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584520563 1071322784 /nfs/dbraw/zinc/32/27/84/1071322784.db2.gz KPYVGKPQVZSFEW-UHFFFAOYSA-N 1 2 441.554 -0.465 20 0 IBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584581431 1071355029 /nfs/dbraw/zinc/35/50/29/1071355029.db2.gz UQIMMDKGZJKKDK-KRWDZBQOSA-N 1 2 432.525 -0.927 20 0 IBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584581432 1071354975 /nfs/dbraw/zinc/35/49/75/1071354975.db2.gz UQIMMDKGZJKKDK-QGZVFWFLSA-N 1 2 432.525 -0.927 20 0 IBADLO COCCN1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000584710976 1071357906 /nfs/dbraw/zinc/35/79/06/1071357906.db2.gz KQKOHNBIHUPIQD-UHFFFAOYSA-N 1 2 434.537 -0.196 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000584742878 1071359618 /nfs/dbraw/zinc/35/96/18/1071359618.db2.gz NXAOAXLRZUQBDP-MSOLQXFVSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000584742878 1071359602 /nfs/dbraw/zinc/35/96/02/1071359602.db2.gz NXAOAXLRZUQBDP-MSOLQXFVSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1 ZINC000584742879 1071359761 /nfs/dbraw/zinc/35/97/61/1071359761.db2.gz NXAOAXLRZUQBDP-QZTJIDSGSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1 ZINC000584742879 1071359742 /nfs/dbraw/zinc/35/97/42/1071359742.db2.gz NXAOAXLRZUQBDP-QZTJIDSGSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000584742880 1071359875 /nfs/dbraw/zinc/35/98/75/1071359875.db2.gz NXAOAXLRZUQBDP-ROUUACIJSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000584742880 1071359862 /nfs/dbraw/zinc/35/98/62/1071359862.db2.gz NXAOAXLRZUQBDP-ROUUACIJSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1 ZINC000584742881 1071359992 /nfs/dbraw/zinc/35/99/92/1071359992.db2.gz NXAOAXLRZUQBDP-ZWKOTPCHSA-N 1 2 442.557 -0.674 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1 ZINC000584742881 1071359979 /nfs/dbraw/zinc/35/99/79/1071359979.db2.gz NXAOAXLRZUQBDP-ZWKOTPCHSA-N 1 2 442.557 -0.674 20 0 IBADLO O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000584856689 1071363454 /nfs/dbraw/zinc/36/34/54/1071363454.db2.gz ACZPGUVFORPWFG-UHFFFAOYSA-N 1 2 432.506 -0.236 20 0 IBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C[C@@H]1C ZINC000584861243 1071363624 /nfs/dbraw/zinc/36/36/24/1071363624.db2.gz CONMJJOSVWYGAD-DLBZAZTESA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C[C@@H]1C ZINC000584861243 1071363618 /nfs/dbraw/zinc/36/36/18/1071363618.db2.gz CONMJJOSVWYGAD-DLBZAZTESA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C[C@H]1C ZINC000584861244 1071363424 /nfs/dbraw/zinc/36/34/24/1071363424.db2.gz CONMJJOSVWYGAD-IAGOWNOFSA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C[C@H]1C ZINC000584861244 1071363412 /nfs/dbraw/zinc/36/34/12/1071363412.db2.gz CONMJJOSVWYGAD-IAGOWNOFSA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C[C@@H]1C ZINC000584861245 1071363506 /nfs/dbraw/zinc/36/35/06/1071363506.db2.gz CONMJJOSVWYGAD-IRXDYDNUSA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C[C@@H]1C ZINC000584861245 1071363496 /nfs/dbraw/zinc/36/34/96/1071363496.db2.gz CONMJJOSVWYGAD-IRXDYDNUSA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C[C@H]1C ZINC000584861246 1071363384 /nfs/dbraw/zinc/36/33/84/1071363384.db2.gz CONMJJOSVWYGAD-SJORKVTESA-N 1 2 444.540 -0.364 20 0 IBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C[C@H]1C ZINC000584861246 1071363369 /nfs/dbraw/zinc/36/33/69/1071363369.db2.gz CONMJJOSVWYGAD-SJORKVTESA-N 1 2 444.540 -0.364 20 0 IBADLO COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)nn1 ZINC000585761930 1071459976 /nfs/dbraw/zinc/45/99/76/1071459976.db2.gz GOKLGRHVVLKREY-UHFFFAOYSA-N 1 2 443.464 -0.793 20 0 IBADLO C[C@@]1(c2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000586839994 1073676296 /nfs/dbraw/zinc/67/62/96/1073676296.db2.gz QJPIGBWMLXXBKJ-AOMKIAJQSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@]1(c2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000586839995 1073676198 /nfs/dbraw/zinc/67/61/98/1073676198.db2.gz QJPIGBWMLXXBKJ-KSFYIVLOSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@]1(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000586839996 1073676220 /nfs/dbraw/zinc/67/62/20/1073676220.db2.gz QJPIGBWMLXXBKJ-OPAMFIHVSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@@]1(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000586839997 1073676274 /nfs/dbraw/zinc/67/62/74/1073676274.db2.gz QJPIGBWMLXXBKJ-ZHRRBRCNSA-N 1 2 443.504 -0.462 20 0 IBADLO O=C(CCNC(=O)NCCCN1CCCS1(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000587119198 1073677484 /nfs/dbraw/zinc/67/74/84/1073677484.db2.gz VPPSTJQLKNKRGW-UHFFFAOYSA-N 1 2 438.554 -0.155 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)c2)CC1 ZINC000587980929 1072165785 /nfs/dbraw/zinc/16/57/85/1072165785.db2.gz ABGSVOXPKFHHMP-UHFFFAOYSA-N 1 2 437.566 -0.086 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000588159245 1072169431 /nfs/dbraw/zinc/16/94/31/1072169431.db2.gz GPTCUSCDDFEKQB-CVEARBPZSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000588159245 1072169424 /nfs/dbraw/zinc/16/94/24/1072169424.db2.gz GPTCUSCDDFEKQB-CVEARBPZSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000588159246 1072169452 /nfs/dbraw/zinc/16/94/52/1072169452.db2.gz GPTCUSCDDFEKQB-HOTGVXAUSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000588159246 1072169447 /nfs/dbraw/zinc/16/94/47/1072169447.db2.gz GPTCUSCDDFEKQB-HOTGVXAUSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000588159247 1072169300 /nfs/dbraw/zinc/16/93/00/1072169300.db2.gz GPTCUSCDDFEKQB-HZPDHXFCSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000588159247 1072169296 /nfs/dbraw/zinc/16/92/96/1072169296.db2.gz GPTCUSCDDFEKQB-HZPDHXFCSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000588159248 1072169473 /nfs/dbraw/zinc/16/94/73/1072169473.db2.gz GPTCUSCDDFEKQB-JKSUJKDBSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000588159248 1072169464 /nfs/dbraw/zinc/16/94/64/1072169464.db2.gz GPTCUSCDDFEKQB-JKSUJKDBSA-N 1 2 445.520 -0.424 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)[C@@H](C)C1 ZINC000588204732 1072172844 /nfs/dbraw/zinc/17/28/44/1072172844.db2.gz COSAYARVPXBTOH-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)[C@@H](C)C1 ZINC000588204732 1072172840 /nfs/dbraw/zinc/17/28/40/1072172840.db2.gz COSAYARVPXBTOH-INIZCTEOSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)[C@H](C)C1 ZINC000588204733 1072173388 /nfs/dbraw/zinc/17/33/88/1072173388.db2.gz COSAYARVPXBTOH-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)[C@H](C)C1 ZINC000588204733 1072173382 /nfs/dbraw/zinc/17/33/82/1072173382.db2.gz COSAYARVPXBTOH-MRXNPFEDSA-N 1 2 433.509 -0.370 20 0 IBADLO CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000588214146 1072174167 /nfs/dbraw/zinc/17/41/67/1072174167.db2.gz HPHGHIJFWJNEPN-IBGZPJMESA-N 1 2 435.550 -0.399 20 0 IBADLO COc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000588235682 1072175048 /nfs/dbraw/zinc/17/50/48/1072175048.db2.gz WZYTZIUGJXYWIK-UHFFFAOYSA-N 1 2 446.595 -0.421 20 0 IBADLO O=C(CCNC(=O)NCCNC(=O)c1cnccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000588291770 1072176883 /nfs/dbraw/zinc/17/68/83/1072176883.db2.gz IVNZRANBKIUDEA-UHFFFAOYSA-N 1 2 426.481 -0.361 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3cnccn3)c2)CC1 ZINC000588327409 1072178095 /nfs/dbraw/zinc/17/80/95/1072178095.db2.gz NBLJNZCMYGNODI-UHFFFAOYSA-N 1 2 425.493 -0.291 20 0 IBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000588676761 1072180835 /nfs/dbraw/zinc/18/08/35/1072180835.db2.gz HBCDCDKTTIGOGU-UHFFFAOYSA-N 1 2 430.552 -0.285 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000588735762 1072180776 /nfs/dbraw/zinc/18/07/76/1072180776.db2.gz VWJCRBBWEQADPI-UHFFFAOYSA-N 1 2 426.412 -0.111 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000588765421 1072183010 /nfs/dbraw/zinc/18/30/10/1072183010.db2.gz MRUXDJLFGOVDTF-DLBZAZTESA-N 1 2 446.533 -0.009 20 0 IBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000588765422 1072183136 /nfs/dbraw/zinc/18/31/36/1072183136.db2.gz MRUXDJLFGOVDTF-IAGOWNOFSA-N 1 2 446.533 -0.009 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000588765423 1072182984 /nfs/dbraw/zinc/18/29/84/1072182984.db2.gz MRUXDJLFGOVDTF-IRXDYDNUSA-N 1 2 446.533 -0.009 20 0 IBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000588765424 1072183079 /nfs/dbraw/zinc/18/30/79/1072183079.db2.gz MRUXDJLFGOVDTF-SJORKVTESA-N 1 2 446.533 -0.009 20 0 IBADLO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000588833192 1072187290 /nfs/dbraw/zinc/18/72/90/1072187290.db2.gz VKDBVLUKNXKIOT-GOSISDBHSA-N 1 2 432.521 -0.239 20 0 IBADLO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000588833192 1072187284 /nfs/dbraw/zinc/18/72/84/1072187284.db2.gz VKDBVLUKNXKIOT-GOSISDBHSA-N 1 2 432.521 -0.239 20 0 IBADLO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H]1COc2ccccc2O1 ZINC000588833193 1072187506 /nfs/dbraw/zinc/18/75/06/1072187506.db2.gz VKDBVLUKNXKIOT-SFHVURJKSA-N 1 2 432.521 -0.239 20 0 IBADLO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H]1COc2ccccc2O1 ZINC000588833193 1072187500 /nfs/dbraw/zinc/18/75/00/1072187500.db2.gz VKDBVLUKNXKIOT-SFHVURJKSA-N 1 2 432.521 -0.239 20 0 IBADLO CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc1C ZINC000588997654 1071284561 /nfs/dbraw/zinc/28/45/61/1071284561.db2.gz MWFJUTLCDDMTLQ-KBPBESRZSA-N 1 2 442.538 -0.043 20 0 IBADLO CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc1C ZINC000588997655 1071284355 /nfs/dbraw/zinc/28/43/55/1071284355.db2.gz MWFJUTLCDDMTLQ-KGLIPLIRSA-N 1 2 442.538 -0.043 20 0 IBADLO CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1C ZINC000588997656 1071284429 /nfs/dbraw/zinc/28/44/29/1071284429.db2.gz MWFJUTLCDDMTLQ-UONOGXRCSA-N 1 2 442.538 -0.043 20 0 IBADLO CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1C ZINC000588997657 1071284590 /nfs/dbraw/zinc/28/45/90/1071284590.db2.gz MWFJUTLCDDMTLQ-ZIAGYGMSSA-N 1 2 442.538 -0.043 20 0 IBADLO CCOC(=O)c1sc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1C ZINC000588998076 1071284529 /nfs/dbraw/zinc/28/45/29/1071284529.db2.gz ZGSUBXKUUFEXED-CYBMUJFWSA-N 1 2 428.511 -0.604 20 0 IBADLO CCOC(=O)c1sc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc1C ZINC000588998077 1071285421 /nfs/dbraw/zinc/28/54/21/1071285421.db2.gz ZGSUBXKUUFEXED-ZDUSSCGKSA-N 1 2 428.511 -0.604 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000589034829 1071305269 /nfs/dbraw/zinc/30/52/69/1071305269.db2.gz KZNFPIKFPKWQNR-IIAWOOMASA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000589034829 1071305252 /nfs/dbraw/zinc/30/52/52/1071305252.db2.gz KZNFPIKFPKWQNR-IIAWOOMASA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000589034830 1071305567 /nfs/dbraw/zinc/30/55/67/1071305567.db2.gz KZNFPIKFPKWQNR-IJEWVQPXSA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000589034830 1071305558 /nfs/dbraw/zinc/30/55/58/1071305558.db2.gz KZNFPIKFPKWQNR-IJEWVQPXSA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000589034831 1071305502 /nfs/dbraw/zinc/30/55/02/1071305502.db2.gz KZNFPIKFPKWQNR-OFQRWUPVSA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000589034831 1071305496 /nfs/dbraw/zinc/30/54/96/1071305496.db2.gz KZNFPIKFPKWQNR-OFQRWUPVSA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000589034832 1071305458 /nfs/dbraw/zinc/30/54/58/1071305458.db2.gz KZNFPIKFPKWQNR-SQWLQELKSA-N 1 2 434.497 -0.874 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000589034832 1071305451 /nfs/dbraw/zinc/30/54/51/1071305451.db2.gz KZNFPIKFPKWQNR-SQWLQELKSA-N 1 2 434.497 -0.874 20 0 IBADLO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)nc1 ZINC000589090016 1072191763 /nfs/dbraw/zinc/19/17/63/1072191763.db2.gz WWOBGAXSBGGZHT-GOSISDBHSA-N 1 2 445.520 -0.114 20 0 IBADLO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)nc1 ZINC000589090017 1072191784 /nfs/dbraw/zinc/19/17/84/1072191784.db2.gz WWOBGAXSBGGZHT-SFHVURJKSA-N 1 2 445.520 -0.114 20 0 IBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)C1CCCC1 ZINC000589161418 1072194313 /nfs/dbraw/zinc/19/43/13/1072194313.db2.gz SSITXXAVKWDLLG-INIZCTEOSA-N 1 2 429.587 -0.292 20 0 IBADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)C1CCCC1 ZINC000589161419 1072194248 /nfs/dbraw/zinc/19/42/48/1072194248.db2.gz SSITXXAVKWDLLG-MRXNPFEDSA-N 1 2 429.587 -0.292 20 0 IBADLO Cc1nc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1C ZINC000589167731 1072192971 /nfs/dbraw/zinc/19/29/71/1072192971.db2.gz DXSCVTBQRNCSQS-UHFFFAOYSA-N 1 2 428.540 -0.446 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000589186736 1072194128 /nfs/dbraw/zinc/19/41/28/1072194128.db2.gz QOMYAZKQQBQFOX-GOSISDBHSA-N 1 2 431.541 -0.121 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000589186737 1072194227 /nfs/dbraw/zinc/19/42/27/1072194227.db2.gz QOMYAZKQQBQFOX-SFHVURJKSA-N 1 2 431.541 -0.121 20 0 IBADLO COc1cccc(N2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 ZINC000589189479 1072194157 /nfs/dbraw/zinc/19/41/57/1072194157.db2.gz SGBZXTHWPPRTKN-UHFFFAOYSA-N 1 2 445.564 -0.180 20 0 IBADLO Cc1nc2n(n1)C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000589210719 1072194699 /nfs/dbraw/zinc/19/46/99/1072194699.db2.gz NFQSLGGAXLGDQR-INIZCTEOSA-N 1 2 448.553 -0.252 20 0 IBADLO Cc1nc2n(n1)C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000589210720 1072194874 /nfs/dbraw/zinc/19/48/74/1072194874.db2.gz NFQSLGGAXLGDQR-MRXNPFEDSA-N 1 2 448.553 -0.252 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000589233140 1072196580 /nfs/dbraw/zinc/19/65/80/1072196580.db2.gz BYDXIIGPWOEUDY-UHFFFAOYSA-N 1 2 439.538 -0.421 20 0 IBADLO CSc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000589234088 1072194756 /nfs/dbraw/zinc/19/47/56/1072194756.db2.gz PJLNDWSWSBUWAR-UHFFFAOYSA-N 1 2 442.567 -0.622 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000589249466 1072196099 /nfs/dbraw/zinc/19/60/99/1072196099.db2.gz AYRJMBFEWFQSTP-UHFFFAOYSA-N 1 2 439.582 -0.030 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000589249830 1072195477 /nfs/dbraw/zinc/19/54/77/1072195477.db2.gz QPLBGSSQMSAAGN-IBGZPJMESA-N 1 2 439.582 -0.236 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000589249830 1072195466 /nfs/dbraw/zinc/19/54/66/1072195466.db2.gz QPLBGSSQMSAAGN-IBGZPJMESA-N 1 2 439.582 -0.236 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000589249835 1072195570 /nfs/dbraw/zinc/19/55/70/1072195570.db2.gz QPLBGSSQMSAAGN-LJQANCHMSA-N 1 2 439.582 -0.236 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000589249835 1072195565 /nfs/dbraw/zinc/19/55/65/1072195565.db2.gz QPLBGSSQMSAAGN-LJQANCHMSA-N 1 2 439.582 -0.236 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000589607826 1072203620 /nfs/dbraw/zinc/20/36/20/1072203620.db2.gz WATLMVAPMHXWDK-GOSISDBHSA-N 1 2 437.585 -0.241 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000589607826 1072203615 /nfs/dbraw/zinc/20/36/15/1072203615.db2.gz WATLMVAPMHXWDK-GOSISDBHSA-N 1 2 437.585 -0.241 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000589607827 1072203601 /nfs/dbraw/zinc/20/36/01/1072203601.db2.gz WATLMVAPMHXWDK-SFHVURJKSA-N 1 2 437.585 -0.241 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000589607827 1072203593 /nfs/dbraw/zinc/20/35/93/1072203593.db2.gz WATLMVAPMHXWDK-SFHVURJKSA-N 1 2 437.585 -0.241 20 0 IBADLO CCn1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000589613667 1072203800 /nfs/dbraw/zinc/20/38/00/1072203800.db2.gz IXFRXRQSWQNULY-UHFFFAOYSA-N 1 2 428.540 -0.272 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000589667530 1072204880 /nfs/dbraw/zinc/20/48/80/1072204880.db2.gz JXDRYRDXVYWMQU-UHFFFAOYSA-N 1 2 426.525 -0.006 20 0 IBADLO CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589687119 1072204345 /nfs/dbraw/zinc/20/43/45/1072204345.db2.gz IBHZQDMFGWGKBY-HNNXBMFYSA-N 1 2 433.600 -0.676 20 0 IBADLO CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589687120 1072204296 /nfs/dbraw/zinc/20/42/96/1072204296.db2.gz IBHZQDMFGWGKBY-OAHLLOKOSA-N 1 2 433.600 -0.676 20 0 IBADLO O=C(CNC(=O)c1ccc(O)cc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000589687830 1072204319 /nfs/dbraw/zinc/20/43/19/1072204319.db2.gz SFWNMNZZOXLAEJ-UHFFFAOYSA-N 1 2 447.517 -0.215 20 0 IBADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589700551 1072204938 /nfs/dbraw/zinc/20/49/38/1072204938.db2.gz DYAHMIGMFUHYMZ-DOTOQJQBSA-N 1 2 438.550 -0.047 20 0 IBADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589700552 1072204779 /nfs/dbraw/zinc/20/47/79/1072204779.db2.gz DYAHMIGMFUHYMZ-NVXWUHKLSA-N 1 2 438.550 -0.047 20 0 IBADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589700553 1072204860 /nfs/dbraw/zinc/20/48/60/1072204860.db2.gz DYAHMIGMFUHYMZ-RDJZCZTQSA-N 1 2 438.550 -0.047 20 0 IBADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589700554 1072204761 /nfs/dbraw/zinc/20/47/61/1072204761.db2.gz DYAHMIGMFUHYMZ-WBVHZDCISA-N 1 2 438.550 -0.047 20 0 IBADLO CCn1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000589782397 1072205422 /nfs/dbraw/zinc/20/54/22/1072205422.db2.gz CWYHKONVVZTDBZ-UHFFFAOYSA-N 1 2 427.575 -0.161 20 0 IBADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590007941 1072207461 /nfs/dbraw/zinc/20/74/61/1072207461.db2.gz NCJRCLMAXGLIIG-CVEARBPZSA-N 1 2 447.627 -0.430 20 0 IBADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590007942 1072207726 /nfs/dbraw/zinc/20/77/26/1072207726.db2.gz NCJRCLMAXGLIIG-HOTGVXAUSA-N 1 2 447.627 -0.430 20 0 IBADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590007943 1072207570 /nfs/dbraw/zinc/20/75/70/1072207570.db2.gz NCJRCLMAXGLIIG-HZPDHXFCSA-N 1 2 447.627 -0.430 20 0 IBADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590007944 1072207769 /nfs/dbraw/zinc/20/77/69/1072207769.db2.gz NCJRCLMAXGLIIG-JKSUJKDBSA-N 1 2 447.627 -0.430 20 0 IBADLO CCC(=O)N1CSC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590220874 1072209892 /nfs/dbraw/zinc/20/98/92/1072209892.db2.gz FZXCHARJLGBXCI-HNNXBMFYSA-N 1 2 441.579 -0.039 20 0 IBADLO CCC(=O)N1CSC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590220891 1072209765 /nfs/dbraw/zinc/20/97/65/1072209765.db2.gz FZXCHARJLGBXCI-OAHLLOKOSA-N 1 2 441.579 -0.039 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN(C)S(C)(=O)=O)cc2)CC1 ZINC000590284097 1072209857 /nfs/dbraw/zinc/20/98/57/1072209857.db2.gz RHIBSFHMZYEHHS-UHFFFAOYSA-N 1 2 440.566 -0.220 20 0 IBADLO COc1ccccc1C[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000590287964 1072209791 /nfs/dbraw/zinc/20/97/91/1072209791.db2.gz VKJPROKSDOLIDH-UHFFFAOYSA-N 1 2 426.477 -0.213 20 0 IBADLO CCCCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590310468 1072210343 /nfs/dbraw/zinc/21/03/43/1072210343.db2.gz OWDUUILVMKRLEF-INIZCTEOSA-N 1 2 447.627 -0.286 20 0 IBADLO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590310471 1072210388 /nfs/dbraw/zinc/21/03/88/1072210388.db2.gz OWDUUILVMKRLEF-MRXNPFEDSA-N 1 2 447.627 -0.286 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCCS(N)(=O)=O)cc2)CC1 ZINC000590348106 1072210905 /nfs/dbraw/zinc/21/09/05/1072210905.db2.gz CWQVNMUCFIANQR-UHFFFAOYSA-N 1 2 441.554 -0.640 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000590387669 1073325054 /nfs/dbraw/zinc/32/50/54/1073325054.db2.gz XQOOEIYZHGDAEJ-AWEZNQCLSA-N 1 2 446.508 -0.008 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000590387669 1073325049 /nfs/dbraw/zinc/32/50/49/1073325049.db2.gz XQOOEIYZHGDAEJ-AWEZNQCLSA-N 1 2 446.508 -0.008 20 0 IBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000590387675 1072212005 /nfs/dbraw/zinc/21/20/05/1072212005.db2.gz XQOOEIYZHGDAEJ-CQSZACIVSA-N 1 2 446.508 -0.008 20 0 IBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000590387675 1072212000 /nfs/dbraw/zinc/21/20/00/1072212000.db2.gz XQOOEIYZHGDAEJ-CQSZACIVSA-N 1 2 446.508 -0.008 20 0 IBADLO COc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000590400767 1072211565 /nfs/dbraw/zinc/21/15/65/1072211565.db2.gz VYMIRISJGAYKAT-UHFFFAOYSA-N 1 2 432.568 -0.365 20 0 IBADLO Cc1nn(C)c(=O)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000590418814 1072211515 /nfs/dbraw/zinc/21/15/15/1072211515.db2.gz CHVDPBFAGGZPHA-UHFFFAOYSA-N 1 2 434.522 -0.326 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)CC1 ZINC000590450674 1072212550 /nfs/dbraw/zinc/21/25/50/1072212550.db2.gz FYVTUTGEDXIAIX-UHFFFAOYSA-N 1 2 444.521 -0.171 20 0 IBADLO O=C(CCNc1nc(NCCC(=O)N2CCOCC2)c2ccccc2[nH+]1)N1CCOCC1 ZINC000590491931 1072212575 /nfs/dbraw/zinc/21/25/75/1072212575.db2.gz SVKMRWVQZSKZEA-UHFFFAOYSA-N 1 2 442.520 -0.205 20 0 IBADLO CCS(=O)(=O)NCCNc1nc(NCCNS(=O)(=O)CC)c2ccccc2[nH+]1 ZINC000590493150 1072213066 /nfs/dbraw/zinc/21/30/66/1072213066.db2.gz NPMJUOQNXSPHEU-UHFFFAOYSA-N 1 2 430.556 -0.824 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590707520 1072219039 /nfs/dbraw/zinc/21/90/39/1072219039.db2.gz UKARWSBVDJEICF-KRWDZBQOSA-N 1 2 430.509 -0.636 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590707523 1072218815 /nfs/dbraw/zinc/21/88/15/1072218815.db2.gz UKARWSBVDJEICF-QGZVFWFLSA-N 1 2 430.509 -0.636 20 0 IBADLO CN(CC(=O)N1CCCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591027374 1072222971 /nfs/dbraw/zinc/22/29/71/1072222971.db2.gz SCRWVUBILJINAW-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591146225 1072224604 /nfs/dbraw/zinc/22/46/04/1072224604.db2.gz TUTSNRDCJQEBAH-DLBZAZTESA-N 1 2 430.571 -0.513 20 0 IBADLO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591146242 1072224516 /nfs/dbraw/zinc/22/45/16/1072224516.db2.gz TUTSNRDCJQEBAH-IAGOWNOFSA-N 1 2 430.571 -0.513 20 0 IBADLO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591146243 1072224580 /nfs/dbraw/zinc/22/45/80/1072224580.db2.gz TUTSNRDCJQEBAH-IRXDYDNUSA-N 1 2 430.571 -0.513 20 0 IBADLO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591146244 1072224530 /nfs/dbraw/zinc/22/45/30/1072224530.db2.gz TUTSNRDCJQEBAH-SJORKVTESA-N 1 2 430.571 -0.513 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000591157482 1072224563 /nfs/dbraw/zinc/22/45/63/1072224563.db2.gz LJXUSFIUMQUQBA-BZSNNMDCSA-N 1 2 443.566 -0.638 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000591157483 1072224465 /nfs/dbraw/zinc/22/44/65/1072224465.db2.gz LJXUSFIUMQUQBA-KSZLIROESA-N 1 2 443.566 -0.638 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000591157484 1072224479 /nfs/dbraw/zinc/22/44/79/1072224479.db2.gz LJXUSFIUMQUQBA-OKZBNKHCSA-N 1 2 443.566 -0.638 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000591157485 1072224447 /nfs/dbraw/zinc/22/44/47/1072224447.db2.gz LJXUSFIUMQUQBA-RCCFBDPRSA-N 1 2 443.566 -0.638 20 0 IBADLO C[C@@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)NC1=O ZINC000591430691 1072228564 /nfs/dbraw/zinc/22/85/64/1072228564.db2.gz PRYAAPZBYQYEBR-AWEZNQCLSA-N 1 2 437.522 -0.344 20 0 IBADLO C[C@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)NC1=O ZINC000591430692 1072228485 /nfs/dbraw/zinc/22/84/85/1072228485.db2.gz PRYAAPZBYQYEBR-CQSZACIVSA-N 1 2 437.522 -0.344 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000591468637 1072229587 /nfs/dbraw/zinc/22/95/87/1072229587.db2.gz DXRZEGKEONOKIY-CABCVRRESA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000591468644 1072229690 /nfs/dbraw/zinc/22/96/90/1072229690.db2.gz DXRZEGKEONOKIY-GJZGRUSLSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000591468649 1072229644 /nfs/dbraw/zinc/22/96/44/1072229644.db2.gz DXRZEGKEONOKIY-HUUCEWRRSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@H]([C@H](C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000591468650 1072229628 /nfs/dbraw/zinc/22/96/28/1072229628.db2.gz DXRZEGKEONOKIY-LSDHHAIUSA-N 1 2 426.539 -0.108 20 0 IBADLO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000591472419 1072231188 /nfs/dbraw/zinc/23/11/88/1072231188.db2.gz XPERXFDALVMSTP-KRWDZBQOSA-N 1 2 432.477 -0.322 20 0 IBADLO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000591472420 1072231413 /nfs/dbraw/zinc/23/14/13/1072231413.db2.gz XPERXFDALVMSTP-QGZVFWFLSA-N 1 2 432.477 -0.322 20 0 IBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000591561362 1072233077 /nfs/dbraw/zinc/23/30/77/1072233077.db2.gz IAZYLYOXUJMZBZ-KRWDZBQOSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000591561362 1072233068 /nfs/dbraw/zinc/23/30/68/1072233068.db2.gz IAZYLYOXUJMZBZ-KRWDZBQOSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000591561371 1072233296 /nfs/dbraw/zinc/23/32/96/1072233296.db2.gz IAZYLYOXUJMZBZ-QGZVFWFLSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000591561371 1072233288 /nfs/dbraw/zinc/23/32/88/1072233288.db2.gz IAZYLYOXUJMZBZ-QGZVFWFLSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000591565398 1072233177 /nfs/dbraw/zinc/23/31/77/1072233177.db2.gz RZIOVGSXAOVJGK-CYBMUJFWSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000591565398 1072233170 /nfs/dbraw/zinc/23/31/70/1072233170.db2.gz RZIOVGSXAOVJGK-CYBMUJFWSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000591565399 1072233251 /nfs/dbraw/zinc/23/32/51/1072233251.db2.gz RZIOVGSXAOVJGK-ZDUSSCGKSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000591565399 1072233248 /nfs/dbraw/zinc/23/32/48/1072233248.db2.gz RZIOVGSXAOVJGK-ZDUSSCGKSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000591601584 1072233729 /nfs/dbraw/zinc/23/37/29/1072233729.db2.gz USXJALSDVJCTDQ-BRWVUGGUSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000591601584 1072233722 /nfs/dbraw/zinc/23/37/22/1072233722.db2.gz USXJALSDVJCTDQ-BRWVUGGUSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000591601585 1072233688 /nfs/dbraw/zinc/23/36/88/1072233688.db2.gz USXJALSDVJCTDQ-GVDBMIGSSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000591601585 1072233682 /nfs/dbraw/zinc/23/36/82/1072233682.db2.gz USXJALSDVJCTDQ-GVDBMIGSSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000591601586 1072233760 /nfs/dbraw/zinc/23/37/60/1072233760.db2.gz USXJALSDVJCTDQ-YESZJQIVSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000591601586 1072233752 /nfs/dbraw/zinc/23/37/52/1072233752.db2.gz USXJALSDVJCTDQ-YESZJQIVSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000591601587 1072234311 /nfs/dbraw/zinc/23/43/11/1072234311.db2.gz USXJALSDVJCTDQ-ZACQAIPSSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000591601587 1072234306 /nfs/dbraw/zinc/23/43/06/1072234306.db2.gz USXJALSDVJCTDQ-ZACQAIPSSA-N 1 2 433.575 -0.612 20 0 IBADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000591653499 1072236011 /nfs/dbraw/zinc/23/60/11/1072236011.db2.gz WNAOEKXPWWFVDM-GOSISDBHSA-N 1 2 431.493 -0.659 20 0 IBADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000591653500 1072235818 /nfs/dbraw/zinc/23/58/18/1072235818.db2.gz WNAOEKXPWWFVDM-SFHVURJKSA-N 1 2 431.493 -0.659 20 0 IBADLO O=C(COCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000591797191 1072238908 /nfs/dbraw/zinc/23/89/08/1072238908.db2.gz GCFBVOGWLRGLGC-PMACEKPBSA-N 1 2 438.569 -0.351 20 0 IBADLO O=C(COCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000591797193 1072238934 /nfs/dbraw/zinc/23/89/34/1072238934.db2.gz GCFBVOGWLRGLGC-WOJBJXKFSA-N 1 2 438.569 -0.351 20 0 IBADLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000592391005 1072246661 /nfs/dbraw/zinc/24/66/61/1072246661.db2.gz IULZKVFLQDVNMH-UHFFFAOYSA-N 1 2 432.569 -0.095 20 0 IBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000592496013 1072248367 /nfs/dbraw/zinc/24/83/67/1072248367.db2.gz PDYKJIRXKFAGOT-AWEZNQCLSA-N 1 2 442.542 -0.970 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000592496014 1072248272 /nfs/dbraw/zinc/24/82/72/1072248272.db2.gz PDYKJIRXKFAGOT-CQSZACIVSA-N 1 2 442.542 -0.970 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592559140 1072248834 /nfs/dbraw/zinc/24/88/34/1072248834.db2.gz QZTWKWJWIHHYHE-KURKYZTESA-N 1 2 446.618 -0.697 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592559143 1072248906 /nfs/dbraw/zinc/24/89/06/1072248906.db2.gz QZTWKWJWIHHYHE-KZNAEPCWSA-N 1 2 446.618 -0.697 20 0 IBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592559144 1072248796 /nfs/dbraw/zinc/24/87/96/1072248796.db2.gz QZTWKWJWIHHYHE-OKZBNKHCSA-N 1 2 446.618 -0.697 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000592559145 1072248878 /nfs/dbraw/zinc/24/88/78/1072248878.db2.gz QZTWKWJWIHHYHE-SQNIBIBYSA-N 1 2 446.618 -0.697 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nnc2n1CCC2 ZINC000594395850 1072263054 /nfs/dbraw/zinc/26/30/54/1072263054.db2.gz CXFBALJNWQIZOG-AWEZNQCLSA-N 1 2 426.547 -0.895 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nnc2n1CCC2 ZINC000594395851 1072262870 /nfs/dbraw/zinc/26/28/70/1072262870.db2.gz CXFBALJNWQIZOG-CQSZACIVSA-N 1 2 426.547 -0.895 20 0 IBADLO O=C(COCC(=O)NCc1cccnc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595426257 1072269137 /nfs/dbraw/zinc/26/91/37/1072269137.db2.gz GDHZOJBOHOABFH-UHFFFAOYSA-N 1 2 440.504 -0.036 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000596029622 1073334980 /nfs/dbraw/zinc/33/49/80/1073334980.db2.gz DVMKUFIPHZBWPU-UHFFFAOYSA-N 1 2 449.533 0.489 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000596033671 1072271942 /nfs/dbraw/zinc/27/19/42/1072271942.db2.gz UYFXKQJLEJAAND-UHFFFAOYSA-N 1 2 449.533 0.489 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000596042120 1072272013 /nfs/dbraw/zinc/27/20/13/1072272013.db2.gz WOIZPSPSOJCEPQ-UHFFFAOYSA-N 1 2 439.494 0.082 20 0 IBADLO CCN(C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)S(C)(=O)=O ZINC000596120085 1072272054 /nfs/dbraw/zinc/27/20/54/1072272054.db2.gz PPHKCNOEEZPZSX-INIZCTEOSA-N 1 2 430.571 -0.560 20 0 IBADLO CCN(C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)S(C)(=O)=O ZINC000596120110 1072272086 /nfs/dbraw/zinc/27/20/86/1072272086.db2.gz PPHKCNOEEZPZSX-MRXNPFEDSA-N 1 2 430.571 -0.560 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000596171795 1073333641 /nfs/dbraw/zinc/33/36/41/1073333641.db2.gz IGGKLFNGKRWLMQ-UHFFFAOYSA-N 1 2 437.522 0.392 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596172177 1072272538 /nfs/dbraw/zinc/27/25/38/1072272538.db2.gz QHJYLYNQIKWFND-ZDUSSCGKSA-N 1 2 426.499 0.126 20 0 IBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000596214123 1072272406 /nfs/dbraw/zinc/27/24/06/1072272406.db2.gz QQWRTOUMUMAXTE-UHFFFAOYSA-N 1 2 446.595 -0.261 20 0 IBADLO O=C(NCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000596417505 1072273115 /nfs/dbraw/zinc/27/31/15/1072273115.db2.gz GKOKQZNJZZUNRA-UHFFFAOYSA-N 1 2 434.478 -0.070 20 0 IBADLO CC[NH+](CC)CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000596584932 1072273566 /nfs/dbraw/zinc/27/35/66/1072273566.db2.gz ZTKDODRSDUJGRM-UHFFFAOYSA-N 1 2 432.568 -0.272 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000597983770 1072286086 /nfs/dbraw/zinc/28/60/86/1072286086.db2.gz ILKHJUFYNKJXEP-GOSISDBHSA-N 1 2 425.574 -0.922 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000597983776 1072285909 /nfs/dbraw/zinc/28/59/09/1072285909.db2.gz ILKHJUFYNKJXEP-SFHVURJKSA-N 1 2 425.574 -0.922 20 0 IBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000597984112 1072286170 /nfs/dbraw/zinc/28/61/70/1072286170.db2.gz UTIDTNPTDOVGQH-INIZCTEOSA-N 1 2 426.539 -0.422 20 0 IBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000597984113 1072286035 /nfs/dbraw/zinc/28/60/35/1072286035.db2.gz UTIDTNPTDOVGQH-MRXNPFEDSA-N 1 2 426.539 -0.422 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000598031685 1072286532 /nfs/dbraw/zinc/28/65/32/1072286532.db2.gz BVJBXWVRVWFZGF-UHFFFAOYSA-N 1 2 432.568 -0.232 20 0 IBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000598031706 1072286725 /nfs/dbraw/zinc/28/67/25/1072286725.db2.gz GEORGEOCJPEMOA-UHFFFAOYSA-N 1 2 432.568 -0.232 20 0 IBADLO O=C(NCCOC[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598064300 1072286779 /nfs/dbraw/zinc/28/67/79/1072286779.db2.gz IBMYCKFHLHXRLY-KRWDZBQOSA-N 1 2 441.554 -0.114 20 0 IBADLO O=C(NCCOC[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598064301 1072286666 /nfs/dbraw/zinc/28/66/66/1072286666.db2.gz IBMYCKFHLHXRLY-QGZVFWFLSA-N 1 2 441.554 -0.114 20 0 IBADLO CC(C)(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NS(C)(=O)=O ZINC000598269592 1072288221 /nfs/dbraw/zinc/28/82/21/1072288221.db2.gz OJFNTLSTMGVDGK-UHFFFAOYSA-N 1 2 426.543 -0.253 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598357836 1072289137 /nfs/dbraw/zinc/28/91/37/1072289137.db2.gz BQDWVCFHAGHRIF-UHFFFAOYSA-N 1 2 439.538 -0.543 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c2)CC1 ZINC000598364938 1072289739 /nfs/dbraw/zinc/28/97/39/1072289739.db2.gz PXBRNAJBILMXGI-UHFFFAOYSA-N 1 2 425.555 -0.184 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000598918783 1072291801 /nfs/dbraw/zinc/29/18/01/1072291801.db2.gz CWRCFMIXPJCCJM-UHFFFAOYSA-N 1 2 444.477 -0.121 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000599024937 1072293015 /nfs/dbraw/zinc/29/30/15/1072293015.db2.gz DLOPTEHTBMPQLU-JLJPHGGASA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000599024937 1072293008 /nfs/dbraw/zinc/29/30/08/1072293008.db2.gz DLOPTEHTBMPQLU-JLJPHGGASA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000599024937 1072292999 /nfs/dbraw/zinc/29/29/99/1072292999.db2.gz DLOPTEHTBMPQLU-JLJPHGGASA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000599024937 1072292993 /nfs/dbraw/zinc/29/29/93/1072292993.db2.gz DLOPTEHTBMPQLU-JLJPHGGASA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000599024954 1072292430 /nfs/dbraw/zinc/29/24/30/1072292430.db2.gz DLOPTEHTBMPQLU-KMFMINBZSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000599024954 1072292425 /nfs/dbraw/zinc/29/24/25/1072292425.db2.gz DLOPTEHTBMPQLU-KMFMINBZSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000599024954 1072292415 /nfs/dbraw/zinc/29/24/15/1072292415.db2.gz DLOPTEHTBMPQLU-KMFMINBZSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000599024954 1072292408 /nfs/dbraw/zinc/29/24/08/1072292408.db2.gz DLOPTEHTBMPQLU-KMFMINBZSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000599024955 1072292355 /nfs/dbraw/zinc/29/23/55/1072292355.db2.gz DLOPTEHTBMPQLU-QRTARXTBSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000599024955 1072292348 /nfs/dbraw/zinc/29/23/48/1072292348.db2.gz DLOPTEHTBMPQLU-QRTARXTBSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000599024955 1072292339 /nfs/dbraw/zinc/29/23/39/1072292339.db2.gz DLOPTEHTBMPQLU-QRTARXTBSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000599024955 1072292332 /nfs/dbraw/zinc/29/23/32/1072292332.db2.gz DLOPTEHTBMPQLU-QRTARXTBSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000599024956 1072293115 /nfs/dbraw/zinc/29/31/15/1072293115.db2.gz DLOPTEHTBMPQLU-UKPHBRMFSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000599024956 1072293104 /nfs/dbraw/zinc/29/31/04/1072293104.db2.gz DLOPTEHTBMPQLU-UKPHBRMFSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000599024956 1072293096 /nfs/dbraw/zinc/29/30/96/1072293096.db2.gz DLOPTEHTBMPQLU-UKPHBRMFSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000599024956 1072293087 /nfs/dbraw/zinc/29/30/87/1072293087.db2.gz DLOPTEHTBMPQLU-UKPHBRMFSA-N 1 2 443.570 -0.178 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036848 1072293933 /nfs/dbraw/zinc/29/39/33/1072293933.db2.gz HCQCOYLKNQAKDR-GOEBONIOSA-N 1 2 429.543 -0.567 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036865 1072294015 /nfs/dbraw/zinc/29/40/15/1072294015.db2.gz HCQCOYLKNQAKDR-HOCLYGCPSA-N 1 2 429.543 -0.567 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000599572157 1072305587 /nfs/dbraw/zinc/30/55/87/1072305587.db2.gz GWOXBKPXRSKNCI-GOSISDBHSA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000599572158 1072305597 /nfs/dbraw/zinc/30/55/97/1072305597.db2.gz GWOXBKPXRSKNCI-SFHVURJKSA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cnn(CCN2CCOCC2)c1 ZINC000600129759 1073367242 /nfs/dbraw/zinc/36/72/42/1073367242.db2.gz MSLXKHLHLGTZOH-IBGZPJMESA-N 1 2 434.541 -0.133 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cnn(CCN2CCOCC2)c1 ZINC000600129779 1073367098 /nfs/dbraw/zinc/36/70/98/1073367098.db2.gz MSLXKHLHLGTZOH-LJQANCHMSA-N 1 2 434.541 -0.133 20 0 IBADLO COc1ccc(CC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000600477669 1073386648 /nfs/dbraw/zinc/38/66/48/1073386648.db2.gz ZGRLNUHYSZBSFS-KRWDZBQOSA-N 1 2 440.566 -0.379 20 0 IBADLO COc1ccc(CC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000600477669 1073386636 /nfs/dbraw/zinc/38/66/36/1073386636.db2.gz ZGRLNUHYSZBSFS-KRWDZBQOSA-N 1 2 440.566 -0.379 20 0 IBADLO COc1ccc(CC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000600477671 1073386537 /nfs/dbraw/zinc/38/65/37/1073386537.db2.gz ZGRLNUHYSZBSFS-QGZVFWFLSA-N 1 2 440.566 -0.379 20 0 IBADLO COc1ccc(CC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000600477671 1073386529 /nfs/dbraw/zinc/38/65/29/1073386529.db2.gz ZGRLNUHYSZBSFS-QGZVFWFLSA-N 1 2 440.566 -0.379 20 0 IBADLO Cn1c2ncn(CC(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000600567277 1073397976 /nfs/dbraw/zinc/39/79/76/1073397976.db2.gz BWBUNSADFKINFC-KRWDZBQOSA-N 1 2 440.504 -0.507 20 0 IBADLO Cn1c2ncn(CC(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000600567278 1073397928 /nfs/dbraw/zinc/39/79/28/1073397928.db2.gz BWBUNSADFKINFC-QGZVFWFLSA-N 1 2 440.504 -0.507 20 0 IBADLO CN(c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1)S(C)(=O)=O ZINC000600596121 1073403660 /nfs/dbraw/zinc/40/36/60/1073403660.db2.gz CEMVJGGARJRQKL-KRWDZBQOSA-N 1 2 438.550 -0.121 20 0 IBADLO CN(c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1)S(C)(=O)=O ZINC000600596122 1073403728 /nfs/dbraw/zinc/40/37/28/1073403728.db2.gz CEMVJGGARJRQKL-QGZVFWFLSA-N 1 2 438.550 -0.121 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000600780488 1072544262 /nfs/dbraw/zinc/54/42/62/1072544262.db2.gz UMXLWNNMOXBGQG-KPZWWZAWSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000600780488 1072544251 /nfs/dbraw/zinc/54/42/51/1072544251.db2.gz UMXLWNNMOXBGQG-KPZWWZAWSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000600780496 1072544139 /nfs/dbraw/zinc/54/41/39/1072544139.db2.gz UMXLWNNMOXBGQG-KZULUSFZSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000600780496 1072544131 /nfs/dbraw/zinc/54/41/31/1072544131.db2.gz UMXLWNNMOXBGQG-KZULUSFZSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000600780499 1072544025 /nfs/dbraw/zinc/54/40/25/1072544025.db2.gz UMXLWNNMOXBGQG-SGTLLEGYSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000600780499 1072544007 /nfs/dbraw/zinc/54/40/07/1072544007.db2.gz UMXLWNNMOXBGQG-SGTLLEGYSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000600780501 1072544071 /nfs/dbraw/zinc/54/40/71/1072544071.db2.gz UMXLWNNMOXBGQG-XIKOKIGWSA-N 1 2 425.511 -0.726 20 0 IBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[C@]1(C)NC(=O)NC1=O ZINC000600780501 1072544056 /nfs/dbraw/zinc/54/40/56/1072544056.db2.gz UMXLWNNMOXBGQG-XIKOKIGWSA-N 1 2 425.511 -0.726 20 0 IBADLO C[C@@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600946544 1072548679 /nfs/dbraw/zinc/54/86/79/1072548679.db2.gz YMGPXCIACVEWQG-INIZCTEOSA-N 1 2 430.488 -0.306 20 0 IBADLO C[C@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600946545 1072549216 /nfs/dbraw/zinc/54/92/16/1072549216.db2.gz YMGPXCIACVEWQG-MRXNPFEDSA-N 1 2 430.488 -0.306 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CC(=O)NC3=O)cc2)CC1 ZINC000600992595 1072550308 /nfs/dbraw/zinc/55/03/08/1072550308.db2.gz PPYPDNHPTIAINP-UHFFFAOYSA-N 1 2 431.493 -0.560 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601495003 1071439192 /nfs/dbraw/zinc/43/91/92/1071439192.db2.gz ADOZSZIYXZUMBH-DLBZAZTESA-N 1 2 429.521 -0.339 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601495006 1072276648 /nfs/dbraw/zinc/27/66/48/1072276648.db2.gz ADOZSZIYXZUMBH-IAGOWNOFSA-N 1 2 429.521 -0.339 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601495007 1072276471 /nfs/dbraw/zinc/27/64/71/1072276471.db2.gz ADOZSZIYXZUMBH-IRXDYDNUSA-N 1 2 429.521 -0.339 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601495009 1072276733 /nfs/dbraw/zinc/27/67/33/1072276733.db2.gz ADOZSZIYXZUMBH-SJORKVTESA-N 1 2 429.521 -0.339 20 0 IBADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000601868935 1072279849 /nfs/dbraw/zinc/27/98/49/1072279849.db2.gz GQZZAWRNKLXXQW-UHFFFAOYSA-N 1 2 426.543 -0.041 20 0 IBADLO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)cn2)CC1 ZINC000601908961 1072280476 /nfs/dbraw/zinc/28/04/76/1072280476.db2.gz OSGILUMQLFRMMX-UHFFFAOYSA-N 1 2 447.521 -0.275 20 0 IBADLO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000601916895 1072281056 /nfs/dbraw/zinc/28/10/56/1072281056.db2.gz NGYGJMKYYVAFGG-UHFFFAOYSA-N 1 2 436.538 -0.592 20 0 IBADLO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000602345697 1072285336 /nfs/dbraw/zinc/28/53/36/1072285336.db2.gz JIFZODDONDNCDI-HCXYKTFWSA-N 1 2 429.583 -0.288 20 0 IBADLO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000602345713 1072285407 /nfs/dbraw/zinc/28/54/07/1072285407.db2.gz JIFZODDONDNCDI-MANSERQUSA-N 1 2 429.583 -0.288 20 0 IBADLO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000602345717 1072285439 /nfs/dbraw/zinc/28/54/39/1072285439.db2.gz JIFZODDONDNCDI-MKXGPGLRSA-N 1 2 429.583 -0.288 20 0 IBADLO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000602345722 1072285496 /nfs/dbraw/zinc/28/54/96/1072285496.db2.gz JIFZODDONDNCDI-OKYOBFRVSA-N 1 2 429.583 -0.288 20 0 IBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506128 1072287841 /nfs/dbraw/zinc/28/78/41/1072287841.db2.gz CADAGCYBLLUTPS-CVEARBPZSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506128 1072287834 /nfs/dbraw/zinc/28/78/34/1072287834.db2.gz CADAGCYBLLUTPS-CVEARBPZSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506130 1072287817 /nfs/dbraw/zinc/28/78/17/1072287817.db2.gz CADAGCYBLLUTPS-HOTGVXAUSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506130 1072287809 /nfs/dbraw/zinc/28/78/09/1072287809.db2.gz CADAGCYBLLUTPS-HOTGVXAUSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506131 1072287630 /nfs/dbraw/zinc/28/76/30/1072287630.db2.gz CADAGCYBLLUTPS-HZPDHXFCSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506131 1072287618 /nfs/dbraw/zinc/28/76/18/1072287618.db2.gz CADAGCYBLLUTPS-HZPDHXFCSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506134 1072287743 /nfs/dbraw/zinc/28/77/43/1072287743.db2.gz CADAGCYBLLUTPS-JKSUJKDBSA-N 1 2 438.554 -0.178 20 0 IBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506134 1072287735 /nfs/dbraw/zinc/28/77/35/1072287735.db2.gz CADAGCYBLLUTPS-JKSUJKDBSA-N 1 2 438.554 -0.178 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602520291 1072287667 /nfs/dbraw/zinc/28/76/67/1072287667.db2.gz GINSBYWOSLSDTA-AWEZNQCLSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602520291 1072287655 /nfs/dbraw/zinc/28/76/55/1072287655.db2.gz GINSBYWOSLSDTA-AWEZNQCLSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602520292 1072287877 /nfs/dbraw/zinc/28/78/77/1072287877.db2.gz GINSBYWOSLSDTA-CQSZACIVSA-N 1 2 449.537 -0.302 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602520292 1072287869 /nfs/dbraw/zinc/28/78/69/1072287869.db2.gz GINSBYWOSLSDTA-CQSZACIVSA-N 1 2 449.537 -0.302 20 0 IBADLO NS(=O)(=O)c1cccnc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000603024171 1072290364 /nfs/dbraw/zinc/29/03/64/1072290364.db2.gz WBRVJMHULISWQZ-UHFFFAOYSA-N 1 2 426.524 -0.312 20 0 IBADLO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)NC(=O)Nc1ccccc1 ZINC000603494597 1072294389 /nfs/dbraw/zinc/29/43/89/1072294389.db2.gz KJCBTQIXCQXTQM-UHFFFAOYSA-N 1 2 425.511 -0.081 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000603596343 1072296757 /nfs/dbraw/zinc/29/67/57/1072296757.db2.gz PHQPDLZHNZUGSX-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000603596346 1072296807 /nfs/dbraw/zinc/29/68/07/1072296807.db2.gz PHQPDLZHNZUGSX-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO CCOC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1C ZINC000603689027 1072300172 /nfs/dbraw/zinc/30/01/72/1072300172.db2.gz OODQDPIRCZCBCR-UHFFFAOYSA-N 1 2 439.538 -0.183 20 0 IBADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603846742 1072304410 /nfs/dbraw/zinc/30/44/10/1072304410.db2.gz AIRJHOLTPPMRAC-INIZCTEOSA-N 1 2 438.554 -0.167 20 0 IBADLO C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603846747 1072304450 /nfs/dbraw/zinc/30/44/50/1072304450.db2.gz AIRJHOLTPPMRAC-MRXNPFEDSA-N 1 2 438.554 -0.167 20 0 IBADLO COC(=O)c1sccc1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603847323 1072304346 /nfs/dbraw/zinc/30/43/46/1072304346.db2.gz RKUHPPIZMNAWMF-UHFFFAOYSA-N 1 2 445.567 -0.417 20 0 IBADLO CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603941295 1071447918 /nfs/dbraw/zinc/44/79/18/1071447918.db2.gz PKRDMDMQNYXSFH-HNNXBMFYSA-N 1 2 435.616 -0.729 20 0 IBADLO CCC(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603941296 1071447892 /nfs/dbraw/zinc/44/78/92/1071447892.db2.gz PKRDMDMQNYXSFH-OAHLLOKOSA-N 1 2 435.616 -0.729 20 0 IBADLO COC(=O)COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000604078131 1072309141 /nfs/dbraw/zinc/30/91/41/1072309141.db2.gz NDLVCQMSSAEHJD-UHFFFAOYSA-N 1 2 440.522 -0.512 20 0 IBADLO COc1cc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1O ZINC000604114886 1072310129 /nfs/dbraw/zinc/31/01/29/1072310129.db2.gz GCIKJUSVVKQCOH-UHFFFAOYSA-N 1 2 441.554 -0.237 20 0 IBADLO COC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000604172732 1072312407 /nfs/dbraw/zinc/31/24/07/1072312407.db2.gz XURHOJMNLUMRCV-UHFFFAOYSA-N 1 2 440.522 -0.512 20 0 IBADLO CC(C)[C@H]1C(=O)NCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604174024 1072312270 /nfs/dbraw/zinc/31/22/70/1072312270.db2.gz ZRFRIMGEUVKLDI-KRWDZBQOSA-N 1 2 438.554 -0.301 20 0 IBADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604174025 1072312336 /nfs/dbraw/zinc/31/23/36/1072312336.db2.gz ZRFRIMGEUVKLDI-QGZVFWFLSA-N 1 2 438.554 -0.301 20 0 IBADLO Cc1sc(=O)n(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000604312171 1072316343 /nfs/dbraw/zinc/31/63/43/1072316343.db2.gz LKOSDDMYZRLSJI-UHFFFAOYSA-N 1 2 431.584 -0.447 20 0 IBADLO O=C(N[C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000604376170 1072318898 /nfs/dbraw/zinc/31/88/98/1072318898.db2.gz HPPOBHSJHSFZQE-HNNXBMFYSA-N 1 2 447.521 -0.766 20 0 IBADLO O=C(N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000604376171 1072318646 /nfs/dbraw/zinc/31/86/46/1072318646.db2.gz HPPOBHSJHSFZQE-OAHLLOKOSA-N 1 2 447.521 -0.766 20 0 IBADLO NC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000604393396 1072319521 /nfs/dbraw/zinc/31/95/21/1072319521.db2.gz SQHGFXHMCUPAGR-IBGZPJMESA-N 1 2 448.589 -0.163 20 0 IBADLO NC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000604393397 1072319159 /nfs/dbraw/zinc/31/91/59/1072319159.db2.gz SQHGFXHMCUPAGR-LJQANCHMSA-N 1 2 448.589 -0.163 20 0 IBADLO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000604398991 1072318232 /nfs/dbraw/zinc/31/82/32/1072318232.db2.gz WBZKGZYIXUFUOX-UHFFFAOYSA-N 1 2 448.615 -0.121 20 0 IBADLO CCOC(=O)C1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000604462820 1072321512 /nfs/dbraw/zinc/32/15/12/1072321512.db2.gz UEDFXMSZSHMIIU-UHFFFAOYSA-N 1 2 445.586 -0.072 20 0 IBADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000604603641 1072323406 /nfs/dbraw/zinc/32/34/06/1072323406.db2.gz UOYHYXDJNVPTNH-AWEZNQCLSA-N 1 2 428.486 -0.730 20 0 IBADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000604603642 1071453661 /nfs/dbraw/zinc/45/36/61/1071453661.db2.gz UOYHYXDJNVPTNH-CQSZACIVSA-N 1 2 428.486 -0.730 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000604885704 1072329798 /nfs/dbraw/zinc/32/97/98/1072329798.db2.gz ANOLBTGKMZACCH-HNNXBMFYSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000604885704 1072329775 /nfs/dbraw/zinc/32/97/75/1072329775.db2.gz ANOLBTGKMZACCH-HNNXBMFYSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000604885705 1072330009 /nfs/dbraw/zinc/33/00/09/1072330009.db2.gz ANOLBTGKMZACCH-OAHLLOKOSA-N 1 2 448.542 -0.718 20 0 IBADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000604885705 1072330003 /nfs/dbraw/zinc/33/00/03/1072330003.db2.gz ANOLBTGKMZACCH-OAHLLOKOSA-N 1 2 448.542 -0.718 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604927418 1072330894 /nfs/dbraw/zinc/33/08/94/1072330894.db2.gz QGGGRYVOSSWHST-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604927419 1072330925 /nfs/dbraw/zinc/33/09/25/1072330925.db2.gz QGGGRYVOSSWHST-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000604927456 1072330975 /nfs/dbraw/zinc/33/09/75/1072330975.db2.gz SRHOXHZITPVQRD-AWEZNQCLSA-N 1 2 437.522 -0.837 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000604927457 1072331047 /nfs/dbraw/zinc/33/10/47/1072331047.db2.gz SRHOXHZITPVQRD-CQSZACIVSA-N 1 2 437.522 -0.837 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932276 1072331633 /nfs/dbraw/zinc/33/16/33/1072331633.db2.gz CBPXSZDUAUDFAB-GOSISDBHSA-N 1 2 443.508 -0.436 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932276 1072331621 /nfs/dbraw/zinc/33/16/21/1072331621.db2.gz CBPXSZDUAUDFAB-GOSISDBHSA-N 1 2 443.508 -0.436 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932277 1072331477 /nfs/dbraw/zinc/33/14/77/1072331477.db2.gz CBPXSZDUAUDFAB-SFHVURJKSA-N 1 2 443.508 -0.436 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932277 1072331467 /nfs/dbraw/zinc/33/14/67/1072331467.db2.gz CBPXSZDUAUDFAB-SFHVURJKSA-N 1 2 443.508 -0.436 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000604953097 1074354765 /nfs/dbraw/zinc/35/47/65/1074354765.db2.gz ZQINHRWVIFALKP-KRWDZBQOSA-N 1 2 448.524 -0.606 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000604953098 1074354732 /nfs/dbraw/zinc/35/47/32/1074354732.db2.gz ZQINHRWVIFALKP-QGZVFWFLSA-N 1 2 448.524 -0.606 20 0 IBADLO O=C(NCCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)c1cnccn1 ZINC000605054828 1072332048 /nfs/dbraw/zinc/33/20/48/1072332048.db2.gz ZVUOSRQQOZLMBR-KRWDZBQOSA-N 1 2 428.493 -0.027 20 0 IBADLO O=C(NCCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1cnccn1 ZINC000605054829 1072331996 /nfs/dbraw/zinc/33/19/96/1072331996.db2.gz ZVUOSRQQOZLMBR-QGZVFWFLSA-N 1 2 428.493 -0.027 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605064368 1072331945 /nfs/dbraw/zinc/33/19/45/1072331945.db2.gz YTXJYXXCEWUHNJ-UHFFFAOYSA-N 1 2 434.460 -0.064 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000605137840 1072333609 /nfs/dbraw/zinc/33/36/09/1072333609.db2.gz SLPSYPSIZJZRMR-HNNXBMFYSA-N 1 2 437.504 -0.032 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000605137841 1072333660 /nfs/dbraw/zinc/33/36/60/1072333660.db2.gz SLPSYPSIZJZRMR-OAHLLOKOSA-N 1 2 437.504 -0.032 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000605138619 1072333706 /nfs/dbraw/zinc/33/37/06/1072333706.db2.gz AGSNXNGCXSECIB-HNNXBMFYSA-N 1 2 437.504 -0.032 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000605138620 1072333689 /nfs/dbraw/zinc/33/36/89/1072333689.db2.gz AGSNXNGCXSECIB-OAHLLOKOSA-N 1 2 437.504 -0.032 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000605143046 1072333523 /nfs/dbraw/zinc/33/35/23/1072333523.db2.gz WATMUARNFWBLHJ-GOSISDBHSA-N 1 2 429.521 -0.385 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000605143047 1072333547 /nfs/dbraw/zinc/33/35/47/1072333547.db2.gz WATMUARNFWBLHJ-SFHVURJKSA-N 1 2 429.521 -0.385 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000605156858 1072335109 /nfs/dbraw/zinc/33/51/09/1072335109.db2.gz LIXUIWTWVMKLTQ-UHFFFAOYSA-N 1 2 444.580 -0.034 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000605229097 1072340006 /nfs/dbraw/zinc/34/00/06/1072340006.db2.gz MLEFEBGFKTYNFG-MSOLQXFVSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000605229097 1072339996 /nfs/dbraw/zinc/33/99/96/1072339996.db2.gz MLEFEBGFKTYNFG-MSOLQXFVSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000605229098 1072340210 /nfs/dbraw/zinc/34/02/10/1072340210.db2.gz MLEFEBGFKTYNFG-QZTJIDSGSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000605229098 1072340199 /nfs/dbraw/zinc/34/01/99/1072340199.db2.gz MLEFEBGFKTYNFG-QZTJIDSGSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000605229099 1072340041 /nfs/dbraw/zinc/34/00/41/1072340041.db2.gz MLEFEBGFKTYNFG-ROUUACIJSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000605229099 1072340034 /nfs/dbraw/zinc/34/00/34/1072340034.db2.gz MLEFEBGFKTYNFG-ROUUACIJSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000605229100 1072340107 /nfs/dbraw/zinc/34/01/07/1072340107.db2.gz MLEFEBGFKTYNFG-ZWKOTPCHSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000605229100 1072340095 /nfs/dbraw/zinc/34/00/95/1072340095.db2.gz MLEFEBGFKTYNFG-ZWKOTPCHSA-N 1 2 447.540 -0.172 20 0 IBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000605252086 1072338408 /nfs/dbraw/zinc/33/84/08/1072338408.db2.gz NWBKKPXKCUPDMB-INIZCTEOSA-N 1 2 431.493 -0.624 20 0 IBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000605252087 1072338566 /nfs/dbraw/zinc/33/85/66/1072338566.db2.gz NWBKKPXKCUPDMB-MRXNPFEDSA-N 1 2 431.493 -0.624 20 0 IBADLO CCn1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)c2ccccc21 ZINC000605295924 1072341113 /nfs/dbraw/zinc/34/11/13/1072341113.db2.gz NEEHHSDDVWWYER-UHFFFAOYSA-N 1 2 448.549 -0.334 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605295986 1072341223 /nfs/dbraw/zinc/34/12/23/1072341223.db2.gz SDRHQSUZDLGOOD-UHFFFAOYSA-N 1 2 429.521 -0.004 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605295986 1072341217 /nfs/dbraw/zinc/34/12/17/1072341217.db2.gz SDRHQSUZDLGOOD-UHFFFAOYSA-N 1 2 429.521 -0.004 20 0 IBADLO CC(C)(CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000605324209 1072341635 /nfs/dbraw/zinc/34/16/35/1072341635.db2.gz SRDZIWSNUVSPHK-UHFFFAOYSA-N 1 2 433.575 -0.562 20 0 IBADLO CC1(C)C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000605351123 1072346483 /nfs/dbraw/zinc/34/64/83/1072346483.db2.gz BUKWRCMCSZACKS-UHFFFAOYSA-N 1 2 433.575 -0.562 20 0 IBADLO CC1(C)C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000605351123 1072346478 /nfs/dbraw/zinc/34/64/78/1072346478.db2.gz BUKWRCMCSZACKS-UHFFFAOYSA-N 1 2 433.575 -0.562 20 0 IBADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000605351719 1070806917 /nfs/dbraw/zinc/80/69/17/1070806917.db2.gz MZTITAYYVIPKMT-CVEARBPZSA-N 1 2 433.575 -0.564 20 0 IBADLO C[C@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000605351720 1072346541 /nfs/dbraw/zinc/34/65/41/1072346541.db2.gz MZTITAYYVIPKMT-HOTGVXAUSA-N 1 2 433.575 -0.564 20 0 IBADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000605351721 1072346617 /nfs/dbraw/zinc/34/66/17/1072346617.db2.gz MZTITAYYVIPKMT-HZPDHXFCSA-N 1 2 433.575 -0.564 20 0 IBADLO C[C@H]([C@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000605351722 1072346572 /nfs/dbraw/zinc/34/65/72/1072346572.db2.gz MZTITAYYVIPKMT-JKSUJKDBSA-N 1 2 433.575 -0.564 20 0 IBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000605355714 1070807522 /nfs/dbraw/zinc/80/75/22/1070807522.db2.gz BEPDYSZSCLMGME-UHFFFAOYSA-N 1 2 438.554 -0.045 20 0 IBADLO CS(=O)(=O)c1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccn21 ZINC000605378436 1070912836 /nfs/dbraw/zinc/91/28/36/1070912836.db2.gz STVDECKLKKNPOL-AWEZNQCLSA-N 1 2 435.506 -0.599 20 0 IBADLO CS(=O)(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccn21 ZINC000605378437 1072343231 /nfs/dbraw/zinc/34/32/31/1072343231.db2.gz STVDECKLKKNPOL-CQSZACIVSA-N 1 2 435.506 -0.599 20 0 IBADLO O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378546 1072344236 /nfs/dbraw/zinc/34/42/36/1072344236.db2.gz BTWCKZWAWIIAEY-GOSISDBHSA-N 1 2 425.489 -0.040 20 0 IBADLO O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378547 1072344309 /nfs/dbraw/zinc/34/43/09/1072344309.db2.gz BTWCKZWAWIIAEY-SFHVURJKSA-N 1 2 425.489 -0.040 20 0 IBADLO O=C(CNC(=O)N1CCc2ccccc2C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378638 1072343891 /nfs/dbraw/zinc/34/38/91/1072343891.db2.gz HKMJAXINPMWQSJ-IBGZPJMESA-N 1 2 429.521 -0.196 20 0 IBADLO O=C(CNC(=O)N1CCc2ccccc2C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378639 1072343812 /nfs/dbraw/zinc/34/38/12/1072343812.db2.gz HKMJAXINPMWQSJ-LJQANCHMSA-N 1 2 429.521 -0.196 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378728 1072343766 /nfs/dbraw/zinc/34/37/66/1072343766.db2.gz LTTYJSVJODKSPK-DZGCQCFKSA-N 1 2 443.526 -0.992 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378729 1072343557 /nfs/dbraw/zinc/34/35/57/1072343557.db2.gz LTTYJSVJODKSPK-ZFWWWQNUSA-N 1 2 443.526 -0.992 20 0 IBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378738 1072344298 /nfs/dbraw/zinc/34/42/98/1072344298.db2.gz MDQIAMPYVOKZTN-KBPBESRZSA-N 1 2 430.552 -0.536 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378739 1072344335 /nfs/dbraw/zinc/34/43/35/1072344335.db2.gz MDQIAMPYVOKZTN-KGLIPLIRSA-N 1 2 430.552 -0.536 20 0 IBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378740 1072344379 /nfs/dbraw/zinc/34/43/79/1072344379.db2.gz MDQIAMPYVOKZTN-UONOGXRCSA-N 1 2 430.552 -0.536 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378741 1072344362 /nfs/dbraw/zinc/34/43/62/1072344362.db2.gz MDQIAMPYVOKZTN-ZIAGYGMSSA-N 1 2 430.552 -0.536 20 0 IBADLO CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000605378782 1072343782 /nfs/dbraw/zinc/34/37/82/1072343782.db2.gz OHSLFCIGSVQVBV-AWEZNQCLSA-N 1 2 428.486 -0.140 20 0 IBADLO CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000605378783 1072343877 /nfs/dbraw/zinc/34/38/77/1072343877.db2.gz OHSLFCIGSVQVBV-CQSZACIVSA-N 1 2 428.486 -0.140 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378906 1072343652 /nfs/dbraw/zinc/34/36/52/1072343652.db2.gz VJFARAJIGKAJRZ-CYBMUJFWSA-N 1 2 426.495 -0.995 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378907 1072343715 /nfs/dbraw/zinc/34/37/15/1072343715.db2.gz VJFARAJIGKAJRZ-ZDUSSCGKSA-N 1 2 426.495 -0.995 20 0 IBADLO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378930 1072343678 /nfs/dbraw/zinc/34/36/78/1072343678.db2.gz WWUZDQAASCQARI-MOPGFXCFSA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378931 1072343629 /nfs/dbraw/zinc/34/36/29/1072343629.db2.gz WWUZDQAASCQARI-OALUTQOASA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378932 1072343916 /nfs/dbraw/zinc/34/39/16/1072343916.db2.gz WWUZDQAASCQARI-RBUKOAKNSA-N 1 2 445.499 -0.046 20 0 IBADLO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378933 1072343749 /nfs/dbraw/zinc/34/37/49/1072343749.db2.gz WWUZDQAASCQARI-RTBURBONSA-N 1 2 445.499 -0.046 20 0 IBADLO COCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378936 1070913587 /nfs/dbraw/zinc/91/35/87/1070913587.db2.gz XFLUXQKLDZRXAU-KRWDZBQOSA-N 1 2 439.534 -0.230 20 0 IBADLO COCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378937 1072343839 /nfs/dbraw/zinc/34/38/39/1072343839.db2.gz XFLUXQKLDZRXAU-QGZVFWFLSA-N 1 2 439.534 -0.230 20 0 IBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378966 1070913676 /nfs/dbraw/zinc/91/36/76/1070913676.db2.gz YVUBQYSJRXACRG-KRWDZBQOSA-N 1 2 438.550 -0.423 20 0 IBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378967 1072343905 /nfs/dbraw/zinc/34/39/05/1072343905.db2.gz YVUBQYSJRXACRG-QGZVFWFLSA-N 1 2 438.550 -0.423 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000605379064 1072343266 /nfs/dbraw/zinc/34/32/66/1072343266.db2.gz FWVUWDJSYYQNJU-KRWDZBQOSA-N 1 2 436.534 -0.210 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000605379065 1072343204 /nfs/dbraw/zinc/34/32/04/1072343204.db2.gz FWVUWDJSYYQNJU-QGZVFWFLSA-N 1 2 436.534 -0.210 20 0 IBADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379070 1072343102 /nfs/dbraw/zinc/34/31/02/1072343102.db2.gz GDEGPLUGRRSPOK-HNNXBMFYSA-N 1 2 429.477 -0.459 20 0 IBADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379071 1072343146 /nfs/dbraw/zinc/34/31/46/1072343146.db2.gz GDEGPLUGRRSPOK-OAHLLOKOSA-N 1 2 429.477 -0.459 20 0 IBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605379084 1072343255 /nfs/dbraw/zinc/34/32/55/1072343255.db2.gz HBKQDDYJXONREE-GOSISDBHSA-N 1 2 444.598 -0.122 20 0 IBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605379085 1070913632 /nfs/dbraw/zinc/91/36/32/1070913632.db2.gz HBKQDDYJXONREE-SFHVURJKSA-N 1 2 444.598 -0.122 20 0 IBADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379144 1072343823 /nfs/dbraw/zinc/34/38/23/1072343823.db2.gz JUYKZLDRWDQFGH-DRMAHVMPSA-N 1 2 439.582 -0.239 20 0 IBADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379145 1072343796 /nfs/dbraw/zinc/34/37/96/1072343796.db2.gz JUYKZLDRWDQFGH-FPXQBCRKSA-N 1 2 439.582 -0.239 20 0 IBADLO NC(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccccc1 ZINC000605379166 1072343732 /nfs/dbraw/zinc/34/37/32/1072343732.db2.gz KMQIXNXWOGDIBH-HNNXBMFYSA-N 1 2 426.477 -0.366 20 0 IBADLO NC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccccc1 ZINC000605379167 1072343599 /nfs/dbraw/zinc/34/35/99/1072343599.db2.gz KMQIXNXWOGDIBH-OAHLLOKOSA-N 1 2 426.477 -0.366 20 0 IBADLO CCn1c(=O)[nH]c2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2c1=O ZINC000605379212 1070913558 /nfs/dbraw/zinc/91/35/58/1070913558.db2.gz NPZDLVRTYIAYFL-HNNXBMFYSA-N 1 2 429.477 -0.215 20 0 IBADLO CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2c1=O ZINC000605379213 1072343302 /nfs/dbraw/zinc/34/33/02/1072343302.db2.gz NPZDLVRTYIAYFL-OAHLLOKOSA-N 1 2 429.477 -0.215 20 0 IBADLO O=C(Cn1cc(Br)ccc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379300 1072343167 /nfs/dbraw/zinc/34/31/67/1072343167.db2.gz RWTLIFCVUNPMDS-AWEZNQCLSA-N 1 2 427.299 -0.340 20 0 IBADLO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379301 1072343184 /nfs/dbraw/zinc/34/31/84/1072343184.db2.gz RWTLIFCVUNPMDS-CQSZACIVSA-N 1 2 427.299 -0.340 20 0 IBADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605379374 1072344389 /nfs/dbraw/zinc/34/43/89/1072344389.db2.gz WLEAIXPBNGHEDB-INIZCTEOSA-N 1 2 438.550 -0.044 20 0 IBADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605379375 1072344259 /nfs/dbraw/zinc/34/42/59/1072344259.db2.gz WLEAIXPBNGHEDB-MRXNPFEDSA-N 1 2 438.550 -0.044 20 0 IBADLO O=C(CN1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000605386874 1072345121 /nfs/dbraw/zinc/34/51/21/1072345121.db2.gz DSRDTXLPDSYXNO-IBGZPJMESA-N 1 2 445.545 -0.008 20 0 IBADLO O=C(CN1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000605386875 1072345178 /nfs/dbraw/zinc/34/51/78/1072345178.db2.gz DSRDTXLPDSYXNO-LJQANCHMSA-N 1 2 445.545 -0.008 20 0 IBADLO CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605418950 1072346964 /nfs/dbraw/zinc/34/69/64/1072346964.db2.gz JZHROHYDTNZCPI-INIZCTEOSA-N 1 2 427.575 -0.099 20 0 IBADLO CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605418951 1072347128 /nfs/dbraw/zinc/34/71/28/1072347128.db2.gz JZHROHYDTNZCPI-MRXNPFEDSA-N 1 2 427.575 -0.099 20 0 IBADLO COc1ccc(OC)c(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000605418990 1072347628 /nfs/dbraw/zinc/34/76/28/1072347628.db2.gz MTUIPKUCLQQBAB-UHFFFAOYSA-N 1 2 441.554 -0.248 20 0 IBADLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605418991 1072347782 /nfs/dbraw/zinc/34/77/82/1072347782.db2.gz MTYKQLAQPZXXEV-HNNXBMFYSA-N 1 2 438.554 -0.778 20 0 IBADLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605418992 1072347792 /nfs/dbraw/zinc/34/77/92/1072347792.db2.gz MTYKQLAQPZXXEV-OAHLLOKOSA-N 1 2 438.554 -0.778 20 0 IBADLO COc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1 ZINC000605419003 1072347708 /nfs/dbraw/zinc/34/77/08/1072347708.db2.gz ODMMODKJNCUJNQ-UHFFFAOYSA-N 1 2 441.554 -0.248 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000605429584 1074355158 /nfs/dbraw/zinc/35/51/58/1074355158.db2.gz YAMNIWJFYKZWFX-UHFFFAOYSA-N 1 2 433.513 -0.486 20 0 IBADLO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c(C)c12 ZINC000605440377 1072349172 /nfs/dbraw/zinc/34/91/72/1072349172.db2.gz BFAHZHBATGXDDD-INIZCTEOSA-N 1 2 444.536 -0.140 20 0 IBADLO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c(C)c12 ZINC000605440379 1072349312 /nfs/dbraw/zinc/34/93/12/1072349312.db2.gz BFAHZHBATGXDDD-MRXNPFEDSA-N 1 2 444.536 -0.140 20 0 IBADLO CCn1c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2[nH]c(=O)c1=O ZINC000605440480 1072349355 /nfs/dbraw/zinc/34/93/55/1072349355.db2.gz GTYSABXYLGUTGR-HNNXBMFYSA-N 1 2 429.477 -0.627 20 0 IBADLO CCn1c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2[nH]c(=O)c1=O ZINC000605440486 1072349219 /nfs/dbraw/zinc/34/92/19/1072349219.db2.gz GTYSABXYLGUTGR-OAHLLOKOSA-N 1 2 429.477 -0.627 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000605440613 1072349083 /nfs/dbraw/zinc/34/90/83/1072349083.db2.gz KCBKZIMYOCOJHK-KRWDZBQOSA-N 1 2 442.524 -0.610 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000605440618 1072349244 /nfs/dbraw/zinc/34/92/44/1072349244.db2.gz KCBKZIMYOCOJHK-QGZVFWFLSA-N 1 2 442.524 -0.610 20 0 IBADLO COc1ccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605440770 1072349124 /nfs/dbraw/zinc/34/91/24/1072349124.db2.gz ORONHNYMGFWINA-INIZCTEOSA-N 1 2 434.493 -0.517 20 0 IBADLO COc1ccc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605440771 1072349400 /nfs/dbraw/zinc/34/94/00/1072349400.db2.gz ORONHNYMGFWINA-MRXNPFEDSA-N 1 2 434.493 -0.517 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000605440772 1072349429 /nfs/dbraw/zinc/34/94/29/1072349429.db2.gz OZWKQQCRJFOOKQ-GOSISDBHSA-N 1 2 428.489 -0.002 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000605440773 1072349417 /nfs/dbraw/zinc/34/94/17/1072349417.db2.gz OZWKQQCRJFOOKQ-SFHVURJKSA-N 1 2 428.489 -0.002 20 0 IBADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440795 1072349281 /nfs/dbraw/zinc/34/92/81/1072349281.db2.gz PRQRISFUQBLDLD-HNNXBMFYSA-N 1 2 430.509 -0.117 20 0 IBADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440796 1072349104 /nfs/dbraw/zinc/34/91/04/1072349104.db2.gz PRQRISFUQBLDLD-OAHLLOKOSA-N 1 2 430.509 -0.117 20 0 IBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440992 1070985297 /nfs/dbraw/zinc/98/52/97/1070985297.db2.gz YFAHBUAXYIMELA-GJZGRUSLSA-N 1 2 442.513 -0.458 20 0 IBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440993 1072349376 /nfs/dbraw/zinc/34/93/76/1072349376.db2.gz YFAHBUAXYIMELA-LSDHHAIUSA-N 1 2 442.513 -0.458 20 0 IBADLO CS(=O)(=O)c1ccc(OCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528381 1072350797 /nfs/dbraw/zinc/35/07/97/1072350797.db2.gz CHZPIMMIVLVQAV-INIZCTEOSA-N 1 2 439.534 -0.092 20 0 IBADLO CS(=O)(=O)c1ccc(OCCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528382 1072350983 /nfs/dbraw/zinc/35/09/83/1072350983.db2.gz CHZPIMMIVLVQAV-MRXNPFEDSA-N 1 2 439.534 -0.092 20 0 IBADLO O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528713 1072351636 /nfs/dbraw/zinc/35/16/36/1072351636.db2.gz HENOUGHAKZDBDQ-HNNXBMFYSA-N 1 2 428.493 -0.268 20 0 IBADLO O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528714 1072351491 /nfs/dbraw/zinc/35/14/91/1072351491.db2.gz HENOUGHAKZDBDQ-OAHLLOKOSA-N 1 2 428.493 -0.268 20 0 IBADLO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528761 1072351695 /nfs/dbraw/zinc/35/16/95/1072351695.db2.gz KRXDVPLFCVRVMR-GOSISDBHSA-N 1 2 438.550 -0.559 20 0 IBADLO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528762 1072351724 /nfs/dbraw/zinc/35/17/24/1072351724.db2.gz KRXDVPLFCVRVMR-SFHVURJKSA-N 1 2 438.550 -0.559 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528779 1072351356 /nfs/dbraw/zinc/35/13/56/1072351356.db2.gz LQORHUCJAWLGLZ-DLBZAZTESA-N 1 2 438.550 -0.289 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528780 1072351384 /nfs/dbraw/zinc/35/13/84/1072351384.db2.gz LQORHUCJAWLGLZ-IRXDYDNUSA-N 1 2 438.550 -0.289 20 0 IBADLO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000605529057 1072351046 /nfs/dbraw/zinc/35/10/46/1072351046.db2.gz BAPBKUDRTPHOLS-AWEZNQCLSA-N 1 2 444.579 -0.497 20 0 IBADLO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000605529058 1072351596 /nfs/dbraw/zinc/35/15/96/1072351596.db2.gz BAPBKUDRTPHOLS-CQSZACIVSA-N 1 2 444.579 -0.497 20 0 IBADLO CNC(=O)COc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605529182 1072351067 /nfs/dbraw/zinc/35/10/67/1072351067.db2.gz QZUNZXDALUBFBH-INIZCTEOSA-N 1 2 434.493 -0.517 20 0 IBADLO CNC(=O)COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605529183 1072350859 /nfs/dbraw/zinc/35/08/59/1072350859.db2.gz QZUNZXDALUBFBH-MRXNPFEDSA-N 1 2 434.493 -0.517 20 0 IBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000605529394 1072350758 /nfs/dbraw/zinc/35/07/58/1072350758.db2.gz GMHYZPYPQOJQRS-JQHMZKTJSA-N 1 2 449.552 -0.074 20 0 IBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000605529403 1072350963 /nfs/dbraw/zinc/35/09/63/1072350963.db2.gz GMHYZPYPQOJQRS-PSCUFVCCSA-N 1 2 449.552 -0.074 20 0 IBADLO O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529416 1072350836 /nfs/dbraw/zinc/35/08/36/1072350836.db2.gz HFKMVXTUSNSMEJ-AWEZNQCLSA-N 1 2 430.552 -0.534 20 0 IBADLO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529425 1072351101 /nfs/dbraw/zinc/35/11/01/1072351101.db2.gz HFKMVXTUSNSMEJ-CQSZACIVSA-N 1 2 430.552 -0.534 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000605529426 1072350896 /nfs/dbraw/zinc/35/08/96/1072350896.db2.gz HGRWVQNAQNIORD-KRWDZBQOSA-N 1 2 429.477 -0.599 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000605529432 1072350920 /nfs/dbraw/zinc/35/09/20/1072350920.db2.gz HGRWVQNAQNIORD-QGZVFWFLSA-N 1 2 429.477 -0.599 20 0 IBADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529572 1072351577 /nfs/dbraw/zinc/35/15/77/1072351577.db2.gz JUYKZLDRWDQFGH-IUVQAAGXSA-N 1 2 439.582 -0.239 20 0 IBADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529573 1072351560 /nfs/dbraw/zinc/35/15/60/1072351560.db2.gz JUYKZLDRWDQFGH-PASDCYSWSA-N 1 2 439.582 -0.239 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000605529766 1072351736 /nfs/dbraw/zinc/35/17/36/1072351736.db2.gz LJLYMBVQUYBNSV-KRWDZBQOSA-N 1 2 429.477 -0.599 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000605529767 1071049390 /nfs/dbraw/zinc/04/93/90/1071049390.db2.gz LJLYMBVQUYBNSV-QGZVFWFLSA-N 1 2 429.477 -0.599 20 0 IBADLO O=C(CSc1nnnn1CC(F)(F)F)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529778 1072351536 /nfs/dbraw/zinc/35/15/36/1072351536.db2.gz LOQRVVATGCDBHE-LLVKDONJSA-N 1 2 437.448 -0.623 20 0 IBADLO O=C(CSc1nnnn1CC(F)(F)F)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529779 1072351653 /nfs/dbraw/zinc/35/16/53/1072351653.db2.gz LOQRVVATGCDBHE-NSHDSACASA-N 1 2 437.448 -0.623 20 0 IBADLO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529809 1072351408 /nfs/dbraw/zinc/35/14/08/1072351408.db2.gz MGOGSYTYGFWISP-MOPGFXCFSA-N 1 2 427.509 -0.185 20 0 IBADLO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529810 1072351669 /nfs/dbraw/zinc/35/16/69/1072351669.db2.gz MGOGSYTYGFWISP-OALUTQOASA-N 1 2 427.509 -0.185 20 0 IBADLO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529812 1072351515 /nfs/dbraw/zinc/35/15/15/1072351515.db2.gz MGOGSYTYGFWISP-RBUKOAKNSA-N 1 2 427.509 -0.185 20 0 IBADLO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529813 1072351684 /nfs/dbraw/zinc/35/16/84/1072351684.db2.gz MGOGSYTYGFWISP-RTBURBONSA-N 1 2 427.509 -0.185 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000605529844 1072351453 /nfs/dbraw/zinc/35/14/53/1072351453.db2.gz NDQWFJIUGJEZQZ-AWEZNQCLSA-N 1 2 442.476 -0.505 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000605529846 1072351711 /nfs/dbraw/zinc/35/17/11/1072351711.db2.gz NDQWFJIUGJEZQZ-CQSZACIVSA-N 1 2 442.476 -0.505 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000605530984 1072352255 /nfs/dbraw/zinc/35/22/55/1072352255.db2.gz SKELURJDVMKOHY-GFCCVEGCSA-N 1 2 438.286 -0.450 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000605531016 1072352162 /nfs/dbraw/zinc/35/21/62/1072352162.db2.gz SKELURJDVMKOHY-LBPRGKRZSA-N 1 2 438.286 -0.450 20 0 IBADLO NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531018 1072352012 /nfs/dbraw/zinc/35/20/12/1072352012.db2.gz SLIIGBIHYLBEOH-APWZRJJASA-N 1 2 442.520 -0.203 20 0 IBADLO NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531030 1072352036 /nfs/dbraw/zinc/35/20/36/1072352036.db2.gz SLIIGBIHYLBEOH-LPHOPBHVSA-N 1 2 442.520 -0.203 20 0 IBADLO NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531032 1072352177 /nfs/dbraw/zinc/35/21/77/1072352177.db2.gz SLIIGBIHYLBEOH-QFBILLFUSA-N 1 2 442.520 -0.203 20 0 IBADLO NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531034 1072352103 /nfs/dbraw/zinc/35/21/03/1072352103.db2.gz SLIIGBIHYLBEOH-VQIMIIECSA-N 1 2 442.520 -0.203 20 0 IBADLO O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531193 1072352233 /nfs/dbraw/zinc/35/22/33/1072352233.db2.gz VEANKZXLRYIOBX-HNNXBMFYSA-N 1 2 442.513 -0.457 20 0 IBADLO O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531200 1072352059 /nfs/dbraw/zinc/35/20/59/1072352059.db2.gz VEANKZXLRYIOBX-OAHLLOKOSA-N 1 2 442.513 -0.457 20 0 IBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531525 1072352189 /nfs/dbraw/zinc/35/21/89/1072352189.db2.gz YAZFKONRRVNCMJ-AEFFLSMTSA-N 1 2 442.524 -0.676 20 0 IBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531528 1072352201 /nfs/dbraw/zinc/35/22/01/1072352201.db2.gz YAZFKONRRVNCMJ-FUHWJXTLSA-N 1 2 442.524 -0.676 20 0 IBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531530 1072352141 /nfs/dbraw/zinc/35/21/41/1072352141.db2.gz YAZFKONRRVNCMJ-SJLPKXTDSA-N 1 2 442.524 -0.676 20 0 IBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531531 1072352082 /nfs/dbraw/zinc/35/20/82/1072352082.db2.gz YAZFKONRRVNCMJ-WMZOPIPTSA-N 1 2 442.524 -0.676 20 0 IBADLO O=C(CN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000605535801 1072353511 /nfs/dbraw/zinc/35/35/11/1072353511.db2.gz MYGZOCXYKDMNIL-KRWDZBQOSA-N 1 2 431.518 -0.067 20 0 IBADLO O=C(CN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000605535802 1072353415 /nfs/dbraw/zinc/35/34/15/1072353415.db2.gz MYGZOCXYKDMNIL-QGZVFWFLSA-N 1 2 431.518 -0.067 20 0 IBADLO O=C(CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000605535821 1072353616 /nfs/dbraw/zinc/35/36/16/1072353616.db2.gz NOZVABMVTSYKMQ-KRWDZBQOSA-N 1 2 431.518 -0.067 20 0 IBADLO O=C(CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000605535822 1072353597 /nfs/dbraw/zinc/35/35/97/1072353597.db2.gz NOZVABMVTSYKMQ-QGZVFWFLSA-N 1 2 431.518 -0.067 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)[C@@H]1CCOC1 ZINC000605601568 1072354539 /nfs/dbraw/zinc/35/45/39/1072354539.db2.gz VCDAIFJKLUJQLD-CVEARBPZSA-N 1 2 427.527 -0.770 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)[C@H]1CCOC1 ZINC000605601572 1072354422 /nfs/dbraw/zinc/35/44/22/1072354422.db2.gz VCDAIFJKLUJQLD-HOTGVXAUSA-N 1 2 427.527 -0.770 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)[C@@H]1CCOC1 ZINC000605601574 1072354627 /nfs/dbraw/zinc/35/46/27/1072354627.db2.gz VCDAIFJKLUJQLD-HZPDHXFCSA-N 1 2 427.527 -0.770 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)[C@H]1CCOC1 ZINC000605601575 1072354412 /nfs/dbraw/zinc/35/44/12/1072354412.db2.gz VCDAIFJKLUJQLD-JKSUJKDBSA-N 1 2 427.527 -0.770 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)C1CCOCC1 ZINC000605852435 1072355993 /nfs/dbraw/zinc/35/59/93/1072355993.db2.gz HHMACADVJKPMGZ-KRWDZBQOSA-N 1 2 441.554 -0.380 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)C1CCOCC1 ZINC000605852438 1072356113 /nfs/dbraw/zinc/35/61/13/1072356113.db2.gz HHMACADVJKPMGZ-QGZVFWFLSA-N 1 2 441.554 -0.380 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000605884224 1072355487 /nfs/dbraw/zinc/35/54/87/1072355487.db2.gz VHVFMANXWLARIF-KBPBESRZSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000605884231 1072355693 /nfs/dbraw/zinc/35/56/93/1072355693.db2.gz VHVFMANXWLARIF-KGLIPLIRSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000605884241 1072355716 /nfs/dbraw/zinc/35/57/16/1072355716.db2.gz VHVFMANXWLARIF-UONOGXRCSA-N 1 2 427.527 -0.058 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000605884250 1072355630 /nfs/dbraw/zinc/35/56/30/1072355630.db2.gz VHVFMANXWLARIF-ZIAGYGMSSA-N 1 2 427.527 -0.058 20 0 IBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000605983658 1071442999 /nfs/dbraw/zinc/44/29/99/1071442999.db2.gz PQUVHUIHVFJWCH-UHFFFAOYSA-N 1 2 443.512 -0.724 20 0 IBADLO Cc1noc(C)c1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606014639 1072357337 /nfs/dbraw/zinc/35/73/37/1072357337.db2.gz CNNYSOCMZROUOU-UHFFFAOYSA-N 1 2 436.494 -0.107 20 0 IBADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000606032232 1072359497 /nfs/dbraw/zinc/35/94/97/1072359497.db2.gz WJMMGHAMKHZCFC-UHFFFAOYSA-N 1 2 437.522 -0.571 20 0 IBADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000606032232 1072359489 /nfs/dbraw/zinc/35/94/89/1072359489.db2.gz WJMMGHAMKHZCFC-UHFFFAOYSA-N 1 2 437.522 -0.571 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000606032303 1072359555 /nfs/dbraw/zinc/35/95/55/1072359555.db2.gz ZXTZBBVAYPGDMO-UHFFFAOYSA-N 1 2 439.538 -0.325 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000606032303 1072359548 /nfs/dbraw/zinc/35/95/48/1072359548.db2.gz ZXTZBBVAYPGDMO-UHFFFAOYSA-N 1 2 439.538 -0.325 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000606032323 1072359579 /nfs/dbraw/zinc/35/95/79/1072359579.db2.gz WZQHBZGLMDPZHN-UHFFFAOYSA-N 1 2 444.477 -0.702 20 0 IBADLO COc1cc(C)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000606038566 1072360439 /nfs/dbraw/zinc/36/04/39/1072360439.db2.gz VPAYZNUBNUVXIR-UHFFFAOYSA-N 1 2 439.538 -0.421 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000606121806 1072363472 /nfs/dbraw/zinc/36/34/72/1072363472.db2.gz RELJQKJDHHMTEH-UHFFFAOYSA-N 1 2 449.475 -0.149 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCCCCNc3cccc[nH+]3)cnc2n(C)c1=O ZINC000606122143 1072364124 /nfs/dbraw/zinc/36/41/24/1072364124.db2.gz RKRAWVHOYFYFKM-UHFFFAOYSA-N 1 2 425.449 -0.026 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000606125194 1072368493 /nfs/dbraw/zinc/36/84/93/1072368493.db2.gz OMELRDYUUJOCPP-CRAIPNDOSA-N 1 2 445.520 -0.129 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000606125196 1072368367 /nfs/dbraw/zinc/36/83/67/1072368367.db2.gz OMELRDYUUJOCPP-MAUKXSAKSA-N 1 2 445.520 -0.129 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000606125197 1072368569 /nfs/dbraw/zinc/36/85/69/1072368569.db2.gz OMELRDYUUJOCPP-QAPCUYQASA-N 1 2 445.520 -0.129 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000606125198 1072368413 /nfs/dbraw/zinc/36/84/13/1072368413.db2.gz OMELRDYUUJOCPP-YJBOKZPZSA-N 1 2 445.520 -0.129 20 0 IBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000606125479 1072368543 /nfs/dbraw/zinc/36/85/43/1072368543.db2.gz QLHOGNVNCBYMHV-GOSISDBHSA-N 1 2 444.536 -0.774 20 0 IBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000606125480 1072368451 /nfs/dbraw/zinc/36/84/51/1072368451.db2.gz QLHOGNVNCBYMHV-SFHVURJKSA-N 1 2 444.536 -0.774 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000606126942 1072368339 /nfs/dbraw/zinc/36/83/39/1072368339.db2.gz WNFOEXLMWCQVKS-UHFFFAOYSA-N 1 2 429.477 -0.332 20 0 IBADLO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606196932 1072369807 /nfs/dbraw/zinc/36/98/07/1072369807.db2.gz WAGPHMGCJSGEMT-UHFFFAOYSA-N 1 2 427.465 -0.278 20 0 IBADLO Cn1ncc2c1ncn(CC(=O)N1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)c2=O ZINC000606341230 1072370576 /nfs/dbraw/zinc/37/05/76/1072370576.db2.gz OWQGGBDJJBWXHY-UHFFFAOYSA-N 1 2 439.480 -0.895 20 0 IBADLO Cn1ncc2c1ncn(CC(=O)N1CCN(c3cc(N4CCOCC4)nc[nH+]3)CC1)c2=O ZINC000606341230 1072370566 /nfs/dbraw/zinc/37/05/66/1072370566.db2.gz OWQGGBDJJBWXHY-UHFFFAOYSA-N 1 2 439.480 -0.895 20 0 IBADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000606341264 1072370466 /nfs/dbraw/zinc/37/04/66/1072370466.db2.gz PVWAHTKJXKHEOL-NRFANRHFSA-N 1 2 443.508 -0.318 20 0 IBADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000606341264 1072370453 /nfs/dbraw/zinc/37/04/53/1072370453.db2.gz PVWAHTKJXKHEOL-NRFANRHFSA-N 1 2 443.508 -0.318 20 0 IBADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000606341265 1072371216 /nfs/dbraw/zinc/37/12/16/1072371216.db2.gz PVWAHTKJXKHEOL-OAQYLSRUSA-N 1 2 443.508 -0.318 20 0 IBADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000606341265 1072371210 /nfs/dbraw/zinc/37/12/10/1072371210.db2.gz PVWAHTKJXKHEOL-OAQYLSRUSA-N 1 2 443.508 -0.318 20 0 IBADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341436 1072370979 /nfs/dbraw/zinc/37/09/79/1072370979.db2.gz BZMCOKBIRNRJIL-INIZCTEOSA-N 1 2 438.554 -0.224 20 0 IBADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341436 1072370969 /nfs/dbraw/zinc/37/09/69/1072370969.db2.gz BZMCOKBIRNRJIL-INIZCTEOSA-N 1 2 438.554 -0.224 20 0 IBADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341437 1072371130 /nfs/dbraw/zinc/37/11/30/1072371130.db2.gz BZMCOKBIRNRJIL-MRXNPFEDSA-N 1 2 438.554 -0.224 20 0 IBADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341437 1072371125 /nfs/dbraw/zinc/37/11/25/1072371125.db2.gz BZMCOKBIRNRJIL-MRXNPFEDSA-N 1 2 438.554 -0.224 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341753 1072371086 /nfs/dbraw/zinc/37/10/86/1072371086.db2.gz AWCXDCRGUPHJEV-KRWDZBQOSA-N 1 2 445.524 -0.911 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341753 1072371081 /nfs/dbraw/zinc/37/10/81/1072371081.db2.gz AWCXDCRGUPHJEV-KRWDZBQOSA-N 1 2 445.524 -0.911 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341754 1072371155 /nfs/dbraw/zinc/37/11/55/1072371155.db2.gz AWCXDCRGUPHJEV-QGZVFWFLSA-N 1 2 445.524 -0.911 20 0 IBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341754 1072371149 /nfs/dbraw/zinc/37/11/49/1072371149.db2.gz AWCXDCRGUPHJEV-QGZVFWFLSA-N 1 2 445.524 -0.911 20 0 IBADLO O=C(Cn1nnc2ccccc2c1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606342039 1072371052 /nfs/dbraw/zinc/37/10/52/1072371052.db2.gz XWJAPBCKKDXARK-UHFFFAOYSA-N 1 2 436.476 -0.233 20 0 IBADLO O=C(Cn1nnc2ccccc2c1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606342039 1072371046 /nfs/dbraw/zinc/37/10/46/1072371046.db2.gz XWJAPBCKKDXARK-UHFFFAOYSA-N 1 2 436.476 -0.233 20 0 IBADLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606342042 1072370863 /nfs/dbraw/zinc/37/08/63/1072370863.db2.gz YIWYJKQZGJAGPU-UHFFFAOYSA-N 1 2 438.492 -0.151 20 0 IBADLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606342042 1072370850 /nfs/dbraw/zinc/37/08/50/1072370850.db2.gz YIWYJKQZGJAGPU-UHFFFAOYSA-N 1 2 438.492 -0.151 20 0 IBADLO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606342204 1072371029 /nfs/dbraw/zinc/37/10/29/1072371029.db2.gz SHONWBXZQIWWHG-UHFFFAOYSA-N 1 2 443.508 -0.174 20 0 IBADLO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606342204 1072371020 /nfs/dbraw/zinc/37/10/20/1072371020.db2.gz SHONWBXZQIWWHG-UHFFFAOYSA-N 1 2 443.508 -0.174 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606371327 1072371721 /nfs/dbraw/zinc/37/17/21/1072371721.db2.gz LCCVDFPMANZCIO-UHFFFAOYSA-N 1 2 444.536 -0.043 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606371327 1072371719 /nfs/dbraw/zinc/37/17/19/1072371719.db2.gz LCCVDFPMANZCIO-UHFFFAOYSA-N 1 2 444.536 -0.043 20 0 IBADLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371358 1072371887 /nfs/dbraw/zinc/37/18/87/1072371887.db2.gz OLWQJSRAKTZSJR-UHFFFAOYSA-N 1 2 442.520 -0.289 20 0 IBADLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371358 1072371867 /nfs/dbraw/zinc/37/18/67/1072371867.db2.gz OLWQJSRAKTZSJR-UHFFFAOYSA-N 1 2 442.520 -0.289 20 0 IBADLO NS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000606428073 1072372266 /nfs/dbraw/zinc/37/22/66/1072372266.db2.gz HGGPBINDAWAQRD-UHFFFAOYSA-N 1 2 446.533 -0.148 20 0 IBADLO NS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000606428073 1072372255 /nfs/dbraw/zinc/37/22/55/1072372255.db2.gz HGGPBINDAWAQRD-UHFFFAOYSA-N 1 2 446.533 -0.148 20 0 IBADLO C[C@@H](C(=O)N(C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)n1cccn1 ZINC000606428109 1072372179 /nfs/dbraw/zinc/37/21/79/1072372179.db2.gz JWRHJHQUCLLRRK-KRWDZBQOSA-N 1 2 442.524 -0.122 20 0 IBADLO C[C@@H](C(=O)N(C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)n1cccn1 ZINC000606428109 1072372173 /nfs/dbraw/zinc/37/21/73/1072372173.db2.gz JWRHJHQUCLLRRK-KRWDZBQOSA-N 1 2 442.524 -0.122 20 0 IBADLO C[C@H](C(=O)N(C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)n1cccn1 ZINC000606428110 1072372405 /nfs/dbraw/zinc/37/24/05/1072372405.db2.gz JWRHJHQUCLLRRK-QGZVFWFLSA-N 1 2 442.524 -0.122 20 0 IBADLO C[C@H](C(=O)N(C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)n1cccn1 ZINC000606428110 1072372395 /nfs/dbraw/zinc/37/23/95/1072372395.db2.gz JWRHJHQUCLLRRK-QGZVFWFLSA-N 1 2 442.524 -0.122 20 0 IBADLO CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428231 1072372143 /nfs/dbraw/zinc/37/21/43/1072372143.db2.gz RQAJVIDFEMJWOJ-UHFFFAOYSA-N 1 2 426.543 -0.320 20 0 IBADLO CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428231 1072372137 /nfs/dbraw/zinc/37/21/37/1072372137.db2.gz RQAJVIDFEMJWOJ-UHFFFAOYSA-N 1 2 426.543 -0.320 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000606428244 1072372107 /nfs/dbraw/zinc/37/21/07/1072372107.db2.gz TUUZNVXUUIVAPG-UHFFFAOYSA-N 1 2 438.535 -0.016 20 0 IBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000606428244 1072372103 /nfs/dbraw/zinc/37/21/03/1072372103.db2.gz TUUZNVXUUIVAPG-UHFFFAOYSA-N 1 2 438.535 -0.016 20 0 IBADLO O=C(C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000606431203 1072372426 /nfs/dbraw/zinc/37/24/26/1072372426.db2.gz WOYZZEIFTDFSCI-UHFFFAOYSA-N 1 2 444.561 -0.046 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000606452580 1072372473 /nfs/dbraw/zinc/37/24/73/1072372473.db2.gz UXELTZSDSQOKAB-UHFFFAOYSA-N 1 2 430.597 -0.027 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000606452580 1072372466 /nfs/dbraw/zinc/37/24/66/1072372466.db2.gz UXELTZSDSQOKAB-UHFFFAOYSA-N 1 2 430.597 -0.027 20 0 IBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000606454451 1072372444 /nfs/dbraw/zinc/37/24/44/1072372444.db2.gz WAMBXJVYAUWYDL-UHFFFAOYSA-N 1 2 443.552 -0.484 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606454519 1072372237 /nfs/dbraw/zinc/37/22/37/1072372237.db2.gz FIHQZBDHSKCVMY-KRWDZBQOSA-N 1 2 431.541 -0.486 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606454520 1072372357 /nfs/dbraw/zinc/37/23/57/1072372357.db2.gz FIHQZBDHSKCVMY-QGZVFWFLSA-N 1 2 431.541 -0.486 20 0 IBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NCCCN1CCCC1=O ZINC000606454583 1072372322 /nfs/dbraw/zinc/37/23/22/1072372322.db2.gz LIEDGRXHIPPMBX-UHFFFAOYSA-N 1 2 431.541 -0.436 20 0 IBADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606454604 1072372379 /nfs/dbraw/zinc/37/23/79/1072372379.db2.gz MOSXKUWQMACCTH-INIZCTEOSA-N 1 2 431.541 -0.439 20 0 IBADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606454605 1072372338 /nfs/dbraw/zinc/37/23/38/1072372338.db2.gz MOSXKUWQMACCTH-MRXNPFEDSA-N 1 2 431.541 -0.439 20 0 IBADLO COCCN(CCOC)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606466530 1072372207 /nfs/dbraw/zinc/37/22/07/1072372207.db2.gz HSENOGMOEURITJ-UHFFFAOYSA-N 1 2 444.558 -0.725 20 0 IBADLO COCCN(CCOC)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606466530 1072372198 /nfs/dbraw/zinc/37/21/98/1072372198.db2.gz HSENOGMOEURITJ-UHFFFAOYSA-N 1 2 444.558 -0.725 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C(N)=O ZINC000606466544 1072372295 /nfs/dbraw/zinc/37/22/95/1072372295.db2.gz JGOONYFVVJNRLK-UHFFFAOYSA-N 1 2 435.510 -0.739 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C(N)=O ZINC000606466544 1072372286 /nfs/dbraw/zinc/37/22/86/1072372286.db2.gz JGOONYFVVJNRLK-UHFFFAOYSA-N 1 2 435.510 -0.739 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[C@H](C)O1 ZINC000606466620 1072371591 /nfs/dbraw/zinc/37/15/91/1072371591.db2.gz WKIGDNGKOHWWPR-HOTGVXAUSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[C@H](C)O1 ZINC000606466620 1072371588 /nfs/dbraw/zinc/37/15/88/1072371588.db2.gz WKIGDNGKOHWWPR-HOTGVXAUSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[C@@H](C)O1 ZINC000606466621 1072371680 /nfs/dbraw/zinc/37/16/80/1072371680.db2.gz WKIGDNGKOHWWPR-HZPDHXFCSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[C@@H](C)O1 ZINC000606466621 1072371673 /nfs/dbraw/zinc/37/16/73/1072371673.db2.gz WKIGDNGKOHWWPR-HZPDHXFCSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[C@H](C)O1 ZINC000606466622 1072371829 /nfs/dbraw/zinc/37/18/29/1072371829.db2.gz WKIGDNGKOHWWPR-IYBDPMFKSA-N 1 2 426.543 -0.211 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[C@H](C)O1 ZINC000606466622 1072371816 /nfs/dbraw/zinc/37/18/16/1072371816.db2.gz WKIGDNGKOHWWPR-IYBDPMFKSA-N 1 2 426.543 -0.211 20 0 IBADLO CN(CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)S(C)(=O)=O ZINC000606490260 1072372876 /nfs/dbraw/zinc/37/28/76/1072372876.db2.gz NBHNLWZFLMVMRL-UHFFFAOYSA-N 1 2 441.558 -0.574 20 0 IBADLO CN(CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)S(C)(=O)=O ZINC000606490260 1072372865 /nfs/dbraw/zinc/37/28/65/1072372865.db2.gz NBHNLWZFLMVMRL-UHFFFAOYSA-N 1 2 441.558 -0.574 20 0 IBADLO COCC(=O)N1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606499586 1072372781 /nfs/dbraw/zinc/37/27/81/1072372781.db2.gz BQFQOHMDKQNAEG-UHFFFAOYSA-N 1 2 447.540 -0.218 20 0 IBADLO COCC(=O)N1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000606499586 1072372770 /nfs/dbraw/zinc/37/27/70/1072372770.db2.gz BQFQOHMDKQNAEG-UHFFFAOYSA-N 1 2 447.540 -0.218 20 0 IBADLO CCS(=O)(=O)NCCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606499751 1072372988 /nfs/dbraw/zinc/37/29/88/1072372988.db2.gz IKTBYVCOPVVHNH-UHFFFAOYSA-N 1 2 441.558 -0.526 20 0 IBADLO CCS(=O)(=O)NCCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606499751 1072372978 /nfs/dbraw/zinc/37/29/78/1072372978.db2.gz IKTBYVCOPVVHNH-UHFFFAOYSA-N 1 2 441.558 -0.526 20 0 IBADLO CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500437 1072373105 /nfs/dbraw/zinc/37/31/05/1072373105.db2.gz RWPOMKXQIGKPBJ-UHFFFAOYSA-N 1 2 441.558 -0.527 20 0 IBADLO CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500437 1072373095 /nfs/dbraw/zinc/37/30/95/1072373095.db2.gz RWPOMKXQIGKPBJ-UHFFFAOYSA-N 1 2 441.558 -0.527 20 0 IBADLO O=C(NCCCN1C(=O)CCC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606501248 1072372950 /nfs/dbraw/zinc/37/29/50/1072372950.db2.gz POADQMNHYYHCHA-UHFFFAOYSA-N 1 2 431.497 -0.316 20 0 IBADLO O=C(NCCCN1C(=O)CCC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606501248 1072372939 /nfs/dbraw/zinc/37/29/39/1072372939.db2.gz POADQMNHYYHCHA-UHFFFAOYSA-N 1 2 431.497 -0.316 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606502282 1072373029 /nfs/dbraw/zinc/37/30/29/1072373029.db2.gz IVUNKORZKCQPPH-UHFFFAOYSA-N 1 2 432.485 -0.913 20 0 IBADLO O=C(NCCCN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606502282 1072373017 /nfs/dbraw/zinc/37/30/17/1072373017.db2.gz IVUNKORZKCQPPH-UHFFFAOYSA-N 1 2 432.485 -0.913 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NS(C)(=O)=O ZINC000606503766 1072372919 /nfs/dbraw/zinc/37/29/19/1072372919.db2.gz FIFQJJOZXJTMQH-UHFFFAOYSA-N 1 2 441.558 -0.527 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)NS(C)(=O)=O ZINC000606503766 1072372906 /nfs/dbraw/zinc/37/29/06/1072372906.db2.gz FIFQJJOZXJTMQH-UHFFFAOYSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000606537876 1072373705 /nfs/dbraw/zinc/37/37/05/1072373705.db2.gz PTGUESSJUGEJRW-INIZCTEOSA-N 1 2 438.554 -0.919 20 0 IBADLO CN(CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000606537876 1072373697 /nfs/dbraw/zinc/37/36/97/1072373697.db2.gz PTGUESSJUGEJRW-INIZCTEOSA-N 1 2 438.554 -0.919 20 0 IBADLO CN(CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000606537877 1072373624 /nfs/dbraw/zinc/37/36/24/1072373624.db2.gz PTGUESSJUGEJRW-MRXNPFEDSA-N 1 2 438.554 -0.919 20 0 IBADLO CN(CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000606537877 1072373613 /nfs/dbraw/zinc/37/36/13/1072373613.db2.gz PTGUESSJUGEJRW-MRXNPFEDSA-N 1 2 438.554 -0.919 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606568056 1072373547 /nfs/dbraw/zinc/37/35/47/1072373547.db2.gz UNIFVEUXJYKYBE-UHFFFAOYSA-N 1 2 443.512 -0.048 20 0 IBADLO CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606568056 1072373535 /nfs/dbraw/zinc/37/35/35/1072373535.db2.gz UNIFVEUXJYKYBE-UHFFFAOYSA-N 1 2 443.512 -0.048 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccnc1 ZINC000606638044 1072374157 /nfs/dbraw/zinc/37/41/57/1072374157.db2.gz PTWOYVVIUYLZEL-UHFFFAOYSA-N 1 2 440.508 -0.030 20 0 IBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccnc1 ZINC000606638044 1072374152 /nfs/dbraw/zinc/37/41/52/1072374152.db2.gz PTWOYVVIUYLZEL-UHFFFAOYSA-N 1 2 440.508 -0.030 20 0 IBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606688942 1072374869 /nfs/dbraw/zinc/37/48/69/1072374869.db2.gz LXZAZAVPHIJKDD-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606688942 1072374860 /nfs/dbraw/zinc/37/48/60/1072374860.db2.gz LXZAZAVPHIJKDD-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606688943 1072374585 /nfs/dbraw/zinc/37/45/85/1072374585.db2.gz LXZAZAVPHIJKDD-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606688943 1072374579 /nfs/dbraw/zinc/37/45/79/1072374579.db2.gz LXZAZAVPHIJKDD-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000606752737 1072375838 /nfs/dbraw/zinc/37/58/38/1072375838.db2.gz COYFADBKRSBLIQ-UHFFFAOYSA-N 1 2 439.476 -0.301 20 0 IBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000606752737 1072375829 /nfs/dbraw/zinc/37/58/29/1072375829.db2.gz COYFADBKRSBLIQ-UHFFFAOYSA-N 1 2 439.476 -0.301 20 0 IBADLO COCCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000606753294 1072375673 /nfs/dbraw/zinc/37/56/73/1072375673.db2.gz DMPQGVCJHNNHNI-UHFFFAOYSA-N 1 2 444.496 -0.557 20 0 IBADLO COCCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000606753294 1072375666 /nfs/dbraw/zinc/37/56/66/1072375666.db2.gz DMPQGVCJHNNHNI-UHFFFAOYSA-N 1 2 444.496 -0.557 20 0 IBADLO CCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccc1=O ZINC000606754114 1072376462 /nfs/dbraw/zinc/37/64/62/1072376462.db2.gz NKBFEGKNJZCNSJ-UHFFFAOYSA-N 1 2 441.492 -0.218 20 0 IBADLO CCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ccc1=O ZINC000606754114 1072376458 /nfs/dbraw/zinc/37/64/58/1072376458.db2.gz NKBFEGKNJZCNSJ-UHFFFAOYSA-N 1 2 441.492 -0.218 20 0 IBADLO CCc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n(C)n1 ZINC000606754381 1072376207 /nfs/dbraw/zinc/37/62/07/1072376207.db2.gz USJLZDNFSWSRFW-UHFFFAOYSA-N 1 2 428.497 -0.104 20 0 IBADLO CCc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n(C)n1 ZINC000606754381 1072376190 /nfs/dbraw/zinc/37/61/90/1072376190.db2.gz USJLZDNFSWSRFW-UHFFFAOYSA-N 1 2 428.497 -0.104 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000606766932 1072375925 /nfs/dbraw/zinc/37/59/25/1072375925.db2.gz YTWBEOMCFBRKLT-ALOPSCKCSA-N 1 2 436.534 -0.109 20 0 IBADLO CCc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000606988232 1072378849 /nfs/dbraw/zinc/37/88/49/1072378849.db2.gz FYLSHWANJZRIJC-UHFFFAOYSA-N 1 2 436.494 -0.161 20 0 IBADLO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042385 1072379350 /nfs/dbraw/zinc/37/93/50/1072379350.db2.gz CAIRBTZNPCOVAL-FQEVSTJZSA-N 1 2 437.504 -0.102 20 0 IBADLO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042391 1072379424 /nfs/dbraw/zinc/37/94/24/1072379424.db2.gz CAIRBTZNPCOVAL-HXUWFJFHSA-N 1 2 437.504 -0.102 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607043237 1072379415 /nfs/dbraw/zinc/37/94/15/1072379415.db2.gz YHMKPYDSISWKBQ-HNNXBMFYSA-N 1 2 449.537 -0.252 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607052236 1072378807 /nfs/dbraw/zinc/37/88/07/1072378807.db2.gz BVCRGPPEVAADDY-UHFFFAOYSA-N 1 2 449.537 -0.299 20 0 IBADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607052463 1072379045 /nfs/dbraw/zinc/37/90/45/1072379045.db2.gz QGQJOWPATYBKBZ-UHFFFAOYSA-N 1 2 425.497 -0.186 20 0 IBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)cnc21 ZINC000607058235 1072378980 /nfs/dbraw/zinc/37/89/80/1072378980.db2.gz KLXCXERWGPLPCO-UHFFFAOYSA-N 1 2 431.478 -0.018 20 0 IBADLO CC(=O)Nc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000607152691 1072379902 /nfs/dbraw/zinc/37/99/02/1072379902.db2.gz JHCZWKHHXAGJAP-UHFFFAOYSA-N 1 2 438.554 -0.307 20 0 IBADLO CC(C)N(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000607152732 1072380464 /nfs/dbraw/zinc/38/04/64/1072380464.db2.gz OEWPVOQOZUDCSP-UHFFFAOYSA-N 1 2 429.509 -0.105 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000607160046 1072380404 /nfs/dbraw/zinc/38/04/04/1072380404.db2.gz FDWGPOUXMJUIQU-HNNXBMFYSA-N 1 2 447.583 -0.364 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000607160046 1072380400 /nfs/dbraw/zinc/38/04/00/1072380400.db2.gz FDWGPOUXMJUIQU-HNNXBMFYSA-N 1 2 447.583 -0.364 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000607160051 1072380539 /nfs/dbraw/zinc/38/05/39/1072380539.db2.gz FDWGPOUXMJUIQU-OAHLLOKOSA-N 1 2 447.583 -0.364 20 0 IBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000607160051 1072380530 /nfs/dbraw/zinc/38/05/30/1072380530.db2.gz FDWGPOUXMJUIQU-OAHLLOKOSA-N 1 2 447.583 -0.364 20 0 IBADLO C[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCN(C)CC1 ZINC000607190521 1072380432 /nfs/dbraw/zinc/38/04/32/1072380432.db2.gz QSRVLVZPRBSUFN-HNNXBMFYSA-N 1 2 425.555 -0.581 20 0 IBADLO C[C@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCN(C)CC1 ZINC000607190526 1072380279 /nfs/dbraw/zinc/38/02/79/1072380279.db2.gz QSRVLVZPRBSUFN-OAHLLOKOSA-N 1 2 425.555 -0.581 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000607281774 1072382555 /nfs/dbraw/zinc/38/25/55/1072382555.db2.gz IUIROZYNXIPVSV-HNNXBMFYSA-N 1 2 436.490 -0.326 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000607281774 1072382547 /nfs/dbraw/zinc/38/25/47/1072382547.db2.gz IUIROZYNXIPVSV-HNNXBMFYSA-N 1 2 436.490 -0.326 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000607281775 1072382650 /nfs/dbraw/zinc/38/26/50/1072382650.db2.gz IUIROZYNXIPVSV-OAHLLOKOSA-N 1 2 436.490 -0.326 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000607281775 1072382644 /nfs/dbraw/zinc/38/26/44/1072382644.db2.gz IUIROZYNXIPVSV-OAHLLOKOSA-N 1 2 436.490 -0.326 20 0 IBADLO CCC(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000607282403 1072382672 /nfs/dbraw/zinc/38/26/72/1072382672.db2.gz OPAMQHLBRIBOFT-AWEZNQCLSA-N 1 2 430.527 -0.090 20 0 IBADLO CCC(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000607282408 1072382433 /nfs/dbraw/zinc/38/24/33/1072382433.db2.gz OPAMQHLBRIBOFT-CQSZACIVSA-N 1 2 430.527 -0.090 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000607283123 1072382618 /nfs/dbraw/zinc/38/26/18/1072382618.db2.gz NZCFEWFUQXHWJJ-UHFFFAOYSA-N 1 2 441.554 -0.290 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000607283123 1072382614 /nfs/dbraw/zinc/38/26/14/1072382614.db2.gz NZCFEWFUQXHWJJ-UHFFFAOYSA-N 1 2 441.554 -0.290 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000607283855 1072383249 /nfs/dbraw/zinc/38/32/49/1072383249.db2.gz ATOKNYKSLOWCPU-KRWDZBQOSA-N 1 2 432.568 -0.123 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000607283858 1072383296 /nfs/dbraw/zinc/38/32/96/1072383296.db2.gz ATOKNYKSLOWCPU-QGZVFWFLSA-N 1 2 432.568 -0.123 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000607284127 1072383352 /nfs/dbraw/zinc/38/33/52/1072383352.db2.gz ZOEXUWHODXVILY-UHFFFAOYSA-N 1 2 436.490 -0.195 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000607284378 1072383161 /nfs/dbraw/zinc/38/31/61/1072383161.db2.gz FAULFUWBNJSILE-UHFFFAOYSA-N 1 2 426.499 -0.280 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@H+]3CCOCC3(C)C)CC2)cn1 ZINC000607377075 1072384978 /nfs/dbraw/zinc/38/49/78/1072384978.db2.gz NLADKQHPFUIVEK-UHFFFAOYSA-N 1 2 428.559 -0.017 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)cn1 ZINC000607377075 1072384970 /nfs/dbraw/zinc/38/49/70/1072384970.db2.gz NLADKQHPFUIVEK-UHFFFAOYSA-N 1 2 428.559 -0.017 20 0 IBADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000607379164 1072384859 /nfs/dbraw/zinc/38/48/59/1072384859.db2.gz NZZAQPNQHKLKND-CABCVRRESA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000607379165 1072384907 /nfs/dbraw/zinc/38/49/07/1072384907.db2.gz NZZAQPNQHKLKND-GJZGRUSLSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000607379166 1072384958 /nfs/dbraw/zinc/38/49/58/1072384958.db2.gz NZZAQPNQHKLKND-HUUCEWRRSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@H]([C@H](C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000607379167 1072385032 /nfs/dbraw/zinc/38/50/32/1072385032.db2.gz NZZAQPNQHKLKND-LSDHHAIUSA-N 1 2 428.559 -0.018 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000607616161 1072387354 /nfs/dbraw/zinc/38/73/54/1072387354.db2.gz CPZCFZJMWZVBFO-UHFFFAOYSA-N 1 2 429.524 -0.235 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000607616532 1072387337 /nfs/dbraw/zinc/38/73/37/1072387337.db2.gz UOCPKVDSSGUXBS-UHFFFAOYSA-N 1 2 430.512 -0.991 20 0 IBADLO CN1C(=O)c2ccc(S(=O)(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cc2C1=O ZINC000607616752 1072387926 /nfs/dbraw/zinc/38/79/26/1072387926.db2.gz XIKWFNACEIAPCL-UHFFFAOYSA-N 1 2 434.478 -0.413 20 0 IBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CC1)N1CCOCC1 ZINC000607652285 1072388049 /nfs/dbraw/zinc/38/80/49/1072388049.db2.gz QIMDROBUDFKMBS-UHFFFAOYSA-N 1 2 431.537 -0.483 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607715347 1072389488 /nfs/dbraw/zinc/38/94/88/1072389488.db2.gz GTARHJCSXBGTSR-GOSISDBHSA-N 1 2 440.566 -0.162 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607715347 1072389476 /nfs/dbraw/zinc/38/94/76/1072389476.db2.gz GTARHJCSXBGTSR-GOSISDBHSA-N 1 2 440.566 -0.162 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607715348 1072389583 /nfs/dbraw/zinc/38/95/83/1072389583.db2.gz GTARHJCSXBGTSR-SFHVURJKSA-N 1 2 440.566 -0.162 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607715348 1072389574 /nfs/dbraw/zinc/38/95/74/1072389574.db2.gz GTARHJCSXBGTSR-SFHVURJKSA-N 1 2 440.566 -0.162 20 0 IBADLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000607754202 1070812519 /nfs/dbraw/zinc/81/25/19/1070812519.db2.gz NTHKHWTYJCCTCE-FQEVSTJZSA-N 1 2 444.580 -0.237 20 0 IBADLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000607754203 1072390032 /nfs/dbraw/zinc/39/00/32/1072390032.db2.gz NTHKHWTYJCCTCE-HXUWFJFHSA-N 1 2 444.580 -0.237 20 0 IBADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(c3ncnc4c3cnn4C)CC1)CC2 ZINC000608096522 1072253778 /nfs/dbraw/zinc/25/37/78/1072253778.db2.gz CZDUONMNRHCIRL-UHFFFAOYSA-N 1 2 437.508 -0.353 20 0 IBADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(c3ncnc4c3cnn4C)CC1)CC2 ZINC000608096522 1072253769 /nfs/dbraw/zinc/25/37/69/1072253769.db2.gz CZDUONMNRHCIRL-UHFFFAOYSA-N 1 2 437.508 -0.353 20 0 IBADLO Cn1cc(S(=O)(=O)NCCn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cn1 ZINC000608102104 1072393965 /nfs/dbraw/zinc/39/39/65/1072393965.db2.gz FVLNPEULFUHHOE-KRWDZBQOSA-N 1 2 432.510 -0.041 20 0 IBADLO Cn1cc(S(=O)(=O)NCCn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cn1 ZINC000608102104 1072393960 /nfs/dbraw/zinc/39/39/60/1072393960.db2.gz FVLNPEULFUHHOE-KRWDZBQOSA-N 1 2 432.510 -0.041 20 0 IBADLO Cn1cc(S(=O)(=O)NCCn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cn1 ZINC000608102105 1072393991 /nfs/dbraw/zinc/39/39/91/1072393991.db2.gz FVLNPEULFUHHOE-QGZVFWFLSA-N 1 2 432.510 -0.041 20 0 IBADLO Cn1cc(S(=O)(=O)NCCn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cn1 ZINC000608102105 1072393980 /nfs/dbraw/zinc/39/39/80/1072393980.db2.gz FVLNPEULFUHHOE-QGZVFWFLSA-N 1 2 432.510 -0.041 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000608150331 1072394013 /nfs/dbraw/zinc/39/40/13/1072394013.db2.gz URPNJCVKKMKENA-INIZCTEOSA-N 1 2 426.539 -0.017 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000608150332 1072394088 /nfs/dbraw/zinc/39/40/88/1072394088.db2.gz URPNJCVKKMKENA-MRXNPFEDSA-N 1 2 426.539 -0.017 20 0 IBADLO COCCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000608274251 1072395483 /nfs/dbraw/zinc/39/54/83/1072395483.db2.gz QFXAUHYKBLQCGP-UHFFFAOYSA-N 1 2 446.552 -0.014 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nnnn1C1CC1 ZINC000608408369 1072396716 /nfs/dbraw/zinc/39/67/16/1072396716.db2.gz SLDGGBMQFVNWIW-UHFFFAOYSA-N 1 2 435.514 -0.646 20 0 IBADLO CC(=O)Nc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608453655 1072397138 /nfs/dbraw/zinc/39/71/38/1072397138.db2.gz WOFHDNIOYGBCOW-UHFFFAOYSA-N 1 2 438.554 -0.036 20 0 IBADLO COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000608553020 1072399300 /nfs/dbraw/zinc/39/93/00/1072399300.db2.gz JSGJKMPWXGLZCG-UHFFFAOYSA-N 1 2 428.511 -0.079 20 0 IBADLO CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000608839968 1070881151 /nfs/dbraw/zinc/88/11/51/1070881151.db2.gz LNNHFLQESRPGII-UHFFFAOYSA-N 1 2 426.558 -0.053 20 0 IBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609163985 1072609512 /nfs/dbraw/zinc/60/95/12/1072609512.db2.gz CLGLHEGGWPUOSC-KRWDZBQOSA-N 1 2 446.504 -0.363 20 0 IBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609163986 1072609588 /nfs/dbraw/zinc/60/95/88/1072609588.db2.gz CLGLHEGGWPUOSC-QGZVFWFLSA-N 1 2 446.504 -0.363 20 0 IBADLO CCOC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000609203893 1072632945 /nfs/dbraw/zinc/63/29/45/1072632945.db2.gz BGKDAZVWXKHLLX-KRWDZBQOSA-N 1 2 447.488 -0.104 20 0 IBADLO CCOC(=O)c1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000609203894 1072632937 /nfs/dbraw/zinc/63/29/37/1072632937.db2.gz BGKDAZVWXKHLLX-QGZVFWFLSA-N 1 2 447.488 -0.104 20 0 IBADLO COC(=O)C1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000609296078 1072883003 /nfs/dbraw/zinc/88/30/03/1072883003.db2.gz MDBAOPVXLQBLRA-UHFFFAOYSA-N 1 2 431.559 -0.462 20 0 IBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000609487495 1071455325 /nfs/dbraw/zinc/45/53/25/1071455325.db2.gz XLEHNDKJFFHMCZ-UHFFFAOYSA-N 1 2 427.508 -0.323 20 0 IBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000609535946 1072284585 /nfs/dbraw/zinc/28/45/85/1072284585.db2.gz UPGAYDDNHSPWTM-UHFFFAOYSA-N 1 2 427.479 -0.557 20 0 IBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000609537309 1072967855 /nfs/dbraw/zinc/96/78/55/1072967855.db2.gz DBHHMGBFGBAKNT-UHFFFAOYSA-N 1 2 439.494 -0.404 20 0 IBADLO COC(=O)CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000609824639 1072974694 /nfs/dbraw/zinc/97/46/94/1072974694.db2.gz DQTJIEJJEVNGDW-UHFFFAOYSA-N 1 2 434.540 -0.594 20 0 IBADLO Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000609836143 1072975739 /nfs/dbraw/zinc/97/57/39/1072975739.db2.gz OFWZCFZCECLRRU-AWEZNQCLSA-N 1 2 425.511 -0.296 20 0 IBADLO Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000609836144 1073331724 /nfs/dbraw/zinc/33/17/24/1073331724.db2.gz OFWZCFZCECLRRU-CQSZACIVSA-N 1 2 425.511 -0.296 20 0 IBADLO COC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000609845722 1072976267 /nfs/dbraw/zinc/97/62/67/1072976267.db2.gz MDIVFTPHAFEXIS-UHFFFAOYSA-N 1 2 439.538 -0.479 20 0 IBADLO COC(=O)C1CCN(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000610004379 1072981209 /nfs/dbraw/zinc/98/12/09/1072981209.db2.gz GXSIEWNLTMSSRM-UHFFFAOYSA-N 1 2 432.525 -0.153 20 0 IBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NC(=O)NCC(F)(F)F ZINC000610004543 1072981131 /nfs/dbraw/zinc/98/11/31/1072981131.db2.gz RJOXJEDTXBKPNT-UHFFFAOYSA-N 1 2 431.419 -0.177 20 0 IBADLO CSC[C@@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000610023460 1072982425 /nfs/dbraw/zinc/98/24/25/1072982425.db2.gz CISVJNGHYPNNLK-KRWDZBQOSA-N 1 2 431.584 -0.053 20 0 IBADLO CSC[C@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000610023461 1072982294 /nfs/dbraw/zinc/98/22/94/1072982294.db2.gz CISVJNGHYPNNLK-QGZVFWFLSA-N 1 2 431.584 -0.053 20 0 IBADLO COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000610133138 1072986434 /nfs/dbraw/zinc/98/64/34/1072986434.db2.gz FBMIWLGHLDXBKS-UHFFFAOYSA-N 1 2 441.554 -0.289 20 0 IBADLO CSC[C@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000610145206 1072860174 /nfs/dbraw/zinc/86/01/74/1072860174.db2.gz DZCXEJPLMPPYJJ-HNNXBMFYSA-N 1 2 431.584 -0.053 20 0 IBADLO CSC[C@@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000610145207 1072860116 /nfs/dbraw/zinc/86/01/16/1072860116.db2.gz DZCXEJPLMPPYJJ-OAHLLOKOSA-N 1 2 431.584 -0.053 20 0 IBADLO CCOC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000610146511 1072860082 /nfs/dbraw/zinc/86/00/82/1072860082.db2.gz ZRKLKIMAVPAGBQ-UHFFFAOYSA-N 1 2 431.559 -0.461 20 0 IBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610462624 1070949037 /nfs/dbraw/zinc/94/90/37/1070949037.db2.gz HIINFQOEBGZCAO-GOSISDBHSA-N 1 2 446.504 -0.220 20 0 IBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610462625 1070948918 /nfs/dbraw/zinc/94/89/18/1070948918.db2.gz HIINFQOEBGZCAO-SFHVURJKSA-N 1 2 446.504 -0.220 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610462771 1070948955 /nfs/dbraw/zinc/94/89/55/1070948955.db2.gz YLOOVMAMSMXEQF-KRWDZBQOSA-N 1 2 432.477 -0.149 20 0 IBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610462772 1070949062 /nfs/dbraw/zinc/94/90/62/1070949062.db2.gz YLOOVMAMSMXEQF-QGZVFWFLSA-N 1 2 432.477 -0.149 20 0 IBADLO CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000610536160 1070994232 /nfs/dbraw/zinc/99/42/32/1070994232.db2.gz GKVQMZJUSFWXCT-UHFFFAOYSA-N 1 2 446.504 -0.071 20 0 IBADLO COC(=O)c1csc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000610557029 1071007339 /nfs/dbraw/zinc/00/73/39/1071007339.db2.gz PNGZXZYXVPKKEO-HNNXBMFYSA-N 1 2 433.552 -0.466 20 0 IBADLO COC(=O)c1csc(S(=O)(=O)N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000610557030 1071007381 /nfs/dbraw/zinc/00/73/81/1071007381.db2.gz PNGZXZYXVPKKEO-OAHLLOKOSA-N 1 2 433.552 -0.466 20 0 IBADLO COC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000610595745 1071020482 /nfs/dbraw/zinc/02/04/82/1071020482.db2.gz RCAXUTQXZZYJPR-UHFFFAOYSA-N 1 2 431.559 -0.461 20 0 IBADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000610608983 1071021458 /nfs/dbraw/zinc/02/14/58/1071021458.db2.gz VPMRLGJRJLPICV-HNNXBMFYSA-N 1 2 432.477 -0.197 20 0 IBADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000610608984 1071021560 /nfs/dbraw/zinc/02/15/60/1071021560.db2.gz VPMRLGJRJLPICV-OAHLLOKOSA-N 1 2 432.477 -0.197 20 0 IBADLO COC(=O)[C@H](COC(C)C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000610848677 1071042902 /nfs/dbraw/zinc/04/29/02/1071042902.db2.gz JXCNHFHWEWEIKA-INIZCTEOSA-N 1 2 433.513 -0.090 20 0 IBADLO COC(=O)[C@@H](COC(C)C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000610848678 1071043042 /nfs/dbraw/zinc/04/30/42/1071043042.db2.gz JXCNHFHWEWEIKA-MRXNPFEDSA-N 1 2 433.513 -0.090 20 0 IBADLO COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000610873957 1071043433 /nfs/dbraw/zinc/04/34/33/1071043433.db2.gz SQOXAQRLNGQUAJ-UHFFFAOYSA-N 1 2 428.486 -0.138 20 0 IBADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000610952109 1071046281 /nfs/dbraw/zinc/04/62/81/1071046281.db2.gz RKLZAROBQVJCGW-INIZCTEOSA-N 1 2 437.497 -0.277 20 0 IBADLO CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000610952110 1071046111 /nfs/dbraw/zinc/04/61/11/1071046111.db2.gz RKLZAROBQVJCGW-MRXNPFEDSA-N 1 2 437.497 -0.277 20 0 IBADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000610952114 1071046207 /nfs/dbraw/zinc/04/62/07/1071046207.db2.gz SDERSTZQOZRWLD-HNNXBMFYSA-N 1 2 437.497 -0.277 20 0 IBADLO CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000610952115 1071046087 /nfs/dbraw/zinc/04/60/87/1071046087.db2.gz SDERSTZQOZRWLD-OAHLLOKOSA-N 1 2 437.497 -0.277 20 0 IBADLO COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000610966239 1071046270 /nfs/dbraw/zinc/04/62/70/1071046270.db2.gz SVRIBKDGQGHYDK-GOSISDBHSA-N 1 2 446.504 -0.215 20 0 IBADLO COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000610966240 1071046181 /nfs/dbraw/zinc/04/61/81/1071046181.db2.gz SVRIBKDGQGHYDK-SFHVURJKSA-N 1 2 446.504 -0.215 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000611216990 1073367012 /nfs/dbraw/zinc/36/70/12/1073367012.db2.gz ALWRBMOBQMAWAE-AWEZNQCLSA-N 1 2 425.467 -0.717 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000611216990 1073367004 /nfs/dbraw/zinc/36/70/04/1073367004.db2.gz ALWRBMOBQMAWAE-AWEZNQCLSA-N 1 2 425.467 -0.717 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000611218368 1073367083 /nfs/dbraw/zinc/36/70/83/1073367083.db2.gz IYIYBDRDIVLKPF-ZBEGNZNMSA-N 1 2 437.478 -0.065 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000611218368 1073367072 /nfs/dbraw/zinc/36/70/72/1073367072.db2.gz IYIYBDRDIVLKPF-ZBEGNZNMSA-N 1 2 437.478 -0.065 20 0 IBADLO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000611283411 1073367597 /nfs/dbraw/zinc/36/75/97/1073367597.db2.gz NXCGWOMKIAQDKF-UHFFFAOYSA-N 1 2 432.477 -0.461 20 0 IBADLO Cc1cc(C)n(CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000611630635 1071099296 /nfs/dbraw/zinc/09/92/96/1071099296.db2.gz FIBFIFHWCSAUGZ-UHFFFAOYSA-N 1 2 427.575 -0.291 20 0 IBADLO COc1ccccc1OCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000611631892 1071099053 /nfs/dbraw/zinc/09/90/53/1071099053.db2.gz WIJQHMGUHFBHFY-UHFFFAOYSA-N 1 2 441.554 -0.107 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000611687811 1071114372 /nfs/dbraw/zinc/11/43/72/1071114372.db2.gz OESGMJYKTOVPPP-UHFFFAOYSA-N 1 2 442.523 -0.753 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000611788050 1071202266 /nfs/dbraw/zinc/20/22/66/1071202266.db2.gz DXGGLZSLYRBNFI-UHFFFAOYSA-N 1 2 429.539 -0.280 20 0 IBADLO COC(=O)[C@@]1(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795525 1071206893 /nfs/dbraw/zinc/20/68/93/1071206893.db2.gz JLWAHFXXBFZCDJ-JOCHJYFZSA-N 1 2 443.504 -0.354 20 0 IBADLO COC(=O)[C@@]1(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795525 1071206885 /nfs/dbraw/zinc/20/68/85/1071206885.db2.gz JLWAHFXXBFZCDJ-JOCHJYFZSA-N 1 2 443.504 -0.354 20 0 IBADLO COC(=O)[C@]1(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611795528 1072958480 /nfs/dbraw/zinc/95/84/80/1072958480.db2.gz JLWAHFXXBFZCDJ-QFIPXVFZSA-N 1 2 443.504 -0.354 20 0 IBADLO COC(=O)[C@]1(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795528 1072958476 /nfs/dbraw/zinc/95/84/76/1072958476.db2.gz JLWAHFXXBFZCDJ-QFIPXVFZSA-N 1 2 443.504 -0.354 20 0 IBADLO CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(=O)(=O)c1cccnc1 ZINC000612169702 1071262031 /nfs/dbraw/zinc/26/20/31/1071262031.db2.gz XOKPCWNJHWZGPV-UHFFFAOYSA-N 1 2 430.494 -0.272 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000612231425 1071268052 /nfs/dbraw/zinc/26/80/52/1071268052.db2.gz UGPBZOZBEIDSBH-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000612231426 1071268179 /nfs/dbraw/zinc/26/81/79/1071268179.db2.gz UGPBZOZBEIDSBH-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000612359481 1071274347 /nfs/dbraw/zinc/27/43/47/1071274347.db2.gz PJWRYGNDTNTYID-KRWDZBQOSA-N 1 2 437.570 -0.538 20 0 IBADLO Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000612359497 1071274574 /nfs/dbraw/zinc/27/45/74/1071274574.db2.gz PJWRYGNDTNTYID-QGZVFWFLSA-N 1 2 437.570 -0.538 20 0 IBADLO COc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1O ZINC000612374289 1071275521 /nfs/dbraw/zinc/27/55/21/1071275521.db2.gz YHJPDQKPBDWIMP-UHFFFAOYSA-N 1 2 427.527 -0.280 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000612764573 1071289152 /nfs/dbraw/zinc/28/91/52/1071289152.db2.gz CQLJDBQXHMRNIT-UHFFFAOYSA-N 1 2 426.539 -0.106 20 0 IBADLO CN(C)C(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000613414947 1071307565 /nfs/dbraw/zinc/30/75/65/1071307565.db2.gz HEPNRKFRZAMJBQ-UHFFFAOYSA-N 1 2 429.565 -0.029 20 0 IBADLO COc1cccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613415510 1071308452 /nfs/dbraw/zinc/30/84/52/1071308452.db2.gz HUBMRESGARAHIR-KRWDZBQOSA-N 1 2 439.582 -0.190 20 0 IBADLO COc1cccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613415511 1071308179 /nfs/dbraw/zinc/30/81/79/1071308179.db2.gz HUBMRESGARAHIR-QGZVFWFLSA-N 1 2 439.582 -0.190 20 0 IBADLO Cc1cccc(OCCNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613415671 1071307768 /nfs/dbraw/zinc/30/77/68/1071307768.db2.gz LUUXDFWINLEKHN-UHFFFAOYSA-N 1 2 439.582 -0.400 20 0 IBADLO COc1ccccc1CNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613415691 1071307844 /nfs/dbraw/zinc/30/78/44/1071307844.db2.gz MBEYVNPZPNNMKT-KRWDZBQOSA-N 1 2 439.582 -0.190 20 0 IBADLO COc1ccccc1CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613415692 1071307708 /nfs/dbraw/zinc/30/77/08/1071307708.db2.gz MBEYVNPZPNNMKT-QGZVFWFLSA-N 1 2 439.582 -0.190 20 0 IBADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613415693 1071308419 /nfs/dbraw/zinc/30/84/19/1071308419.db2.gz MBFZNGJWJFSPCF-INIZCTEOSA-N 1 2 427.575 -0.526 20 0 IBADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613415701 1071308355 /nfs/dbraw/zinc/30/83/55/1071308355.db2.gz MBFZNGJWJFSPCF-MRXNPFEDSA-N 1 2 427.575 -0.526 20 0 IBADLO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613416051 1071307877 /nfs/dbraw/zinc/30/78/77/1071307877.db2.gz OJIIMMMPFJGZEC-INIZCTEOSA-N 1 2 427.546 -0.060 20 0 IBADLO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613416052 1071307737 /nfs/dbraw/zinc/30/77/37/1071307737.db2.gz OJIIMMMPFJGZEC-MRXNPFEDSA-N 1 2 427.546 -0.060 20 0 IBADLO COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000613416159 1071307498 /nfs/dbraw/zinc/30/74/98/1071307498.db2.gz ROMYMAMOOWLZEH-UHFFFAOYSA-N 1 2 441.554 -0.248 20 0 IBADLO COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000613417067 1072638501 /nfs/dbraw/zinc/63/85/01/1072638501.db2.gz DTFFLRPPMNYQIL-UHFFFAOYSA-N 1 2 425.555 -0.579 20 0 IBADLO COc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417071 1071308515 /nfs/dbraw/zinc/30/85/15/1071308515.db2.gz FAPXZZWFCLLEEH-UHFFFAOYSA-N 1 2 425.555 -0.579 20 0 IBADLO COc1ccccc1[C@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417073 1071308827 /nfs/dbraw/zinc/30/88/27/1071308827.db2.gz FIQRQHCSJYQSEA-KRWDZBQOSA-N 1 2 439.582 -0.018 20 0 IBADLO COc1ccccc1[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417074 1071309054 /nfs/dbraw/zinc/30/90/54/1071309054.db2.gz FIQRQHCSJYQSEA-QGZVFWFLSA-N 1 2 439.582 -0.018 20 0 IBADLO Cc1cc(=O)n2nc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)sc2n1 ZINC000613417092 1071308715 /nfs/dbraw/zinc/30/87/15/1071308715.db2.gz HOBWLJOHLWXMRJ-UHFFFAOYSA-N 1 2 427.556 -0.931 20 0 IBADLO COc1ccccc1CCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417107 1071309158 /nfs/dbraw/zinc/30/91/58/1071309158.db2.gz IZAJQEGLVRJNRM-UHFFFAOYSA-N 1 2 439.582 -0.536 20 0 IBADLO COc1cccc(CN(C)C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613417202 1071308284 /nfs/dbraw/zinc/30/82/84/1071308284.db2.gz QEITYEPOAUGDAC-UHFFFAOYSA-N 1 2 439.582 -0.237 20 0 IBADLO CC(=O)c1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613417216 1071308070 /nfs/dbraw/zinc/30/80/70/1071308070.db2.gz QMTXWHRBIQMYRT-IBGZPJMESA-N 1 2 440.566 -0.261 20 0 IBADLO CC(=O)c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613417218 1071308249 /nfs/dbraw/zinc/30/82/49/1071308249.db2.gz QMTXWHRBIQMYRT-LJQANCHMSA-N 1 2 440.566 -0.261 20 0 IBADLO COc1cccc(CNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000613417477 1071309098 /nfs/dbraw/zinc/30/90/98/1071309098.db2.gz YGUVPVRHVOXVAL-UHFFFAOYSA-N 1 2 425.555 -0.579 20 0 IBADLO COc1ccc(COC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000613417481 1071309203 /nfs/dbraw/zinc/30/92/03/1071309203.db2.gz YSBADIZFGVOFEG-IBGZPJMESA-N 1 2 442.582 -0.318 20 0 IBADLO COc1ccc(COC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000613417485 1071309030 /nfs/dbraw/zinc/30/90/30/1071309030.db2.gz YSBADIZFGVOFEG-LJQANCHMSA-N 1 2 442.582 -0.318 20 0 IBADLO NS(=O)(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000613426819 1071309128 /nfs/dbraw/zinc/30/91/28/1071309128.db2.gz PEEAHZZJJKBOPW-UHFFFAOYSA-N 1 2 435.550 -0.463 20 0 IBADLO CCCc1cc(=O)n2nc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)sc2n1 ZINC000613436935 1071309618 /nfs/dbraw/zinc/30/96/18/1071309618.db2.gz YKUYGEFCDRMHEC-UHFFFAOYSA-N 1 2 441.583 -0.282 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000613439860 1071310271 /nfs/dbraw/zinc/31/02/71/1071310271.db2.gz BPPBLDDXMMIUJW-UHFFFAOYSA-N 1 2 429.525 -0.718 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000613510811 1071311908 /nfs/dbraw/zinc/31/19/08/1071311908.db2.gz OFBMAHZLWJGQGV-UHFFFAOYSA-N 1 2 449.577 -0.605 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nc2n(C)c1=O ZINC000613534375 1071313843 /nfs/dbraw/zinc/31/38/43/1071313843.db2.gz HJQAWNFWUIUQBO-UHFFFAOYSA-N 1 2 428.493 -0.598 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nc2n(C)c1=O ZINC000613534375 1071313827 /nfs/dbraw/zinc/31/38/27/1071313827.db2.gz HJQAWNFWUIUQBO-UHFFFAOYSA-N 1 2 428.493 -0.598 20 0 IBADLO Cc1cc(N2CCN(C(=O)CN3CCN(S(N)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000613576553 1071321473 /nfs/dbraw/zinc/32/14/73/1071321473.db2.gz BASKGNKXVUYBRT-UHFFFAOYSA-N 1 2 425.559 -0.622 20 0 IBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)CC2)cc1 ZINC000613606740 1071324885 /nfs/dbraw/zinc/32/48/85/1071324885.db2.gz IKYQRIZIBTVPLJ-UHFFFAOYSA-N 1 2 439.582 -0.237 20 0 IBADLO COc1ccc2c(c1)ncc(C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)c2O ZINC000613622570 1071326101 /nfs/dbraw/zinc/32/61/01/1071326101.db2.gz TXXUVGXWMPKSQA-UHFFFAOYSA-N 1 2 449.533 -0.213 20 0 IBADLO Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1S(C)(=O)=O ZINC000613623191 1071326147 /nfs/dbraw/zinc/32/61/47/1071326147.db2.gz CKUTUBFULHQIJH-UHFFFAOYSA-N 1 2 444.579 -0.351 20 0 IBADLO CCCc1noc(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000613623223 1071326235 /nfs/dbraw/zinc/32/62/35/1071326235.db2.gz FERDVULWIULGOH-UHFFFAOYSA-N 1 2 428.559 -0.019 20 0 IBADLO Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613623278 1071326045 /nfs/dbraw/zinc/32/60/45/1071326045.db2.gz HDFWESJTKIYHBU-UHFFFAOYSA-N 1 2 435.554 -0.095 20 0 IBADLO Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613623398 1071326186 /nfs/dbraw/zinc/32/61/86/1071326186.db2.gz KMCUUKOYVPJZIE-UHFFFAOYSA-N 1 2 449.581 -0.085 20 0 IBADLO COc1ccc(COCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000613623670 1071326367 /nfs/dbraw/zinc/32/63/67/1071326367.db2.gz ZYQXNWUCZMDZPG-UHFFFAOYSA-N 1 2 426.539 -0.152 20 0 IBADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000613633692 1071327024 /nfs/dbraw/zinc/32/70/24/1071327024.db2.gz AXXIYEZYPMJYCE-INIZCTEOSA-N 1 2 444.579 -0.467 20 0 IBADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000613633692 1071327010 /nfs/dbraw/zinc/32/70/10/1071327010.db2.gz AXXIYEZYPMJYCE-INIZCTEOSA-N 1 2 444.579 -0.467 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000613633693 1071326719 /nfs/dbraw/zinc/32/67/19/1071326719.db2.gz AXXIYEZYPMJYCE-MRXNPFEDSA-N 1 2 444.579 -0.467 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000613633693 1071326704 /nfs/dbraw/zinc/32/67/04/1071326704.db2.gz AXXIYEZYPMJYCE-MRXNPFEDSA-N 1 2 444.579 -0.467 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633861 1071327436 /nfs/dbraw/zinc/32/74/36/1071327436.db2.gz PBAJRBTWVQUHCS-GUTXKFCHSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633861 1071327425 /nfs/dbraw/zinc/32/74/25/1071327425.db2.gz PBAJRBTWVQUHCS-GUTXKFCHSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633864 1071327595 /nfs/dbraw/zinc/32/75/95/1071327595.db2.gz PBAJRBTWVQUHCS-GZBFAFLISA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633864 1071327580 /nfs/dbraw/zinc/32/75/80/1071327580.db2.gz PBAJRBTWVQUHCS-GZBFAFLISA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613633865 1071327233 /nfs/dbraw/zinc/32/72/33/1071327233.db2.gz PBAJRBTWVQUHCS-KCQAQPDRSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613633865 1071327218 /nfs/dbraw/zinc/32/72/18/1071327218.db2.gz PBAJRBTWVQUHCS-KCQAQPDRSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613633866 1071327514 /nfs/dbraw/zinc/32/75/14/1071327514.db2.gz PBAJRBTWVQUHCS-YDHLFZDLSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613633866 1071327506 /nfs/dbraw/zinc/32/75/06/1071327506.db2.gz PBAJRBTWVQUHCS-YDHLFZDLSA-N 1 2 432.568 -0.087 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613635223 1071328130 /nfs/dbraw/zinc/32/81/30/1071328130.db2.gz UDBMDLRCYKMZTF-DZGCQCFKSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613635223 1071328113 /nfs/dbraw/zinc/32/81/13/1071328113.db2.gz UDBMDLRCYKMZTF-DZGCQCFKSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613635224 1071328002 /nfs/dbraw/zinc/32/80/02/1071328002.db2.gz UDBMDLRCYKMZTF-HIFRSBDPSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613635224 1071327987 /nfs/dbraw/zinc/32/79/87/1071327987.db2.gz UDBMDLRCYKMZTF-HIFRSBDPSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613635225 1071328068 /nfs/dbraw/zinc/32/80/68/1071328068.db2.gz UDBMDLRCYKMZTF-UKRRQHHQSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613635225 1071328052 /nfs/dbraw/zinc/32/80/52/1071328052.db2.gz UDBMDLRCYKMZTF-UKRRQHHQSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613635226 1071327905 /nfs/dbraw/zinc/32/79/05/1071327905.db2.gz UDBMDLRCYKMZTF-ZFWWWQNUSA-N 1 2 432.568 -0.605 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613635226 1071327889 /nfs/dbraw/zinc/32/78/89/1071327889.db2.gz UDBMDLRCYKMZTF-ZFWWWQNUSA-N 1 2 432.568 -0.605 20 0 IBADLO NC(=O)NCCCCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000613742878 1071389651 /nfs/dbraw/zinc/38/96/51/1071389651.db2.gz CKVXXTIRYDBZRJ-UHFFFAOYSA-N 1 2 426.543 -0.122 20 0 IBADLO Cc1occc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000613742887 1071389685 /nfs/dbraw/zinc/38/96/85/1071389685.db2.gz FFHBEICQJRDOMO-UHFFFAOYSA-N 1 2 435.506 -0.019 20 0 IBADLO COCCn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1=O ZINC000614461032 1071613115 /nfs/dbraw/zinc/61/31/15/1071613115.db2.gz AOUKPDOCFPJWOT-UHFFFAOYSA-N 1 2 449.533 -0.229 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000614605774 1072303294 /nfs/dbraw/zinc/30/32/94/1072303294.db2.gz LUXWSSYEYIGWOF-UHFFFAOYSA-N 1 2 432.568 -0.198 20 0 IBADLO Cn1cc(S(=O)(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000614615133 1072305080 /nfs/dbraw/zinc/30/50/80/1072305080.db2.gz ORIOVBXTKMMZEG-UHFFFAOYSA-N 1 2 449.577 -0.040 20 0 IBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000614957378 1072956045 /nfs/dbraw/zinc/95/60/45/1072956045.db2.gz ARHSSMCPGHPLSP-DLBZAZTESA-N 1 2 432.477 -0.462 20 0 IBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000614957383 1072955747 /nfs/dbraw/zinc/95/57/47/1072955747.db2.gz ARHSSMCPGHPLSP-IAGOWNOFSA-N 1 2 432.477 -0.462 20 0 IBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000614957388 1072955845 /nfs/dbraw/zinc/95/58/45/1072955845.db2.gz ARHSSMCPGHPLSP-IRXDYDNUSA-N 1 2 432.477 -0.462 20 0 IBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000614957392 1072955865 /nfs/dbraw/zinc/95/58/65/1072955865.db2.gz ARHSSMCPGHPLSP-SJORKVTESA-N 1 2 432.477 -0.462 20 0 IBADLO CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000615226548 1072754597 /nfs/dbraw/zinc/75/45/97/1072754597.db2.gz YVNFJTATKZCVLZ-UHFFFAOYSA-N 1 2 435.550 -0.300 20 0 IBADLO COC(=O)CC1(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS(=O)(=O)CC1 ZINC000615251814 1072987715 /nfs/dbraw/zinc/98/77/15/1072987715.db2.gz XJILXWDIJSOIDS-UHFFFAOYSA-N 1 2 443.526 -0.153 20 0 IBADLO COC(=O)CC1(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCS(=O)(=O)CC1 ZINC000615252457 1072987579 /nfs/dbraw/zinc/98/75/79/1072987579.db2.gz YFNJAUJWDMFLAI-UHFFFAOYSA-N 1 2 443.526 -0.153 20 0 IBADLO CCC[C@H](C)N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000615378561 1072989275 /nfs/dbraw/zinc/98/92/75/1072989275.db2.gz DKYXMTBLEFRCTD-DLBZAZTESA-N 1 2 429.587 -0.340 20 0 IBADLO CCC[C@@H](C)N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000615378564 1072989238 /nfs/dbraw/zinc/98/92/38/1072989238.db2.gz DKYXMTBLEFRCTD-IAGOWNOFSA-N 1 2 429.587 -0.340 20 0 IBADLO CCC[C@H](C)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000615378569 1072989447 /nfs/dbraw/zinc/98/94/47/1072989447.db2.gz DKYXMTBLEFRCTD-IRXDYDNUSA-N 1 2 429.587 -0.340 20 0 IBADLO CCC[C@@H](C)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000615378571 1073040370 /nfs/dbraw/zinc/04/03/70/1073040370.db2.gz DKYXMTBLEFRCTD-SJORKVTESA-N 1 2 429.587 -0.340 20 0 IBADLO CCCC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000615378721 1073040394 /nfs/dbraw/zinc/04/03/94/1073040394.db2.gz NNMPMNNPVBXGKG-KRWDZBQOSA-N 1 2 429.587 -0.339 20 0 IBADLO CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000615378723 1072989413 /nfs/dbraw/zinc/98/94/13/1072989413.db2.gz NNMPMNNPVBXGKG-QGZVFWFLSA-N 1 2 429.587 -0.339 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000615395267 1072989703 /nfs/dbraw/zinc/98/97/03/1072989703.db2.gz ILXUXOLDZYBMEI-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000615395267 1072989699 /nfs/dbraw/zinc/98/96/99/1072989699.db2.gz ILXUXOLDZYBMEI-CYBMUJFWSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000615395268 1072989736 /nfs/dbraw/zinc/98/97/36/1072989736.db2.gz ILXUXOLDZYBMEI-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000615395268 1072989735 /nfs/dbraw/zinc/98/97/35/1072989735.db2.gz ILXUXOLDZYBMEI-ZDUSSCGKSA-N 1 2 426.495 -0.371 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000615715247 1072992324 /nfs/dbraw/zinc/99/23/24/1072992324.db2.gz AEGXPNJRGDMNPO-UHFFFAOYSA-N 1 2 427.505 -0.271 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000615715247 1072992316 /nfs/dbraw/zinc/99/23/16/1072992316.db2.gz AEGXPNJRGDMNPO-UHFFFAOYSA-N 1 2 427.505 -0.271 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000615715478 1072992266 /nfs/dbraw/zinc/99/22/66/1072992266.db2.gz OQXLYVOSVMOTJR-UHFFFAOYSA-N 1 2 426.539 -0.105 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000615715478 1072992257 /nfs/dbraw/zinc/99/22/57/1072992257.db2.gz OQXLYVOSVMOTJR-UHFFFAOYSA-N 1 2 426.539 -0.105 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000615715608 1072992414 /nfs/dbraw/zinc/99/24/14/1072992414.db2.gz VTIYMJKQHRFYMR-UHFFFAOYSA-N 1 2 427.527 -0.680 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000615715608 1072992405 /nfs/dbraw/zinc/99/24/05/1072992405.db2.gz VTIYMJKQHRFYMR-UHFFFAOYSA-N 1 2 427.527 -0.680 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000615715875 1072992471 /nfs/dbraw/zinc/99/24/71/1072992471.db2.gz HCOCFXOUFDHFNZ-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000615715875 1072992463 /nfs/dbraw/zinc/99/24/63/1072992463.db2.gz HCOCFXOUFDHFNZ-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000615715915 1072992357 /nfs/dbraw/zinc/99/23/57/1072992357.db2.gz NFVQESTYRUMVIR-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000615715915 1072992351 /nfs/dbraw/zinc/99/23/51/1072992351.db2.gz NFVQESTYRUMVIR-UHFFFAOYSA-N 1 2 438.550 -0.009 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000615792759 1072993353 /nfs/dbraw/zinc/99/33/53/1072993353.db2.gz JPUKXEXWJLSZHU-UHFFFAOYSA-N 1 2 449.537 -0.622 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000615793622 1072992911 /nfs/dbraw/zinc/99/29/11/1072992911.db2.gz FVYXYMGDTVCRHR-UHFFFAOYSA-N 1 2 446.533 -0.104 20 0 IBADLO O=C(CNC(=O)c1cnc2ccccc2c1O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000615799179 1072992892 /nfs/dbraw/zinc/99/28/92/1072992892.db2.gz BBGNFJWVGXNQOL-UHFFFAOYSA-N 1 2 435.488 -0.014 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000615931276 1072995249 /nfs/dbraw/zinc/99/52/49/1072995249.db2.gz SUNBMDPGGFAYKS-UHFFFAOYSA-N 1 2 433.538 -0.212 20 0 IBADLO NS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000616008829 1072995387 /nfs/dbraw/zinc/99/53/87/1072995387.db2.gz ZLSCGYQVXRBLJM-UHFFFAOYSA-N 1 2 425.540 -0.193 20 0 IBADLO NC(=O)c1ccc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)nc1 ZINC000616088778 1072996370 /nfs/dbraw/zinc/99/63/70/1072996370.db2.gz MMDXCHDOIVLOGK-UHFFFAOYSA-N 1 2 439.524 -0.376 20 0 IBADLO COc1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)ccc1OCC(N)=O ZINC000616106272 1072996333 /nfs/dbraw/zinc/99/63/33/1072996333.db2.gz VFFPIWLVERTQAA-UHFFFAOYSA-N 1 2 443.508 -0.029 20 0 IBADLO O=C(CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1)N1CCCC1 ZINC000616134655 1072997058 /nfs/dbraw/zinc/99/70/58/1072997058.db2.gz IUUOCMKEVKPUNE-UHFFFAOYSA-N 1 2 430.557 -0.452 20 0 IBADLO O=C(NCCN1CCN(c2ncccn2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616134781 1072996356 /nfs/dbraw/zinc/99/63/56/1072996356.db2.gz CHQUCTLWRYMEOR-UHFFFAOYSA-N 1 2 440.556 -0.490 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134803 1072996269 /nfs/dbraw/zinc/99/62/69/1072996269.db2.gz DJIPTIYCLVOSCJ-GOSISDBHSA-N 1 2 432.573 -0.160 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134809 1072996341 /nfs/dbraw/zinc/99/63/41/1072996341.db2.gz DJIPTIYCLVOSCJ-SFHVURJKSA-N 1 2 432.573 -0.160 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000616134862 1072996494 /nfs/dbraw/zinc/99/64/94/1072996494.db2.gz HUXVHDLJZFWXPT-INIZCTEOSA-N 1 2 425.559 -0.431 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000616134867 1072996428 /nfs/dbraw/zinc/99/64/28/1072996428.db2.gz HUXVHDLJZFWXPT-MRXNPFEDSA-N 1 2 425.559 -0.431 20 0 IBADLO CCS(=O)(=O)NC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134996 1072996388 /nfs/dbraw/zinc/99/63/88/1072996388.db2.gz PRXORTXQJQMQRR-UHFFFAOYSA-N 1 2 425.559 -0.288 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cnc2n(C)c1=O ZINC000616312302 1072998707 /nfs/dbraw/zinc/99/87/07/1072998707.db2.gz ZKQJQZOBSAJVIE-UHFFFAOYSA-N 1 2 437.460 -0.118 20 0 IBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000616312696 1072998622 /nfs/dbraw/zinc/99/86/22/1072998622.db2.gz VKAQRGRQUKGWPW-HNNXBMFYSA-N 1 2 446.508 -0.566 20 0 IBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000616312697 1072998645 /nfs/dbraw/zinc/99/86/45/1072998645.db2.gz VKAQRGRQUKGWPW-OAHLLOKOSA-N 1 2 446.508 -0.566 20 0 IBADLO COc1ncccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616399081 1073000405 /nfs/dbraw/zinc/00/04/05/1073000405.db2.gz LNGUMLOEOROOCH-UHFFFAOYSA-N 1 2 448.505 -0.308 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)cnc2n(C)c1=O ZINC000616410985 1072999692 /nfs/dbraw/zinc/99/96/92/1072999692.db2.gz XXMKXZKIBGMEJL-UHFFFAOYSA-N 1 2 437.460 -0.249 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC000616466236 1073002075 /nfs/dbraw/zinc/00/20/75/1073002075.db2.gz XHWAOIFRUSHWRQ-UHFFFAOYSA-N 1 2 429.399 -0.193 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000616719831 1073003240 /nfs/dbraw/zinc/00/32/40/1073003240.db2.gz VXYSUSQJWPNXGY-UHFFFAOYSA-N 1 2 440.522 -0.181 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000616932772 1073006557 /nfs/dbraw/zinc/00/65/57/1073006557.db2.gz CMNSRZQCZWKINI-UHFFFAOYSA-N 1 2 437.522 -0.884 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000616934312 1073006519 /nfs/dbraw/zinc/00/65/19/1073006519.db2.gz INCZNUASAVBJOV-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000617484197 1073011175 /nfs/dbraw/zinc/01/11/75/1073011175.db2.gz ZZFDDJKPCPEWGR-UHFFFAOYSA-N 1 2 436.432 -0.019 20 0 IBADLO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000617484898 1073011106 /nfs/dbraw/zinc/01/11/06/1073011106.db2.gz CVYJUUJVEGHNCZ-UHFFFAOYSA-N 1 2 436.476 -0.061 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000617484947 1073011209 /nfs/dbraw/zinc/01/12/09/1073011209.db2.gz QPUDVDSNDLUGIC-UHFFFAOYSA-N 1 2 426.412 -0.111 20 0 IBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617520723 1073012442 /nfs/dbraw/zinc/01/24/42/1073012442.db2.gz MHAYCBNCQOTVKY-UHFFFAOYSA-N 1 2 431.493 -0.670 20 0 IBADLO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617525369 1073012552 /nfs/dbraw/zinc/01/25/52/1073012552.db2.gz NAYIFRFFHZFVBP-UHFFFAOYSA-N 1 2 444.536 -0.707 20 0 IBADLO CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617586145 1073013102 /nfs/dbraw/zinc/01/31/02/1073013102.db2.gz BFFDIUFWGZPWLK-UHFFFAOYSA-N 1 2 430.509 -0.162 20 0 IBADLO CC(C)(C)NS(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000618737081 1073020098 /nfs/dbraw/zinc/02/00/98/1073020098.db2.gz XPGBUPMEBXCREP-UHFFFAOYSA-N 1 2 447.583 -0.633 20 0 IBADLO COC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000619634493 1073024576 /nfs/dbraw/zinc/02/45/76/1073024576.db2.gz KAANDRZYMRTPLO-UHFFFAOYSA-N 1 2 449.493 -0.068 20 0 IBADLO CN(CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)S(C)(=O)=O ZINC000619795170 1073026491 /nfs/dbraw/zinc/02/64/91/1073026491.db2.gz PLBDCLABBOMUAB-UHFFFAOYSA-N 1 2 425.555 -0.230 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)CC1 ZINC000619806108 1073026382 /nfs/dbraw/zinc/02/63/82/1073026382.db2.gz COETXVZDPOICLH-UHFFFAOYSA-N 1 2 437.566 -0.087 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000619809873 1073026947 /nfs/dbraw/zinc/02/69/47/1073026947.db2.gz LMALJHZRTLWWHE-GOSISDBHSA-N 1 2 437.566 -0.087 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000619809874 1073026812 /nfs/dbraw/zinc/02/68/12/1073026812.db2.gz LMALJHZRTLWWHE-SFHVURJKSA-N 1 2 437.566 -0.087 20 0 IBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)Nc1ccccc1 ZINC000619982683 1073031064 /nfs/dbraw/zinc/03/10/64/1073031064.db2.gz DIBPRBPSYGACBC-IBGZPJMESA-N 1 2 443.548 -0.050 20 0 IBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)Nc1ccccc1 ZINC000619982684 1073031083 /nfs/dbraw/zinc/03/10/83/1073031083.db2.gz DIBPRBPSYGACBC-LJQANCHMSA-N 1 2 443.548 -0.050 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000620199182 1073032929 /nfs/dbraw/zinc/03/29/29/1073032929.db2.gz CNKJGFJGUXLDTP-UHFFFAOYSA-N 1 2 441.554 -0.670 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000620199182 1073032925 /nfs/dbraw/zinc/03/29/25/1073032925.db2.gz CNKJGFJGUXLDTP-UHFFFAOYSA-N 1 2 441.554 -0.670 20 0 IBADLO NC(=O)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000620237365 1073033109 /nfs/dbraw/zinc/03/31/09/1073033109.db2.gz XPWHISVUVARWEY-UHFFFAOYSA-N 1 2 447.517 -0.173 20 0 IBADLO CCCC[C@@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000620390951 1073033795 /nfs/dbraw/zinc/03/37/95/1073033795.db2.gz AETPPGCJHNXFDZ-OAHLLOKOSA-N 1 2 426.543 -0.123 20 0 IBADLO NS(=O)(=O)N1CCC(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000620476551 1073035142 /nfs/dbraw/zinc/03/51/42/1073035142.db2.gz BRHVNRSTLCHNKA-UHFFFAOYSA-N 1 2 426.539 -0.071 20 0 IBADLO COc1cccc(CC(=O)N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000620502891 1073035813 /nfs/dbraw/zinc/03/58/13/1073035813.db2.gz RQMHKCFZMPSPPZ-UHFFFAOYSA-N 1 2 440.504 -0.171 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000620750539 1073036865 /nfs/dbraw/zinc/03/68/65/1073036865.db2.gz SLGYZRVPQAWJIU-UHFFFAOYSA-N 1 2 426.466 -0.150 20 0 IBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000620844099 1073037379 /nfs/dbraw/zinc/03/73/79/1073037379.db2.gz GYDIKTAJZSVSIJ-UHFFFAOYSA-N 1 2 435.550 -0.132 20 0 IBADLO O=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000620844120 1073037406 /nfs/dbraw/zinc/03/74/06/1073037406.db2.gz LOXLEMQRSMFFSC-UHFFFAOYSA-N 1 2 429.521 -0.006 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)CC1 ZINC000620959354 1073037996 /nfs/dbraw/zinc/03/79/96/1073037996.db2.gz GSWOSQVPQMSDLQ-UHFFFAOYSA-N 1 2 436.582 -0.178 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621636597 1073042328 /nfs/dbraw/zinc/04/23/28/1073042328.db2.gz RQWOXTWYVBAYJO-SFHVURJKSA-N 1 2 438.550 -0.467 20 0 IBADLO CS(=O)(=O)NC1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000621637380 1073041554 /nfs/dbraw/zinc/04/15/54/1073041554.db2.gz WHCNEDCPFBNOTH-INIZCTEOSA-N 1 2 430.571 -0.465 20 0 IBADLO CS(=O)(=O)NC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000621637381 1073041628 /nfs/dbraw/zinc/04/16/28/1073041628.db2.gz WHCNEDCPFBNOTH-MRXNPFEDSA-N 1 2 430.571 -0.465 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637470 1073041802 /nfs/dbraw/zinc/04/18/02/1073041802.db2.gz XZJYNRUTLWPLSM-KRWDZBQOSA-N 1 2 449.552 -0.072 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637471 1073041667 /nfs/dbraw/zinc/04/16/67/1073041667.db2.gz XZJYNRUTLWPLSM-QGZVFWFLSA-N 1 2 449.552 -0.072 20 0 IBADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621637503 1073041612 /nfs/dbraw/zinc/04/16/12/1073041612.db2.gz JXGLWHKDKFRYSK-PMACEKPBSA-N 1 2 449.596 -0.288 20 0 IBADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621637504 1073041716 /nfs/dbraw/zinc/04/17/16/1073041716.db2.gz JXGLWHKDKFRYSK-UXHICEINSA-N 1 2 449.596 -0.288 20 0 IBADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621637505 1073041739 /nfs/dbraw/zinc/04/17/39/1073041739.db2.gz JXGLWHKDKFRYSK-VQTJNVASSA-N 1 2 449.596 -0.288 20 0 IBADLO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637558 1073041819 /nfs/dbraw/zinc/04/18/19/1073041819.db2.gz ZREQGAYCGPRHRZ-INIZCTEOSA-N 1 2 429.477 -0.142 20 0 IBADLO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637559 1073041652 /nfs/dbraw/zinc/04/16/52/1073041652.db2.gz ZREQGAYCGPRHRZ-MRXNPFEDSA-N 1 2 429.477 -0.142 20 0 IBADLO C[C@]1(c2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000621638590 1073041776 /nfs/dbraw/zinc/04/17/76/1073041776.db2.gz DAEGSRKMIQSBLL-LHSJRXKWSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@@]1(c2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000621638591 1073041534 /nfs/dbraw/zinc/04/15/34/1073041534.db2.gz DAEGSRKMIQSBLL-QKKBWIMNSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@]1(c2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000621638592 1073042260 /nfs/dbraw/zinc/04/22/60/1073042260.db2.gz DAEGSRKMIQSBLL-SPLOXXLWSA-N 1 2 429.477 -0.140 20 0 IBADLO C[C@@]1(c2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000621638593 1073042065 /nfs/dbraw/zinc/04/20/65/1073042065.db2.gz DAEGSRKMIQSBLL-SZNDQCEHSA-N 1 2 429.477 -0.140 20 0 IBADLO CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638692 1073042346 /nfs/dbraw/zinc/04/23/46/1073042346.db2.gz LVUQZDMUFWSPPQ-LJQANCHMSA-N 1 2 438.569 -0.052 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621639695 1073042272 /nfs/dbraw/zinc/04/22/72/1073042272.db2.gz OGFCLTPLGPTSMQ-INIZCTEOSA-N 1 2 430.571 -0.513 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621639696 1073042304 /nfs/dbraw/zinc/04/23/04/1073042304.db2.gz OGFCLTPLGPTSMQ-MRXNPFEDSA-N 1 2 430.571 -0.513 20 0 IBADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621639796 1073042110 /nfs/dbraw/zinc/04/21/10/1073042110.db2.gz OXTLAQWEWZMUBK-SFHVURJKSA-N 1 2 438.550 -0.597 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621639801 1073042193 /nfs/dbraw/zinc/04/21/93/1073042193.db2.gz TUFQHCXALXPSDP-KRWDZBQOSA-N 1 2 438.550 -0.266 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000621639805 1073042284 /nfs/dbraw/zinc/04/22/84/1073042284.db2.gz VRQJVIHDMTXAEZ-FQEVSTJZSA-N 1 2 443.548 -0.390 20 0 IBADLO CN(C)C(=O)COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621641015 1073042042 /nfs/dbraw/zinc/04/20/42/1073042042.db2.gz KSBYXMZBORTSQC-SFHVURJKSA-N 1 2 432.521 -0.050 20 0 IBADLO O=C(Nc1nncs1)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621641896 1073042230 /nfs/dbraw/zinc/04/22/30/1073042230.db2.gz BWYKDFHUNOWVMW-HNNXBMFYSA-N 1 2 436.538 -0.104 20 0 IBADLO O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621641897 1073042245 /nfs/dbraw/zinc/04/22/45/1073042245.db2.gz BWYKDFHUNOWVMW-OAHLLOKOSA-N 1 2 436.538 -0.104 20 0 IBADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621646718 1073042211 /nfs/dbraw/zinc/04/22/11/1073042211.db2.gz CYMPHJMZRSCJSG-NVXWUHKLSA-N 1 2 438.550 -0.047 20 0 IBADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621646719 1073042165 /nfs/dbraw/zinc/04/21/65/1073042165.db2.gz CYMPHJMZRSCJSG-RDJZCZTQSA-N 1 2 438.550 -0.047 20 0 IBADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621646720 1073042600 /nfs/dbraw/zinc/04/26/00/1073042600.db2.gz CYMPHJMZRSCJSG-WBVHZDCISA-N 1 2 438.550 -0.047 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621648061 1073042676 /nfs/dbraw/zinc/04/26/76/1073042676.db2.gz GPCKZPJGJWGQJR-FXAWDEMLSA-N 1 2 426.583 -0.509 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621648062 1073042776 /nfs/dbraw/zinc/04/27/76/1073042776.db2.gz GPCKZPJGJWGQJR-PXNSSMCTSA-N 1 2 426.583 -0.509 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621648063 1073042637 /nfs/dbraw/zinc/04/26/37/1073042637.db2.gz GPCKZPJGJWGQJR-XLIONFOSSA-N 1 2 426.583 -0.509 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000621704618 1073042761 /nfs/dbraw/zinc/04/27/61/1073042761.db2.gz BEGFGMLDLJOAQI-KRWDZBQOSA-N 1 2 435.616 -0.929 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000621704619 1073042728 /nfs/dbraw/zinc/04/27/28/1073042728.db2.gz BEGFGMLDLJOAQI-QGZVFWFLSA-N 1 2 435.616 -0.929 20 0 IBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCC1 ZINC000621843114 1073043599 /nfs/dbraw/zinc/04/35/99/1073043599.db2.gz VRVBKISMULSQQX-UHFFFAOYSA-N 1 2 438.554 -0.109 20 0 IBADLO Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000622164698 1073045031 /nfs/dbraw/zinc/04/50/31/1073045031.db2.gz KMJQMBAQPJXPAP-UHFFFAOYSA-N 1 2 435.550 -0.479 20 0 IBADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000622238043 1073045255 /nfs/dbraw/zinc/04/52/55/1073045255.db2.gz LVUATAOTEBTWGM-UHFFFAOYSA-N 1 2 439.538 -0.543 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000622480671 1073217005 /nfs/dbraw/zinc/21/70/05/1073217005.db2.gz WLYOGNBOEFCTPL-UHFFFAOYSA-N 1 2 437.522 -0.836 20 0 IBADLO COc1ccc2c(c1)OC[C@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000622609238 1073046619 /nfs/dbraw/zinc/04/66/19/1073046619.db2.gz DSYCSHWJZMDVOA-QGZVFWFLSA-N 1 2 438.550 -0.117 20 0 IBADLO CC(=O)NC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000622868813 1071054384 /nfs/dbraw/zinc/05/43/84/1071054384.db2.gz KGPKMAYZVXHEOX-UHFFFAOYSA-N 1 2 438.554 -0.157 20 0 IBADLO CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000622967236 1073049255 /nfs/dbraw/zinc/04/92/55/1073049255.db2.gz XVWIPULBUHSIMW-UHFFFAOYSA-N 1 2 439.538 -0.542 20 0 IBADLO Cc1cc(NC(=O)CN(C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)no1 ZINC000623113600 1073049637 /nfs/dbraw/zinc/04/96/37/1073049637.db2.gz YSHIAPDBXNAAAU-UHFFFAOYSA-N 1 2 427.469 -0.121 20 0 IBADLO CN(CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000623154178 1073050822 /nfs/dbraw/zinc/05/08/22/1073050822.db2.gz KIMSFUNVNQVKAX-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623160333 1072149830 /nfs/dbraw/zinc/14/98/30/1072149830.db2.gz CJZQEAFZZRALST-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623160334 1073050170 /nfs/dbraw/zinc/05/01/70/1073050170.db2.gz CJZQEAFZZRALST-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000623172264 1073051107 /nfs/dbraw/zinc/05/11/07/1073051107.db2.gz NZIRVTYQNMVDAT-UHFFFAOYSA-N 1 2 441.540 -0.155 20 0 IBADLO CN(C)CCn1ccc(=NC(=O)c2cccc(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)n2)[nH]1 ZINC000623199022 1073051218 /nfs/dbraw/zinc/05/12/18/1073051218.db2.gz MRLOMRPIJIZLIU-UHFFFAOYSA-N 1 2 439.524 -0.054 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)COCC1CC1 ZINC000623538232 1073053662 /nfs/dbraw/zinc/05/36/62/1073053662.db2.gz DCXMMUAPUOEURK-KRWDZBQOSA-N 1 2 441.554 -0.380 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)COCC1CC1 ZINC000623538233 1073053726 /nfs/dbraw/zinc/05/37/26/1073053726.db2.gz DCXMMUAPUOEURK-QGZVFWFLSA-N 1 2 441.554 -0.380 20 0 IBADLO NS(=O)(=O)c1ccc(OCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000624247772 1073068141 /nfs/dbraw/zinc/06/81/41/1073068141.db2.gz FIHCRQFUTBJKEX-UHFFFAOYSA-N 1 2 447.517 -0.037 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)c(=O)n2C ZINC000629994716 1072589799 /nfs/dbraw/zinc/58/97/99/1072589799.db2.gz QKPWROYGZRCOJY-INIZCTEOSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)c(=O)n2C ZINC000629994716 1072589783 /nfs/dbraw/zinc/58/97/83/1072589783.db2.gz QKPWROYGZRCOJY-INIZCTEOSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)c(=O)n2C ZINC000629994723 1072589844 /nfs/dbraw/zinc/58/98/44/1072589844.db2.gz QKPWROYGZRCOJY-MRXNPFEDSA-N 1 2 426.477 -0.549 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)c(=O)n2C ZINC000629994723 1072589834 /nfs/dbraw/zinc/58/98/34/1072589834.db2.gz QKPWROYGZRCOJY-MRXNPFEDSA-N 1 2 426.477 -0.549 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 ZINC000630019608 1072589760 /nfs/dbraw/zinc/58/97/60/1072589760.db2.gz VYWZRTNPTXMERF-HNNXBMFYSA-N 1 2 432.550 -0.047 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 ZINC000630019612 1072589596 /nfs/dbraw/zinc/58/95/96/1072589596.db2.gz VYWZRTNPTXMERF-OAHLLOKOSA-N 1 2 432.550 -0.047 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000635529391 1072596457 /nfs/dbraw/zinc/59/64/57/1072596457.db2.gz AGDABCPYYAUSCR-UHFFFAOYSA-N 1 2 437.507 -0.478 20 0 IBADLO Cn1c2ncn(CC(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000641888113 1072599970 /nfs/dbraw/zinc/59/99/70/1072599970.db2.gz GPIYOBJPLUJIAS-UHFFFAOYSA-N 1 2 439.476 -0.540 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000641914776 1072600606 /nfs/dbraw/zinc/60/06/06/1072600606.db2.gz GFYMWWIAWGVFBS-KRWDZBQOSA-N 1 2 436.534 -0.256 20 0 IBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000641914777 1072600436 /nfs/dbraw/zinc/60/04/36/1072600436.db2.gz GFYMWWIAWGVFBS-QGZVFWFLSA-N 1 2 436.534 -0.256 20 0 IBADLO COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(OC)n1 ZINC000641933377 1072600414 /nfs/dbraw/zinc/60/04/14/1072600414.db2.gz LORZFGMJWOMKIA-UHFFFAOYSA-N 1 2 442.542 -0.582 20 0 IBADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000642086663 1072604980 /nfs/dbraw/zinc/60/49/80/1072604980.db2.gz DFFKZAMPNYWNMA-UHFFFAOYSA-N 1 2 430.509 -0.106 20 0 IBADLO CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000642096352 1072605786 /nfs/dbraw/zinc/60/57/86/1072605786.db2.gz ALKFHHANOFBTIA-UHFFFAOYSA-N 1 2 425.555 -0.119 20 0 IBADLO CN1CCN(S(=O)(=O)N2CCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)CC1 ZINC000642186770 1072608564 /nfs/dbraw/zinc/60/85/64/1072608564.db2.gz YHFPTLWKTZJTCS-UHFFFAOYSA-N 1 2 435.554 -0.352 20 0 IBADLO COCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000642333134 1072612173 /nfs/dbraw/zinc/61/21/73/1072612173.db2.gz BVCULJYGDCTGNY-UHFFFAOYSA-N 1 2 446.595 -0.326 20 0 IBADLO Cn1c(=O)cc(C[NH+](CCOCC(F)(F)F)Cc2cc(=O)n(C)c(=O)n2C)n(C)c1=O ZINC000642348619 1072612040 /nfs/dbraw/zinc/61/20/40/1072612040.db2.gz PLQHZUDSNRKGQF-UHFFFAOYSA-N 1 2 447.414 -0.938 20 0 IBADLO Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000642356978 1072613229 /nfs/dbraw/zinc/61/32/29/1072613229.db2.gz GLDZBTSBVLOZNS-KRWDZBQOSA-N 1 2 437.566 -0.250 20 0 IBADLO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000642356979 1072613289 /nfs/dbraw/zinc/61/32/89/1072613289.db2.gz GLDZBTSBVLOZNS-QGZVFWFLSA-N 1 2 437.566 -0.250 20 0 IBADLO C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000642376622 1072759267 /nfs/dbraw/zinc/75/92/67/1072759267.db2.gz UHPYCMDTELHTAU-HOTGVXAUSA-N 1 2 447.583 -0.523 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000642376623 1072759226 /nfs/dbraw/zinc/75/92/26/1072759226.db2.gz UHPYCMDTELHTAU-HZPDHXFCSA-N 1 2 447.583 -0.523 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000642376624 1072613681 /nfs/dbraw/zinc/61/36/81/1072613681.db2.gz UHPYCMDTELHTAU-IYBDPMFKSA-N 1 2 447.583 -0.523 20 0 IBADLO COc1ccccc1CN(C)C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000642526915 1072616081 /nfs/dbraw/zinc/61/60/81/1072616081.db2.gz PAXJSAXRWWLCTD-UHFFFAOYSA-N 1 2 439.582 -0.237 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)CC1)N1CCOCC1 ZINC000642526963 1072616165 /nfs/dbraw/zinc/61/61/65/1072616165.db2.gz BTNKLDXRARRSGM-UHFFFAOYSA-N 1 2 435.491 -0.441 20 0 IBADLO O=C(CN1CCN(C(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)CC1)N1CCOCC1 ZINC000642526963 1072616156 /nfs/dbraw/zinc/61/61/56/1072616156.db2.gz BTNKLDXRARRSGM-UHFFFAOYSA-N 1 2 435.491 -0.441 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[NH+]1CCOCC1 ZINC000642528722 1072615970 /nfs/dbraw/zinc/61/59/70/1072615970.db2.gz ZMRODYPTHHEWBO-UHFFFAOYSA-N 1 2 439.582 -0.317 20 0 IBADLO COc1cccc(COCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000642566991 1071423342 /nfs/dbraw/zinc/42/33/42/1071423342.db2.gz PSKMLEQNIYLKFC-UHFFFAOYSA-N 1 2 426.539 -0.152 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cn1 ZINC000642581420 1072617394 /nfs/dbraw/zinc/61/73/94/1072617394.db2.gz SXWDLVNLVZWMSE-UHFFFAOYSA-N 1 2 434.522 -0.082 20 0 IBADLO O=C(CCCN1C(=O)CCC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000642588209 1072617934 /nfs/dbraw/zinc/61/79/34/1072617934.db2.gz RYIDLZREJCRGJC-UHFFFAOYSA-N 1 2 437.522 -0.421 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000642629710 1073197374 /nfs/dbraw/zinc/19/73/74/1073197374.db2.gz BVWXKEDPYVWGLP-GOSISDBHSA-N 1 2 428.497 -0.572 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000642629710 1073197369 /nfs/dbraw/zinc/19/73/69/1073197369.db2.gz BVWXKEDPYVWGLP-GOSISDBHSA-N 1 2 428.497 -0.572 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000642629711 1073197523 /nfs/dbraw/zinc/19/75/23/1073197523.db2.gz BVWXKEDPYVWGLP-SFHVURJKSA-N 1 2 428.497 -0.572 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000642629711 1073197520 /nfs/dbraw/zinc/19/75/20/1073197520.db2.gz BVWXKEDPYVWGLP-SFHVURJKSA-N 1 2 428.497 -0.572 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000642643634 1072618460 /nfs/dbraw/zinc/61/84/60/1072618460.db2.gz KTIPCULUKJSRBS-MSOLQXFVSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000642643634 1072618452 /nfs/dbraw/zinc/61/84/52/1072618452.db2.gz KTIPCULUKJSRBS-MSOLQXFVSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000642643635 1072618588 /nfs/dbraw/zinc/61/85/88/1072618588.db2.gz KTIPCULUKJSRBS-QZTJIDSGSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000642643635 1072618584 /nfs/dbraw/zinc/61/85/84/1072618584.db2.gz KTIPCULUKJSRBS-QZTJIDSGSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000642643636 1072618641 /nfs/dbraw/zinc/61/86/41/1072618641.db2.gz KTIPCULUKJSRBS-ROUUACIJSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000642643636 1072618635 /nfs/dbraw/zinc/61/86/35/1072618635.db2.gz KTIPCULUKJSRBS-ROUUACIJSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000642643637 1072618567 /nfs/dbraw/zinc/61/85/67/1072618567.db2.gz KTIPCULUKJSRBS-ZWKOTPCHSA-N 1 2 426.583 -0.444 20 0 IBADLO O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000642643637 1072618564 /nfs/dbraw/zinc/61/85/64/1072618564.db2.gz KTIPCULUKJSRBS-ZWKOTPCHSA-N 1 2 426.583 -0.444 20 0 IBADLO COCC(=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000642650491 1072618499 /nfs/dbraw/zinc/61/84/99/1072618499.db2.gz UGVLYNRKJKEQLD-UHFFFAOYSA-N 1 2 427.523 -0.123 20 0 IBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000642661175 1072619285 /nfs/dbraw/zinc/61/92/85/1072619285.db2.gz HKHXTLANZIJSQH-UHFFFAOYSA-N 1 2 428.497 -0.441 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000642784361 1072620344 /nfs/dbraw/zinc/62/03/44/1072620344.db2.gz ZSFMLZCYYITQPO-UHFFFAOYSA-N 1 2 437.478 -0.333 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000642955691 1072622026 /nfs/dbraw/zinc/62/20/26/1072622026.db2.gz MFXNNVADDSMBMM-UHFFFAOYSA-N 1 2 431.493 -0.622 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000643005381 1072623127 /nfs/dbraw/zinc/62/31/27/1072623127.db2.gz WWSMAGZSWSOHMY-UHFFFAOYSA-N 1 2 438.488 -0.046 20 0 IBADLO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000643012704 1072623049 /nfs/dbraw/zinc/62/30/49/1072623049.db2.gz YUFIDCASMYSWBC-UHFFFAOYSA-N 1 2 444.536 -0.707 20 0 IBADLO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000643039743 1072623719 /nfs/dbraw/zinc/62/37/19/1072623719.db2.gz WCIBKYQJYCVFOB-UHFFFAOYSA-N 1 2 425.511 -0.932 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCCNS(C)(=O)=O)CC1 ZINC000643045352 1071328381 /nfs/dbraw/zinc/32/83/81/1071328381.db2.gz FJFQBMWUYZLAMN-UHFFFAOYSA-N 1 2 425.511 -0.932 20 0 IBADLO CN(CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000643056990 1072624343 /nfs/dbraw/zinc/62/43/43/1072624343.db2.gz QOSGRJNNFIMWLQ-UHFFFAOYSA-N 1 2 439.538 -0.590 20 0 IBADLO CC(C)CS(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000643181659 1072626173 /nfs/dbraw/zinc/62/61/73/1072626173.db2.gz MOMKITZBWWOURZ-UHFFFAOYSA-N 1 2 432.568 -0.280 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000645657196 1072638652 /nfs/dbraw/zinc/63/86/52/1072638652.db2.gz SYGBBQGPBZQFBR-HNNXBMFYSA-N 1 2 436.534 -0.094 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000645657197 1072638488 /nfs/dbraw/zinc/63/84/88/1072638488.db2.gz SYGBBQGPBZQFBR-OAHLLOKOSA-N 1 2 436.534 -0.094 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000646120127 1072640522 /nfs/dbraw/zinc/64/05/22/1072640522.db2.gz YDJREPRIKXRMMV-INIZCTEOSA-N 1 2 425.555 -0.615 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000646120127 1072640519 /nfs/dbraw/zinc/64/05/19/1072640519.db2.gz YDJREPRIKXRMMV-INIZCTEOSA-N 1 2 425.555 -0.615 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000646120128 1072230790 /nfs/dbraw/zinc/23/07/90/1072230790.db2.gz YDJREPRIKXRMMV-MRXNPFEDSA-N 1 2 425.555 -0.615 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000646120128 1072230781 /nfs/dbraw/zinc/23/07/81/1072230781.db2.gz YDJREPRIKXRMMV-MRXNPFEDSA-N 1 2 425.555 -0.615 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000646733095 1072645560 /nfs/dbraw/zinc/64/55/60/1072645560.db2.gz LDDXMTGBYBUWPZ-HNNXBMFYSA-N 1 2 433.490 -0.056 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000646733095 1072645555 /nfs/dbraw/zinc/64/55/55/1072645555.db2.gz LDDXMTGBYBUWPZ-HNNXBMFYSA-N 1 2 433.490 -0.056 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000646733096 1072645447 /nfs/dbraw/zinc/64/54/47/1072645447.db2.gz LDDXMTGBYBUWPZ-OAHLLOKOSA-N 1 2 433.490 -0.056 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000646733096 1072645440 /nfs/dbraw/zinc/64/54/40/1072645440.db2.gz LDDXMTGBYBUWPZ-OAHLLOKOSA-N 1 2 433.490 -0.056 20 0 IBADLO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000646761998 1072646007 /nfs/dbraw/zinc/64/60/07/1072646007.db2.gz QNCMCWQHCXMXCS-KRWDZBQOSA-N 1 2 426.539 -0.071 20 0 IBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000646761999 1072646217 /nfs/dbraw/zinc/64/62/17/1072646217.db2.gz QNCMCWQHCXMXCS-QGZVFWFLSA-N 1 2 426.539 -0.071 20 0 IBADLO Cc1nc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C(=O)NCCO)n1C ZINC000647620254 1071318113 /nfs/dbraw/zinc/31/81/13/1071318113.db2.gz AZIPOUQGNQXFGP-HNNXBMFYSA-N 1 2 436.513 -0.898 20 0 IBADLO Cc1nc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(C(=O)NCCO)n1C ZINC000647620255 1072647475 /nfs/dbraw/zinc/64/74/75/1072647475.db2.gz AZIPOUQGNQXFGP-OAHLLOKOSA-N 1 2 436.513 -0.898 20 0 IBADLO CNS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000647653584 1072648197 /nfs/dbraw/zinc/64/81/97/1072648197.db2.gz NVXWHKYDXISGMJ-AWEZNQCLSA-N 1 2 425.511 -0.318 20 0 IBADLO CNS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000647653585 1072648089 /nfs/dbraw/zinc/64/80/89/1072648089.db2.gz NVXWHKYDXISGMJ-CQSZACIVSA-N 1 2 425.511 -0.318 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000647764941 1071480601 /nfs/dbraw/zinc/48/06/01/1071480601.db2.gz BURIGMCDJGTYKL-MOPGFXCFSA-N 1 2 440.610 -0.167 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000647764942 1071480809 /nfs/dbraw/zinc/48/08/09/1071480809.db2.gz BURIGMCDJGTYKL-OALUTQOASA-N 1 2 440.610 -0.167 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000647764943 1071480633 /nfs/dbraw/zinc/48/06/33/1071480633.db2.gz BURIGMCDJGTYKL-RBUKOAKNSA-N 1 2 440.610 -0.167 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000647764944 1071480529 /nfs/dbraw/zinc/48/05/29/1071480529.db2.gz BURIGMCDJGTYKL-RTBURBONSA-N 1 2 440.610 -0.167 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000648068477 1072649659 /nfs/dbraw/zinc/64/96/59/1072649659.db2.gz NZMLPVQROAWLIJ-UHFFFAOYSA-N 1 2 435.594 -0.131 20 0 IBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[NH+](CCO)CC2)c1OC ZINC000648102962 1072650342 /nfs/dbraw/zinc/65/03/42/1072650342.db2.gz FMUQCXQYXXZDDM-UHFFFAOYSA-N 1 2 443.522 -0.525 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000648102992 1072650334 /nfs/dbraw/zinc/65/03/34/1072650334.db2.gz KUECGBSAAPIJPU-UHFFFAOYSA-N 1 2 426.539 -0.476 20 0 IBADLO Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[NH+](CCO)CC2)c(C)c1 ZINC000648103013 1072650425 /nfs/dbraw/zinc/65/04/25/1072650425.db2.gz OZPYDIPGZOTOJD-MSOLQXFVSA-N 1 2 425.551 -0.128 20 0 IBADLO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[NH+](CCO)CC2)c(C)c1 ZINC000648103014 1072650450 /nfs/dbraw/zinc/65/04/50/1072650450.db2.gz OZPYDIPGZOTOJD-ROUUACIJSA-N 1 2 425.551 -0.128 20 0 IBADLO CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000669624830 1072283747 /nfs/dbraw/zinc/28/37/47/1072283747.db2.gz NDRWWHXMPDVTKV-UHFFFAOYSA-N 1 2 427.552 -0.213 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000669732213 1072360573 /nfs/dbraw/zinc/36/05/73/1072360573.db2.gz VLISWSJLNOCSSY-KRWDZBQOSA-N 1 2 431.493 -0.576 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000669732214 1072360518 /nfs/dbraw/zinc/36/05/18/1072360518.db2.gz VLISWSJLNOCSSY-QGZVFWFLSA-N 1 2 431.493 -0.576 20 0 IBADLO CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000669890821 1072530761 /nfs/dbraw/zinc/53/07/61/1072530761.db2.gz JVUUAQNDBDHYEN-UHFFFAOYSA-N 1 2 439.542 -0.775 20 0 IBADLO CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000669890821 1072530750 /nfs/dbraw/zinc/53/07/50/1072530750.db2.gz JVUUAQNDBDHYEN-UHFFFAOYSA-N 1 2 439.542 -0.775 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000670092464 1072643829 /nfs/dbraw/zinc/64/38/29/1072643829.db2.gz SLQBMEVZGZGWDH-BBRMVZONSA-N 1 2 440.522 -0.800 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000670092464 1072643822 /nfs/dbraw/zinc/64/38/22/1072643822.db2.gz SLQBMEVZGZGWDH-BBRMVZONSA-N 1 2 440.522 -0.800 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000670092465 1072643620 /nfs/dbraw/zinc/64/36/20/1072643620.db2.gz SLQBMEVZGZGWDH-XJKSGUPXSA-N 1 2 440.522 -0.800 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000670092465 1072643613 /nfs/dbraw/zinc/64/36/13/1072643613.db2.gz SLQBMEVZGZGWDH-XJKSGUPXSA-N 1 2 440.522 -0.800 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000670228560 1072718049 /nfs/dbraw/zinc/71/80/49/1072718049.db2.gz HHEWYQIVTVCQQF-UHFFFAOYSA-N 1 2 437.566 -0.041 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670229138 1072717035 /nfs/dbraw/zinc/71/70/35/1072717035.db2.gz VLGBNZRXEJMLHX-UHFFFAOYSA-N 1 2 437.522 -0.791 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1OC ZINC000670406514 1073225371 /nfs/dbraw/zinc/22/53/71/1073225371.db2.gz UMXNVKTYLWROGH-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1OC ZINC000670406514 1073225367 /nfs/dbraw/zinc/22/53/67/1073225367.db2.gz UMXNVKTYLWROGH-HNNXBMFYSA-N 1 2 426.539 -0.122 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1OC ZINC000670406515 1072787751 /nfs/dbraw/zinc/78/77/51/1072787751.db2.gz UMXNVKTYLWROGH-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1OC ZINC000670406515 1072787747 /nfs/dbraw/zinc/78/77/47/1072787747.db2.gz UMXNVKTYLWROGH-OAHLLOKOSA-N 1 2 426.539 -0.122 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000670424598 1072796730 /nfs/dbraw/zinc/79/67/30/1072796730.db2.gz ARJFEYBXZDDCRX-MRXNPFEDSA-N 1 2 446.533 -0.078 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@H](O)C3)cc2)CC1 ZINC000670433616 1072800335 /nfs/dbraw/zinc/80/03/35/1072800335.db2.gz GAIAKZNATBQGPA-FQEVSTJZSA-N 1 2 446.548 -0.129 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@@H](O)C3)cc2)CC1 ZINC000670433617 1072800587 /nfs/dbraw/zinc/80/05/87/1072800587.db2.gz GAIAKZNATBQGPA-HXUWFJFHSA-N 1 2 446.548 -0.129 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000670453741 1072807897 /nfs/dbraw/zinc/80/78/97/1072807897.db2.gz GGZYFHAFQXVDRD-UHFFFAOYSA-N 1 2 430.494 -0.427 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000670479287 1072823543 /nfs/dbraw/zinc/82/35/43/1072823543.db2.gz ZELGALHVAQDWHU-UHFFFAOYSA-N 1 2 449.537 -0.947 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670533016 1072849869 /nfs/dbraw/zinc/84/98/69/1072849869.db2.gz NVDISLFAOMQJPL-KRWDZBQOSA-N 1 2 426.477 -0.660 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670533016 1072849858 /nfs/dbraw/zinc/84/98/58/1072849858.db2.gz NVDISLFAOMQJPL-KRWDZBQOSA-N 1 2 426.477 -0.660 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670533017 1072850441 /nfs/dbraw/zinc/85/04/41/1072850441.db2.gz NVDISLFAOMQJPL-QGZVFWFLSA-N 1 2 426.477 -0.660 20 0 IBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670533017 1072850426 /nfs/dbraw/zinc/85/04/26/1072850426.db2.gz NVDISLFAOMQJPL-QGZVFWFLSA-N 1 2 426.477 -0.660 20 0 IBADLO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000670549717 1072861110 /nfs/dbraw/zinc/86/11/10/1072861110.db2.gz DBDAEXLCINNEKB-INIZCTEOSA-N 1 2 446.533 -0.078 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000670549718 1072861153 /nfs/dbraw/zinc/86/11/53/1072861153.db2.gz DBDAEXLCINNEKB-MRXNPFEDSA-N 1 2 446.533 -0.078 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635870 1072929570 /nfs/dbraw/zinc/92/95/70/1072929570.db2.gz NBIWUPMNWBERQQ-UHFFFAOYSA-N 1 2 442.524 -0.079 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670640479 1072934398 /nfs/dbraw/zinc/93/43/98/1072934398.db2.gz BVGYPRDYZGGMBN-INIZCTEOSA-N 1 2 435.525 -0.320 20 0 IBADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670640480 1072934208 /nfs/dbraw/zinc/93/42/08/1072934208.db2.gz BVGYPRDYZGGMBN-MRXNPFEDSA-N 1 2 435.525 -0.320 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000670678887 1072958385 /nfs/dbraw/zinc/95/83/85/1072958385.db2.gz CUWOHMGBRBNONF-UHFFFAOYSA-N 1 2 432.521 -0.158 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC000670740212 1072981907 /nfs/dbraw/zinc/98/19/07/1072981907.db2.gz DIWIEYWJRIFRHQ-UHFFFAOYSA-N 1 2 426.539 -0.467 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000670740273 1072981116 /nfs/dbraw/zinc/98/11/16/1072981116.db2.gz GJCGLBQOPPCSJU-GOSISDBHSA-N 1 2 438.550 -0.325 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000670740274 1072981175 /nfs/dbraw/zinc/98/11/75/1072981175.db2.gz GJCGLBQOPPCSJU-SFHVURJKSA-N 1 2 438.550 -0.325 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000670740373 1072981235 /nfs/dbraw/zinc/98/12/35/1072981235.db2.gz JVCYMXJATULXIK-GOSISDBHSA-N 1 2 440.566 -0.175 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000670740374 1072981109 /nfs/dbraw/zinc/98/11/09/1072981109.db2.gz JVCYMXJATULXIK-SFHVURJKSA-N 1 2 440.566 -0.175 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000670741874 1072983507 /nfs/dbraw/zinc/98/35/07/1072983507.db2.gz FTJWPQQPFBACNA-IYBDPMFKSA-N 1 2 440.566 -0.080 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000670741874 1072983501 /nfs/dbraw/zinc/98/35/01/1072983501.db2.gz FTJWPQQPFBACNA-IYBDPMFKSA-N 1 2 440.566 -0.080 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000670742536 1072984575 /nfs/dbraw/zinc/98/45/75/1072984575.db2.gz YMQYIPVCMDLKJS-UHFFFAOYSA-N 1 2 440.566 -0.079 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000670742934 1072985098 /nfs/dbraw/zinc/98/50/98/1072985098.db2.gz WSKLIPHGVSNJRO-UHFFFAOYSA-N 1 2 440.566 -0.079 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000670742934 1072985097 /nfs/dbraw/zinc/98/50/97/1072985097.db2.gz WSKLIPHGVSNJRO-UHFFFAOYSA-N 1 2 440.566 -0.079 20 0 IBADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000670742990 1072985179 /nfs/dbraw/zinc/98/51/79/1072985179.db2.gz ZLOVGDWKYMEJLH-UHFFFAOYSA-N 1 2 446.533 -0.201 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670781910 1072993517 /nfs/dbraw/zinc/99/35/17/1072993517.db2.gz VMYFSQLGUMDTLD-KRWDZBQOSA-N 1 2 438.550 -0.124 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670781911 1072993333 /nfs/dbraw/zinc/99/33/33/1072993333.db2.gz VMYFSQLGUMDTLD-QGZVFWFLSA-N 1 2 438.550 -0.124 20 0 IBADLO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)cn2)CC1 ZINC000670786814 1072994812 /nfs/dbraw/zinc/99/48/12/1072994812.db2.gz OXBBIKOUURMPKT-IBGZPJMESA-N 1 2 430.553 -0.370 20 0 IBADLO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)cn2)CC1 ZINC000670786815 1072994627 /nfs/dbraw/zinc/99/46/27/1072994627.db2.gz OXBBIKOUURMPKT-LJQANCHMSA-N 1 2 430.553 -0.370 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000670813383 1072998691 /nfs/dbraw/zinc/99/86/91/1072998691.db2.gz ATQZYJNNPKSPTH-IBGZPJMESA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000670813384 1072998734 /nfs/dbraw/zinc/99/87/34/1072998734.db2.gz ATQZYJNNPKSPTH-LJQANCHMSA-N 1 2 437.585 -0.384 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCOCC1 ZINC000670814020 1072999266 /nfs/dbraw/zinc/99/92/66/1072999266.db2.gz ITAYOHKIQHAGDN-APWZRJJASA-N 1 2 431.537 -0.047 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCOCC1 ZINC000670814021 1072999117 /nfs/dbraw/zinc/99/91/17/1072999117.db2.gz ITAYOHKIQHAGDN-LPHOPBHVSA-N 1 2 431.537 -0.047 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCOCC1 ZINC000670814022 1072999316 /nfs/dbraw/zinc/99/93/16/1072999316.db2.gz ITAYOHKIQHAGDN-QFBILLFUSA-N 1 2 431.537 -0.047 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[NH+]1CCOCC1 ZINC000670814023 1072999237 /nfs/dbraw/zinc/99/92/37/1072999237.db2.gz ITAYOHKIQHAGDN-VQIMIIECSA-N 1 2 431.537 -0.047 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670890157 1073015802 /nfs/dbraw/zinc/01/58/02/1073015802.db2.gz OOGUUAHMPGEUHA-GOSISDBHSA-N 1 2 438.488 -0.065 20 0 IBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670890158 1073015779 /nfs/dbraw/zinc/01/57/79/1073015779.db2.gz OOGUUAHMPGEUHA-SFHVURJKSA-N 1 2 438.488 -0.065 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000670899557 1073017370 /nfs/dbraw/zinc/01/73/70/1073017370.db2.gz MHKSCYRIQKGFOX-UHFFFAOYSA-N 1 2 446.475 -0.091 20 0 IBADLO Cc1ccc(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000670988409 1073021924 /nfs/dbraw/zinc/02/19/24/1073021924.db2.gz ZRVOKCNZCUDJKZ-UHFFFAOYSA-N 1 2 440.522 -0.733 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058435 1073033951 /nfs/dbraw/zinc/03/39/51/1073033951.db2.gz SARKKHGFBUJSKG-GOSISDBHSA-N 1 2 437.566 -0.535 20 0 IBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058436 1072794228 /nfs/dbraw/zinc/79/42/28/1072794228.db2.gz SARKKHGFBUJSKG-SFHVURJKSA-N 1 2 437.566 -0.535 20 0 IBADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000671058624 1073033410 /nfs/dbraw/zinc/03/34/10/1073033410.db2.gz JSKKHPYFCVILLL-UHFFFAOYSA-N 1 2 445.564 -0.074 20 0 IBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000671058746 1073033387 /nfs/dbraw/zinc/03/33/87/1073033387.db2.gz KNNIGKTUOBIAQV-KRWDZBQOSA-N 1 2 441.536 -0.206 20 0 IBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000671058747 1073034001 /nfs/dbraw/zinc/03/40/01/1073034001.db2.gz KNNIGKTUOBIAQV-QGZVFWFLSA-N 1 2 441.536 -0.206 20 0 IBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000671059162 1073034278 /nfs/dbraw/zinc/03/42/78/1073034278.db2.gz VTDCDAGKHGKQGT-UHFFFAOYSA-N 1 2 441.529 -0.929 20 0 IBADLO CN(Cc1ccoc1)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671059994 1073034210 /nfs/dbraw/zinc/03/42/10/1073034210.db2.gz AZHGJMIJDGWNNE-UHFFFAOYSA-N 1 2 435.506 -0.099 20 0 IBADLO Cn1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000671060002 1073034366 /nfs/dbraw/zinc/03/43/66/1073034366.db2.gz BWNMXUUGXMUTAM-UHFFFAOYSA-N 1 2 434.522 -0.696 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671060005 1073034457 /nfs/dbraw/zinc/03/44/57/1073034457.db2.gz CIFOQPUNXIPCHL-INIZCTEOSA-N 1 2 439.538 -0.808 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000671060006 1073034409 /nfs/dbraw/zinc/03/44/09/1073034409.db2.gz CIFOQPUNXIPCHL-MRXNPFEDSA-N 1 2 439.538 -0.808 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCSC1 ZINC000671060013 1073034253 /nfs/dbraw/zinc/03/42/53/1073034253.db2.gz DKBSDVXTLSOHLI-HNNXBMFYSA-N 1 2 441.579 -0.481 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCSC1 ZINC000671060014 1073034296 /nfs/dbraw/zinc/03/42/96/1073034296.db2.gz DKBSDVXTLSOHLI-OAHLLOKOSA-N 1 2 441.579 -0.481 20 0 IBADLO CC(C)OCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060034 1073034381 /nfs/dbraw/zinc/03/43/81/1073034381.db2.gz IFVBWLRCGXKSAV-UHFFFAOYSA-N 1 2 427.527 -0.809 20 0 IBADLO Cc1occc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060047 1073034444 /nfs/dbraw/zinc/03/44/44/1073034444.db2.gz KEJMWHCOJWOLME-UHFFFAOYSA-N 1 2 435.506 -0.133 20 0 IBADLO COC[C@@H]1CCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060063 1073034474 /nfs/dbraw/zinc/03/44/74/1073034474.db2.gz MQNFHVKIIKSVMF-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO COC[C@H]1CCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060064 1073034233 /nfs/dbraw/zinc/03/42/33/1073034233.db2.gz MQNFHVKIIKSVMF-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCC(F)(F)CC1 ZINC000671060068 1073034187 /nfs/dbraw/zinc/03/41/87/1073034187.db2.gz MSUMCBBNRRDVPW-UHFFFAOYSA-N 1 2 445.492 -0.093 20 0 IBADLO Cc1cc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000671060078 1073034336 /nfs/dbraw/zinc/03/43/36/1073034336.db2.gz OMJZDHULAIKEDB-UHFFFAOYSA-N 1 2 447.521 -0.936 20 0 IBADLO CC(C)N(C[C@H](C)O)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060082 1073034393 /nfs/dbraw/zinc/03/43/93/1073034393.db2.gz PBHKLXSFKCBQPN-INIZCTEOSA-N 1 2 441.554 -0.733 20 0 IBADLO CC(C)N(C[C@@H](C)O)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060083 1073034423 /nfs/dbraw/zinc/03/44/23/1073034423.db2.gz PBHKLXSFKCBQPN-MRXNPFEDSA-N 1 2 441.554 -0.733 20 0 IBADLO C[C@H]1COCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060108 1073034734 /nfs/dbraw/zinc/03/47/34/1073034734.db2.gz UZSQRDWHJQMHPM-INIZCTEOSA-N 1 2 439.538 -0.713 20 0 IBADLO C[C@@H]1COCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060109 1073034820 /nfs/dbraw/zinc/03/48/20/1073034820.db2.gz UZSQRDWHJQMHPM-MRXNPFEDSA-N 1 2 439.538 -0.713 20 0 IBADLO Cc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000671060111 1073034750 /nfs/dbraw/zinc/03/47/50/1073034750.db2.gz WDSCVSWRNQXRSO-UHFFFAOYSA-N 1 2 446.533 -0.331 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cscn1 ZINC000671060115 1073034889 /nfs/dbraw/zinc/03/48/89/1073034889.db2.gz YRWQYYXVGNWKRF-UHFFFAOYSA-N 1 2 438.535 -0.578 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000671065629 1073035785 /nfs/dbraw/zinc/03/57/85/1073035785.db2.gz WXSXSTSLDSGQJZ-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000671065629 1073035774 /nfs/dbraw/zinc/03/57/74/1073035774.db2.gz WXSXSTSLDSGQJZ-UHFFFAOYSA-N 1 2 425.493 -0.018 20 0 IBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000671117367 1073039830 /nfs/dbraw/zinc/03/98/30/1073039830.db2.gz WFXDJLGDMGIJDD-UHFFFAOYSA-N 1 2 432.506 -0.072 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671259077 1073047689 /nfs/dbraw/zinc/04/76/89/1073047689.db2.gz KPZOUYMMELBLNI-KRWDZBQOSA-N 1 2 431.493 -0.494 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671259078 1073047531 /nfs/dbraw/zinc/04/75/31/1073047531.db2.gz KPZOUYMMELBLNI-QGZVFWFLSA-N 1 2 431.493 -0.494 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)ccn2)CC1 ZINC000671269631 1072277806 /nfs/dbraw/zinc/27/78/06/1072277806.db2.gz MFIBWGLGEAXMFB-DOTOQJQBSA-N 1 2 435.525 -0.318 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccn2)CC1 ZINC000671269632 1073048925 /nfs/dbraw/zinc/04/89/25/1073048925.db2.gz MFIBWGLGEAXMFB-NVXWUHKLSA-N 1 2 435.525 -0.318 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)ccn2)CC1 ZINC000671269633 1073048569 /nfs/dbraw/zinc/04/85/69/1073048569.db2.gz MFIBWGLGEAXMFB-RDJZCZTQSA-N 1 2 435.525 -0.318 20 0 IBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)ccn2)CC1 ZINC000671269634 1073048696 /nfs/dbraw/zinc/04/86/96/1073048696.db2.gz MFIBWGLGEAXMFB-WBVHZDCISA-N 1 2 435.525 -0.318 20 0 IBADLO O=C(NC[C@@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671333845 1073053322 /nfs/dbraw/zinc/05/33/22/1073053322.db2.gz HUQHXYJMLFCUCJ-DLBZAZTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671333845 1073053314 /nfs/dbraw/zinc/05/33/14/1073053314.db2.gz HUQHXYJMLFCUCJ-DLBZAZTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671333849 1073053175 /nfs/dbraw/zinc/05/31/75/1073053175.db2.gz HUQHXYJMLFCUCJ-IAGOWNOFSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671333849 1073053168 /nfs/dbraw/zinc/05/31/68/1073053168.db2.gz HUQHXYJMLFCUCJ-IAGOWNOFSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671333853 1073053267 /nfs/dbraw/zinc/05/32/67/1073053267.db2.gz HUQHXYJMLFCUCJ-IRXDYDNUSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671333853 1073053260 /nfs/dbraw/zinc/05/32/60/1073053260.db2.gz HUQHXYJMLFCUCJ-IRXDYDNUSA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671333854 1073053240 /nfs/dbraw/zinc/05/32/40/1073053240.db2.gz HUQHXYJMLFCUCJ-SJORKVTESA-N 1 2 432.525 -0.059 20 0 IBADLO O=C(NC[C@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671333854 1073053224 /nfs/dbraw/zinc/05/32/24/1073053224.db2.gz HUQHXYJMLFCUCJ-SJORKVTESA-N 1 2 432.525 -0.059 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000671344541 1073053577 /nfs/dbraw/zinc/05/35/77/1073053577.db2.gz LJODUFPIBFKLKA-UHFFFAOYSA-N 1 2 434.522 -0.818 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000671344821 1073053709 /nfs/dbraw/zinc/05/37/09/1073053709.db2.gz BMSUIQPAOVIEEV-UHFFFAOYSA-N 1 2 432.462 -0.288 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000671357081 1073055189 /nfs/dbraw/zinc/05/51/89/1073055189.db2.gz CCRIXVAFRMBAML-GOSISDBHSA-N 1 2 437.566 -0.805 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000671357081 1073055178 /nfs/dbraw/zinc/05/51/78/1073055178.db2.gz CCRIXVAFRMBAML-GOSISDBHSA-N 1 2 437.566 -0.805 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000671357082 1073055101 /nfs/dbraw/zinc/05/51/01/1073055101.db2.gz CCRIXVAFRMBAML-SFHVURJKSA-N 1 2 437.566 -0.805 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000671357082 1073055092 /nfs/dbraw/zinc/05/50/92/1073055092.db2.gz CCRIXVAFRMBAML-SFHVURJKSA-N 1 2 437.566 -0.805 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671359319 1073137225 /nfs/dbraw/zinc/13/72/25/1073137225.db2.gz POGOVUOEYLOTAE-UHFFFAOYSA-N 1 2 437.566 -0.976 20 0 IBADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359433 1073063728 /nfs/dbraw/zinc/06/37/28/1073063728.db2.gz RJCOHKXXXNRRLY-UHFFFAOYSA-N 1 2 442.586 -0.623 20 0 IBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C ZINC000671359557 1073063409 /nfs/dbraw/zinc/06/34/09/1073063409.db2.gz UPCFBCSFUZZCJV-UHFFFAOYSA-N 1 2 441.554 -0.641 20 0 IBADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000671395965 1073066742 /nfs/dbraw/zinc/06/67/42/1073066742.db2.gz LEACIAXNXLGXSI-UHFFFAOYSA-N 1 2 447.517 -0.219 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)n1 ZINC000671396079 1073066778 /nfs/dbraw/zinc/06/67/78/1073066778.db2.gz CGOIZWHGALKVOT-UHFFFAOYSA-N 1 2 428.493 -0.008 20 0 IBADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000671398439 1073067034 /nfs/dbraw/zinc/06/70/34/1073067034.db2.gz IOSSRYPWUWSWDX-UHFFFAOYSA-N 1 2 426.564 -0.387 20 0 IBADLO O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671399206 1073238125 /nfs/dbraw/zinc/23/81/25/1073238125.db2.gz LAIMCYUWDRYAAM-FXAWDEMLSA-N 1 2 426.583 -0.366 20 0 IBADLO O=C(NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671399208 1073238015 /nfs/dbraw/zinc/23/80/15/1073238015.db2.gz LAIMCYUWDRYAAM-PXNSSMCTSA-N 1 2 426.583 -0.366 20 0 IBADLO O=C(NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671399210 1073238069 /nfs/dbraw/zinc/23/80/69/1073238069.db2.gz LAIMCYUWDRYAAM-XLIONFOSSA-N 1 2 426.583 -0.366 20 0 IBADLO O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671399212 1073238518 /nfs/dbraw/zinc/23/85/18/1073238518.db2.gz LAIMCYUWDRYAAM-YLJYHZDGSA-N 1 2 426.583 -0.366 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000671821880 1073122555 /nfs/dbraw/zinc/12/25/55/1073122555.db2.gz BUPOHFULYFRCAV-UHFFFAOYSA-N 1 2 430.505 -0.153 20 0 IBADLO CN(CCN1CCOCC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822042 1073123228 /nfs/dbraw/zinc/12/32/28/1073123228.db2.gz ILZRDTYZTIEROH-UHFFFAOYSA-N 1 2 434.537 -0.196 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000671848266 1073124926 /nfs/dbraw/zinc/12/49/26/1073124926.db2.gz VTXKIJVMRBXXKK-INIZCTEOSA-N 1 2 427.523 -0.882 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000671848267 1073124833 /nfs/dbraw/zinc/12/48/33/1073124833.db2.gz VTXKIJVMRBXXKK-MRXNPFEDSA-N 1 2 427.523 -0.882 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671867771 1073126141 /nfs/dbraw/zinc/12/61/41/1073126141.db2.gz HWGYAYLXYPTNLF-CVEARBPZSA-N 1 2 426.539 -0.019 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671867772 1073126147 /nfs/dbraw/zinc/12/61/47/1073126147.db2.gz HWGYAYLXYPTNLF-HOTGVXAUSA-N 1 2 426.539 -0.019 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671867773 1073126170 /nfs/dbraw/zinc/12/61/70/1073126170.db2.gz HWGYAYLXYPTNLF-HZPDHXFCSA-N 1 2 426.539 -0.019 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000671867774 1073126049 /nfs/dbraw/zinc/12/60/49/1073126049.db2.gz HWGYAYLXYPTNLF-JKSUJKDBSA-N 1 2 426.539 -0.019 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671870803 1073127194 /nfs/dbraw/zinc/12/71/94/1073127194.db2.gz BNOSFBBHNYJXMR-FCLVOEFKSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671870803 1073127186 /nfs/dbraw/zinc/12/71/86/1073127186.db2.gz BNOSFBBHNYJXMR-FCLVOEFKSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671870804 1073127147 /nfs/dbraw/zinc/12/71/47/1073127147.db2.gz BNOSFBBHNYJXMR-FDPIWHGQSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671870804 1073127139 /nfs/dbraw/zinc/12/71/39/1073127139.db2.gz BNOSFBBHNYJXMR-FDPIWHGQSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671870805 1073127061 /nfs/dbraw/zinc/12/70/61/1073127061.db2.gz BNOSFBBHNYJXMR-GRGSLBFTSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671870805 1073127051 /nfs/dbraw/zinc/12/70/51/1073127051.db2.gz BNOSFBBHNYJXMR-GRGSLBFTSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671870806 1073127173 /nfs/dbraw/zinc/12/71/73/1073127173.db2.gz BNOSFBBHNYJXMR-ZWQIFLOQSA-N 1 2 439.534 -0.249 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671870806 1073127167 /nfs/dbraw/zinc/12/71/67/1073127167.db2.gz BNOSFBBHNYJXMR-ZWQIFLOQSA-N 1 2 439.534 -0.249 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671909148 1073128368 /nfs/dbraw/zinc/12/83/68/1073128368.db2.gz IZVBRTHVOHFGRX-UHFFFAOYSA-N 1 2 436.467 -0.142 20 0 IBADLO COc1cccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000671916075 1073128331 /nfs/dbraw/zinc/12/83/31/1073128331.db2.gz CLMABPCIKLQJRH-UHFFFAOYSA-N 1 2 426.477 -0.044 20 0 IBADLO COc1cccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000671916132 1073128519 /nfs/dbraw/zinc/12/85/19/1073128519.db2.gz FOPHHQTZDJPRFF-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO COc1cccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000671916132 1073128516 /nfs/dbraw/zinc/12/85/16/1073128516.db2.gz FOPHHQTZDJPRFF-UHFFFAOYSA-N 1 2 441.492 -0.318 20 0 IBADLO O=C(CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(c2ccccc2)CC1 ZINC000671948911 1073130870 /nfs/dbraw/zinc/13/08/70/1073130870.db2.gz XMGOPQIDXBLCLN-FQEVSTJZSA-N 1 2 443.548 -0.225 20 0 IBADLO O=C(CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(c2ccccc2)CC1 ZINC000671948913 1073130742 /nfs/dbraw/zinc/13/07/42/1073130742.db2.gz XMGOPQIDXBLCLN-HXUWFJFHSA-N 1 2 443.548 -0.225 20 0 IBADLO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000671988346 1073132207 /nfs/dbraw/zinc/13/22/07/1073132207.db2.gz CZBCDIQQNISVEW-AWEZNQCLSA-N 1 2 429.568 -0.438 20 0 IBADLO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000671988348 1073132041 /nfs/dbraw/zinc/13/20/41/1073132041.db2.gz CZBCDIQQNISVEW-CQSZACIVSA-N 1 2 429.568 -0.438 20 0 IBADLO COC1(CO)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671995121 1073133574 /nfs/dbraw/zinc/13/35/74/1073133574.db2.gz AZGBHTONMYQMHE-UHFFFAOYSA-N 1 2 433.509 -0.764 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995342 1073132979 /nfs/dbraw/zinc/13/29/79/1073132979.db2.gz QJHOMKGVTLEBJB-MSOLQXFVSA-N 1 2 445.520 -0.357 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995354 1073133598 /nfs/dbraw/zinc/13/35/98/1073133598.db2.gz QJHOMKGVTLEBJB-QZTJIDSGSA-N 1 2 445.520 -0.357 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995356 1073133639 /nfs/dbraw/zinc/13/36/39/1073133639.db2.gz QJHOMKGVTLEBJB-ROUUACIJSA-N 1 2 445.520 -0.357 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995357 1073133490 /nfs/dbraw/zinc/13/34/90/1073133490.db2.gz QJHOMKGVTLEBJB-ZWKOTPCHSA-N 1 2 445.520 -0.357 20 0 IBADLO COC1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000671995364 1073132947 /nfs/dbraw/zinc/13/29/47/1073132947.db2.gz QTYHCAJFFBEZSF-UHFFFAOYSA-N 1 2 433.509 -0.452 20 0 IBADLO COCC1(O)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671995515 1073133107 /nfs/dbraw/zinc/13/31/07/1073133107.db2.gz XPYMVWMMLBNRGO-UHFFFAOYSA-N 1 2 433.509 -0.764 20 0 IBADLO Cc1cn2c(n1)CN(C(=O)C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000671998029 1073134326 /nfs/dbraw/zinc/13/43/26/1073134326.db2.gz HBRGQIQKUDYLJR-UHFFFAOYSA-N 1 2 425.493 -0.216 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCOC[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998061 1073133514 /nfs/dbraw/zinc/13/35/14/1073133514.db2.gz KJNVEKTVIMMZLA-KRWDZBQOSA-N 1 2 433.509 -0.594 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCOC[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998066 1073133529 /nfs/dbraw/zinc/13/35/29/1073133529.db2.gz KJNVEKTVIMMZLA-QGZVFWFLSA-N 1 2 433.509 -0.594 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCO[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998104 1073133708 /nfs/dbraw/zinc/13/37/08/1073133708.db2.gz PHRPSBZYNVMBHX-KRWDZBQOSA-N 1 2 433.509 -0.452 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCCO[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998105 1073133614 /nfs/dbraw/zinc/13/36/14/1073133614.db2.gz PHRPSBZYNVMBHX-QGZVFWFLSA-N 1 2 433.509 -0.452 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(OCCCO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998112 1073133629 /nfs/dbraw/zinc/13/36/29/1073133629.db2.gz QJDQRTUATTUKTN-UHFFFAOYSA-N 1 2 447.536 -0.374 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(c2ncccn2)CC1 ZINC000672062151 1073144951 /nfs/dbraw/zinc/14/49/51/1073144951.db2.gz RTQTXXXWKPZYHS-KRWDZBQOSA-N 1 2 440.508 -0.308 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(c2ncccn2)CC1 ZINC000672062152 1073144985 /nfs/dbraw/zinc/14/49/85/1073144985.db2.gz RTQTXXXWKPZYHS-QGZVFWFLSA-N 1 2 440.508 -0.308 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(S(N)(=O)=O)c1 ZINC000672142511 1073152582 /nfs/dbraw/zinc/15/25/82/1073152582.db2.gz LSBMTGWZLRQOLS-AWEZNQCLSA-N 1 2 432.568 -0.115 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(S(N)(=O)=O)c1 ZINC000672142512 1073152632 /nfs/dbraw/zinc/15/26/32/1073152632.db2.gz LSBMTGWZLRQOLS-CQSZACIVSA-N 1 2 432.568 -0.115 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CC[C@H](CO)C3)cc2)CC1 ZINC000672168382 1073157397 /nfs/dbraw/zinc/15/73/97/1073157397.db2.gz XMHZBSFWBOFQFY-FQEVSTJZSA-N 1 2 446.548 -0.271 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N3CC[C@@H](CO)C3)cc2)CC1 ZINC000672168383 1073157438 /nfs/dbraw/zinc/15/74/38/1073157438.db2.gz XMHZBSFWBOFQFY-HXUWFJFHSA-N 1 2 446.548 -0.271 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N[C@H]3CCOC3)cc2)CC1 ZINC000672168419 1073157492 /nfs/dbraw/zinc/15/74/92/1073157492.db2.gz KEALEFUAHPRQGE-IBGZPJMESA-N 1 2 432.521 -0.207 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N[C@@H]3CCOC3)cc2)CC1 ZINC000672168420 1073157486 /nfs/dbraw/zinc/15/74/86/1073157486.db2.gz KEALEFUAHPRQGE-LJQANCHMSA-N 1 2 432.521 -0.207 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N(C)C[C@H](C)O)cc2)CC1 ZINC000672168470 1073157853 /nfs/dbraw/zinc/15/78/53/1073157853.db2.gz XZQHXADAFDQPJG-KRWDZBQOSA-N 1 2 434.537 -0.273 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)N(C)C[C@@H](C)O)cc2)CC1 ZINC000672168471 1073157824 /nfs/dbraw/zinc/15/78/24/1073157824.db2.gz XZQHXADAFDQPJG-QGZVFWFLSA-N 1 2 434.537 -0.273 20 0 IBADLO COc1c[nH+]c(NCC(C)(C)NS(C)(=O)=O)nc1NCC(C)(C)NS(C)(=O)=O ZINC000672212560 1073160028 /nfs/dbraw/zinc/16/00/28/1073160028.db2.gz JASUJKCVGBHYGK-UHFFFAOYSA-N 1 2 438.576 -0.035 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCCN2CCCCC2=O)CC1 ZINC000672321264 1073164653 /nfs/dbraw/zinc/16/46/53/1073164653.db2.gz UWETYDKFMVZKHE-UHFFFAOYSA-N 1 2 428.497 -0.469 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672340312 1073165625 /nfs/dbraw/zinc/16/56/25/1073165625.db2.gz KQLBIDIPSLPNSI-CVEARBPZSA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672340313 1073165663 /nfs/dbraw/zinc/16/56/63/1073165663.db2.gz KQLBIDIPSLPNSI-HOTGVXAUSA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672340314 1073165637 /nfs/dbraw/zinc/16/56/37/1073165637.db2.gz KQLBIDIPSLPNSI-HZPDHXFCSA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672340315 1073165657 /nfs/dbraw/zinc/16/56/57/1073165657.db2.gz KQLBIDIPSLPNSI-JKSUJKDBSA-N 1 2 426.464 -0.189 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672351791 1073166413 /nfs/dbraw/zinc/16/64/13/1073166413.db2.gz NGRVXDRFJUVRQL-UHFFFAOYSA-N 1 2 440.591 -0.174 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672351965 1073166002 /nfs/dbraw/zinc/16/60/02/1073166002.db2.gz YMGXJZNPQBZMQB-AWEZNQCLSA-N 1 2 427.552 -0.729 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672351966 1073166023 /nfs/dbraw/zinc/16/60/23/1073166023.db2.gz YMGXJZNPQBZMQB-CQSZACIVSA-N 1 2 427.552 -0.729 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352002 1073166035 /nfs/dbraw/zinc/16/60/35/1073166035.db2.gz JYQGONWNSOEFHJ-INIZCTEOSA-N 1 2 426.564 -0.216 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352002 1073166031 /nfs/dbraw/zinc/16/60/31/1073166031.db2.gz JYQGONWNSOEFHJ-INIZCTEOSA-N 1 2 426.564 -0.216 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352003 1073165976 /nfs/dbraw/zinc/16/59/76/1073165976.db2.gz JYQGONWNSOEFHJ-MRXNPFEDSA-N 1 2 426.564 -0.216 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352003 1073165974 /nfs/dbraw/zinc/16/59/74/1073165974.db2.gz JYQGONWNSOEFHJ-MRXNPFEDSA-N 1 2 426.564 -0.216 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672352080 1073166384 /nfs/dbraw/zinc/16/63/84/1073166384.db2.gz PMLDOJJFZQKLFY-OAHLLOKOSA-N 1 2 428.536 -0.444 20 0 IBADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000672361990 1073166815 /nfs/dbraw/zinc/16/68/15/1073166815.db2.gz DQNCETQWAJYYAE-KRWDZBQOSA-N 1 2 439.534 -0.092 20 0 IBADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000672361991 1073166759 /nfs/dbraw/zinc/16/67/59/1073166759.db2.gz DQNCETQWAJYYAE-QGZVFWFLSA-N 1 2 439.534 -0.092 20 0 IBADLO O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672366460 1073167284 /nfs/dbraw/zinc/16/72/84/1073167284.db2.gz SAJVNDDBHATNIJ-KRWDZBQOSA-N 1 2 448.524 -0.869 20 0 IBADLO O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672366460 1073167282 /nfs/dbraw/zinc/16/72/82/1073167282.db2.gz SAJVNDDBHATNIJ-KRWDZBQOSA-N 1 2 448.524 -0.869 20 0 IBADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672366461 1073167218 /nfs/dbraw/zinc/16/72/18/1073167218.db2.gz SAJVNDDBHATNIJ-QGZVFWFLSA-N 1 2 448.524 -0.869 20 0 IBADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672366461 1073167211 /nfs/dbraw/zinc/16/72/11/1073167211.db2.gz SAJVNDDBHATNIJ-QGZVFWFLSA-N 1 2 448.524 -0.869 20 0 IBADLO COCc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000672376787 1073167252 /nfs/dbraw/zinc/16/72/52/1073167252.db2.gz JKGRCIXZQNHKGT-UHFFFAOYSA-N 1 2 446.595 -0.227 20 0 IBADLO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000672397536 1073168414 /nfs/dbraw/zinc/16/84/14/1073168414.db2.gz DQRSZDWERHWNBD-IBGZPJMESA-N 1 2 449.577 -0.265 20 0 IBADLO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000672397537 1073168457 /nfs/dbraw/zinc/16/84/57/1073168457.db2.gz DQRSZDWERHWNBD-LJQANCHMSA-N 1 2 449.577 -0.265 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000672455450 1073170627 /nfs/dbraw/zinc/17/06/27/1073170627.db2.gz DPSSXCQHTKQEIO-DLBZAZTESA-N 1 2 429.521 -0.196 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000672455451 1073170523 /nfs/dbraw/zinc/17/05/23/1073170523.db2.gz DPSSXCQHTKQEIO-IAGOWNOFSA-N 1 2 429.521 -0.196 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000672455452 1073170691 /nfs/dbraw/zinc/17/06/91/1073170691.db2.gz DPSSXCQHTKQEIO-IRXDYDNUSA-N 1 2 429.521 -0.196 20 0 IBADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000672455453 1073170701 /nfs/dbraw/zinc/17/07/01/1073170701.db2.gz DPSSXCQHTKQEIO-SJORKVTESA-N 1 2 429.521 -0.196 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cc[nH+]1 ZINC000672458924 1073169775 /nfs/dbraw/zinc/16/97/75/1073169775.db2.gz LRTSDFVFESCQGR-INIZCTEOSA-N 1 2 437.504 -0.072 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cc[nH+]1 ZINC000672458925 1073169803 /nfs/dbraw/zinc/16/98/03/1073169803.db2.gz LRTSDFVFESCQGR-MRXNPFEDSA-N 1 2 437.504 -0.072 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000672510564 1073173804 /nfs/dbraw/zinc/17/38/04/1073173804.db2.gz ZBBGYFPEKYHIQF-UHFFFAOYSA-N 1 2 426.539 -0.121 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672598331 1073177280 /nfs/dbraw/zinc/17/72/80/1073177280.db2.gz URAIMJAUIKBDDN-AABGKKOBSA-N 1 2 449.596 -0.099 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672598332 1073177286 /nfs/dbraw/zinc/17/72/86/1073177286.db2.gz URAIMJAUIKBDDN-AQNXPRMDSA-N 1 2 449.596 -0.099 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672598333 1073177264 /nfs/dbraw/zinc/17/72/64/1073177264.db2.gz URAIMJAUIKBDDN-HSALFYBXSA-N 1 2 449.596 -0.099 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672598334 1073177183 /nfs/dbraw/zinc/17/71/83/1073177183.db2.gz URAIMJAUIKBDDN-VAMGGRTRSA-N 1 2 449.596 -0.099 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598686 1073177230 /nfs/dbraw/zinc/17/72/30/1073177230.db2.gz WMLHJAIXUUVSQG-BBWFWOEESA-N 1 2 430.571 -0.466 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598687 1073177273 /nfs/dbraw/zinc/17/72/73/1073177273.db2.gz WMLHJAIXUUVSQG-GVDBMIGSSA-N 1 2 430.571 -0.466 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598688 1073177237 /nfs/dbraw/zinc/17/72/37/1073177237.db2.gz WMLHJAIXUUVSQG-ULQDDVLXSA-N 1 2 430.571 -0.466 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598689 1073177225 /nfs/dbraw/zinc/17/72/25/1073177225.db2.gz WMLHJAIXUUVSQG-YESZJQIVSA-N 1 2 430.571 -0.466 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ncn1 ZINC000672630049 1073177663 /nfs/dbraw/zinc/17/76/63/1073177663.db2.gz HTKXQEJSBCMZMN-UHFFFAOYSA-N 1 2 426.481 -0.623 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ncn1 ZINC000672630049 1073177661 /nfs/dbraw/zinc/17/76/61/1073177661.db2.gz HTKXQEJSBCMZMN-UHFFFAOYSA-N 1 2 426.481 -0.623 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ncn1 ZINC000672633783 1073177833 /nfs/dbraw/zinc/17/78/33/1073177833.db2.gz SKNICRVXWXACBL-INIZCTEOSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ncn1 ZINC000672633783 1073177821 /nfs/dbraw/zinc/17/78/21/1073177821.db2.gz SKNICRVXWXACBL-INIZCTEOSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ncn1 ZINC000672633784 1073177722 /nfs/dbraw/zinc/17/77/22/1073177722.db2.gz SKNICRVXWXACBL-MRXNPFEDSA-N 1 2 440.508 -0.187 20 0 IBADLO Cc1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ncn1 ZINC000672633784 1073177719 /nfs/dbraw/zinc/17/77/19/1073177719.db2.gz SKNICRVXWXACBL-MRXNPFEDSA-N 1 2 440.508 -0.187 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672662228 1073182659 /nfs/dbraw/zinc/18/26/59/1073182659.db2.gz GCJDEXNLQLVIKM-INIZCTEOSA-N 1 2 440.508 -0.294 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672662228 1073182656 /nfs/dbraw/zinc/18/26/56/1073182656.db2.gz GCJDEXNLQLVIKM-INIZCTEOSA-N 1 2 440.508 -0.294 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672662231 1073182724 /nfs/dbraw/zinc/18/27/24/1073182724.db2.gz GCJDEXNLQLVIKM-MRXNPFEDSA-N 1 2 440.508 -0.294 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672662231 1073182720 /nfs/dbraw/zinc/18/27/20/1073182720.db2.gz GCJDEXNLQLVIKM-MRXNPFEDSA-N 1 2 440.508 -0.294 20 0 IBADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662388 1073182150 /nfs/dbraw/zinc/18/21/50/1073182150.db2.gz KUIOUYQFDLJHLR-DLBZAZTESA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662388 1073182147 /nfs/dbraw/zinc/18/21/47/1073182147.db2.gz KUIOUYQFDLJHLR-DLBZAZTESA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662389 1073182011 /nfs/dbraw/zinc/18/20/11/1073182011.db2.gz KUIOUYQFDLJHLR-IAGOWNOFSA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662389 1073182009 /nfs/dbraw/zinc/18/20/09/1073182009.db2.gz KUIOUYQFDLJHLR-IAGOWNOFSA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662390 1073182100 /nfs/dbraw/zinc/18/21/00/1073182100.db2.gz KUIOUYQFDLJHLR-IRXDYDNUSA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662390 1073182095 /nfs/dbraw/zinc/18/20/95/1073182095.db2.gz KUIOUYQFDLJHLR-IRXDYDNUSA-N 1 2 432.525 -0.373 20 0 IBADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662420 1073182021 /nfs/dbraw/zinc/18/20/21/1073182021.db2.gz YTMCVBUNAFFMQS-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662420 1073182016 /nfs/dbraw/zinc/18/20/16/1073182016.db2.gz YTMCVBUNAFFMQS-CVEARBPZSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662421 1073181999 /nfs/dbraw/zinc/18/19/99/1073181999.db2.gz YTMCVBUNAFFMQS-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662421 1073181997 /nfs/dbraw/zinc/18/19/97/1073181997.db2.gz YTMCVBUNAFFMQS-HOTGVXAUSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662422 1073182177 /nfs/dbraw/zinc/18/21/77/1073182177.db2.gz YTMCVBUNAFFMQS-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662422 1073182175 /nfs/dbraw/zinc/18/21/75/1073182175.db2.gz YTMCVBUNAFFMQS-HZPDHXFCSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662423 1073182027 /nfs/dbraw/zinc/18/20/27/1073182027.db2.gz YTMCVBUNAFFMQS-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662423 1073182023 /nfs/dbraw/zinc/18/20/23/1073182023.db2.gz YTMCVBUNAFFMQS-JKSUJKDBSA-N 1 2 445.524 -0.865 20 0 IBADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662438 1073182113 /nfs/dbraw/zinc/18/21/13/1073182113.db2.gz KUIOUYQFDLJHLR-SJORKVTESA-N 1 2 432.525 -0.373 20 0 IBADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662438 1073182110 /nfs/dbraw/zinc/18/21/10/1073182110.db2.gz KUIOUYQFDLJHLR-SJORKVTESA-N 1 2 432.525 -0.373 20 0 IBADLO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000672719207 1073184197 /nfs/dbraw/zinc/18/41/97/1073184197.db2.gz GZDZECHCUKEKSF-CYBMUJFWSA-N 1 2 442.542 -0.895 20 0 IBADLO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000672719215 1073184368 /nfs/dbraw/zinc/18/43/68/1073184368.db2.gz GZDZECHCUKEKSF-ZDUSSCGKSA-N 1 2 442.542 -0.895 20 0 IBADLO CC(C)c1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000672738708 1073185320 /nfs/dbraw/zinc/18/53/20/1073185320.db2.gz UFWMGVWEGSWDGW-UHFFFAOYSA-N 1 2 442.542 -0.949 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)[nH+]c12 ZINC000672763341 1073185846 /nfs/dbraw/zinc/18/58/46/1073185846.db2.gz ITEYTAOAQODHAD-UHFFFAOYSA-N 1 2 442.520 -0.696 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)[nH+]c12 ZINC000672763432 1073185827 /nfs/dbraw/zinc/18/58/27/1073185827.db2.gz FQTCYMKSNPPHHY-UHFFFAOYSA-N 1 2 439.563 -0.204 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)[nH+]c12 ZINC000672763766 1073185683 /nfs/dbraw/zinc/18/56/83/1073185683.db2.gz KWCCLQQWYMUJDD-UHFFFAOYSA-N 1 2 426.477 -0.749 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)NCCNS(=O)(=O)Cc3ccon3)[nH+]c12 ZINC000672764036 1073185702 /nfs/dbraw/zinc/18/57/02/1073185702.db2.gz AFILIZIGIISZIJ-UHFFFAOYSA-N 1 2 434.478 -0.475 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)[nH+]c12 ZINC000672765558 1073185735 /nfs/dbraw/zinc/18/57/35/1073185735.db2.gz OAKOGTSVDHUIJN-UHFFFAOYSA-N 1 2 442.520 -0.696 20 0 IBADLO CN(C)c1nc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cs1 ZINC000672808442 1073186643 /nfs/dbraw/zinc/18/66/43/1073186643.db2.gz OQBYKVGXGYLCNY-UHFFFAOYSA-N 1 2 429.510 -0.149 20 0 IBADLO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000672867998 1073188369 /nfs/dbraw/zinc/18/83/69/1073188369.db2.gz MXNJULYWKLMJIU-JZXOWHBKSA-N 1 2 427.498 -0.117 20 0 IBADLO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000672867999 1073188418 /nfs/dbraw/zinc/18/84/18/1073188418.db2.gz MXNJULYWKLMJIU-NUJGCVRESA-N 1 2 427.498 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000672878767 1073188147 /nfs/dbraw/zinc/18/81/47/1073188147.db2.gz UPABCKYGHTWIKP-IBGZPJMESA-N 1 2 440.522 -0.173 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000672878767 1073188140 /nfs/dbraw/zinc/18/81/40/1073188140.db2.gz UPABCKYGHTWIKP-IBGZPJMESA-N 1 2 440.522 -0.173 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000672878768 1073188257 /nfs/dbraw/zinc/18/82/57/1073188257.db2.gz UPABCKYGHTWIKP-LJQANCHMSA-N 1 2 440.522 -0.173 20 0 IBADLO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000672878768 1073188244 /nfs/dbraw/zinc/18/82/44/1073188244.db2.gz UPABCKYGHTWIKP-LJQANCHMSA-N 1 2 440.522 -0.173 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000672897016 1073188955 /nfs/dbraw/zinc/18/89/55/1073188955.db2.gz AGLFNHDILLTBDP-AWEZNQCLSA-N 1 2 428.486 -0.005 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F ZINC000672897017 1073189320 /nfs/dbraw/zinc/18/93/20/1073189320.db2.gz AGLFNHDILLTBDP-CQSZACIVSA-N 1 2 428.486 -0.005 20 0 IBADLO COC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC000672992994 1073192023 /nfs/dbraw/zinc/19/20/23/1073192023.db2.gz QEKSAMAEENUICA-UHFFFAOYSA-N 1 2 448.524 -0.726 20 0 IBADLO COC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC000672992994 1073192021 /nfs/dbraw/zinc/19/20/21/1073192021.db2.gz QEKSAMAEENUICA-UHFFFAOYSA-N 1 2 448.524 -0.726 20 0 IBADLO Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000673195451 1073198820 /nfs/dbraw/zinc/19/88/20/1073198820.db2.gz YJNNXTRSENLJEN-INIZCTEOSA-N 1 2 438.554 -0.796 20 0 IBADLO Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000673195452 1073198890 /nfs/dbraw/zinc/19/88/90/1073198890.db2.gz YJNNXTRSENLJEN-MRXNPFEDSA-N 1 2 438.554 -0.796 20 0 IBADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673211057 1073199315 /nfs/dbraw/zinc/19/93/15/1073199315.db2.gz QOUBDUFZENXGMN-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673211057 1073199311 /nfs/dbraw/zinc/19/93/11/1073199311.db2.gz QOUBDUFZENXGMN-DLBZAZTESA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673211058 1073199420 /nfs/dbraw/zinc/19/94/20/1073199420.db2.gz QOUBDUFZENXGMN-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673211058 1073199413 /nfs/dbraw/zinc/19/94/13/1073199413.db2.gz QOUBDUFZENXGMN-IAGOWNOFSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673211059 1073199499 /nfs/dbraw/zinc/19/94/99/1073199499.db2.gz QOUBDUFZENXGMN-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673211059 1073199494 /nfs/dbraw/zinc/19/94/94/1073199494.db2.gz QOUBDUFZENXGMN-IRXDYDNUSA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673211060 1073199402 /nfs/dbraw/zinc/19/94/02/1073199402.db2.gz QOUBDUFZENXGMN-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673211060 1073199400 /nfs/dbraw/zinc/19/94/00/1073199400.db2.gz QOUBDUFZENXGMN-SJORKVTESA-N 1 2 432.525 -0.107 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000673280186 1073201772 /nfs/dbraw/zinc/20/17/72/1073201772.db2.gz ACQKFCVVKHVMOW-GOSISDBHSA-N 1 2 447.517 -0.049 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000673280186 1073201766 /nfs/dbraw/zinc/20/17/66/1073201766.db2.gz ACQKFCVVKHVMOW-GOSISDBHSA-N 1 2 447.517 -0.049 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000673280187 1073201858 /nfs/dbraw/zinc/20/18/58/1073201858.db2.gz ACQKFCVVKHVMOW-SFHVURJKSA-N 1 2 447.517 -0.049 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000673280187 1073201851 /nfs/dbraw/zinc/20/18/51/1073201851.db2.gz ACQKFCVVKHVMOW-SFHVURJKSA-N 1 2 447.517 -0.049 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000673281045 1073201750 /nfs/dbraw/zinc/20/17/50/1073201750.db2.gz BETCSXRSXANQMJ-IBGZPJMESA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000673281045 1073201743 /nfs/dbraw/zinc/20/17/43/1073201743.db2.gz BETCSXRSXANQMJ-IBGZPJMESA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000673281046 1073201725 /nfs/dbraw/zinc/20/17/25/1073201725.db2.gz BETCSXRSXANQMJ-LJQANCHMSA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000673281046 1073201721 /nfs/dbraw/zinc/20/17/21/1073201721.db2.gz BETCSXRSXANQMJ-LJQANCHMSA-N 1 2 429.521 -0.708 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284805 1073201703 /nfs/dbraw/zinc/20/17/03/1073201703.db2.gz NLPAYKIWORVPKR-FXAWDEMLSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284805 1073201696 /nfs/dbraw/zinc/20/16/96/1073201696.db2.gz NLPAYKIWORVPKR-FXAWDEMLSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284807 1073201915 /nfs/dbraw/zinc/20/19/15/1073201915.db2.gz NLPAYKIWORVPKR-PXNSSMCTSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284807 1073201912 /nfs/dbraw/zinc/20/19/12/1073201912.db2.gz NLPAYKIWORVPKR-PXNSSMCTSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284808 1073201656 /nfs/dbraw/zinc/20/16/56/1073201656.db2.gz NLPAYKIWORVPKR-XLIONFOSSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284808 1073201651 /nfs/dbraw/zinc/20/16/51/1073201651.db2.gz NLPAYKIWORVPKR-XLIONFOSSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284809 1073201794 /nfs/dbraw/zinc/20/17/94/1073201794.db2.gz NLPAYKIWORVPKR-YLJYHZDGSA-N 1 2 445.564 -0.025 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284809 1073201781 /nfs/dbraw/zinc/20/17/81/1073201781.db2.gz NLPAYKIWORVPKR-YLJYHZDGSA-N 1 2 445.564 -0.025 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000673288236 1073201684 /nfs/dbraw/zinc/20/16/84/1073201684.db2.gz JISPXXBZQXOGRI-IBGZPJMESA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000673288236 1073201676 /nfs/dbraw/zinc/20/16/76/1073201676.db2.gz JISPXXBZQXOGRI-IBGZPJMESA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000673288238 1073201824 /nfs/dbraw/zinc/20/18/24/1073201824.db2.gz JISPXXBZQXOGRI-LJQANCHMSA-N 1 2 429.521 -0.708 20 0 IBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000673288238 1073201818 /nfs/dbraw/zinc/20/18/18/1073201818.db2.gz JISPXXBZQXOGRI-LJQANCHMSA-N 1 2 429.521 -0.708 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)no1 ZINC000673299248 1073202364 /nfs/dbraw/zinc/20/23/64/1073202364.db2.gz AVHSATUAPTWYCD-INIZCTEOSA-N 1 2 441.492 -0.144 20 0 IBADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)no1 ZINC000673299259 1073202302 /nfs/dbraw/zinc/20/23/02/1073202302.db2.gz AVHSATUAPTWYCD-MRXNPFEDSA-N 1 2 441.492 -0.144 20 0 IBADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000673301628 1073202247 /nfs/dbraw/zinc/20/22/47/1073202247.db2.gz XSZWSSAOLSLZTR-HNNXBMFYSA-N 1 2 448.505 -0.561 20 0 IBADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000673301636 1073202272 /nfs/dbraw/zinc/20/22/72/1073202272.db2.gz XSZWSSAOLSLZTR-OAHLLOKOSA-N 1 2 448.505 -0.561 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000673301655 1073202385 /nfs/dbraw/zinc/20/23/85/1073202385.db2.gz MBXGEBDFZZHQTO-CVEARBPZSA-N 1 2 425.493 -0.183 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000673301658 1073202334 /nfs/dbraw/zinc/20/23/34/1073202334.db2.gz MBXGEBDFZZHQTO-HOTGVXAUSA-N 1 2 425.493 -0.183 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000673301659 1073202797 /nfs/dbraw/zinc/20/27/97/1073202797.db2.gz MBXGEBDFZZHQTO-HZPDHXFCSA-N 1 2 425.493 -0.183 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000673301660 1073202769 /nfs/dbraw/zinc/20/27/69/1073202769.db2.gz MBXGEBDFZZHQTO-JKSUJKDBSA-N 1 2 425.493 -0.183 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN1c1nccn2cnnc12 ZINC000673301993 1073202890 /nfs/dbraw/zinc/20/28/90/1073202890.db2.gz PMMPVHWSOUHZOH-CVEARBPZSA-N 1 2 435.492 -0.049 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN1c1nccn2cnnc12 ZINC000673301995 1073202730 /nfs/dbraw/zinc/20/27/30/1073202730.db2.gz PMMPVHWSOUHZOH-HOTGVXAUSA-N 1 2 435.492 -0.049 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN1c1nccn2cnnc12 ZINC000673301997 1073203317 /nfs/dbraw/zinc/20/33/17/1073203317.db2.gz PMMPVHWSOUHZOH-HZPDHXFCSA-N 1 2 435.492 -0.049 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN1c1nccn2cnnc12 ZINC000673301998 1073203196 /nfs/dbraw/zinc/20/31/96/1073203196.db2.gz PMMPVHWSOUHZOH-JKSUJKDBSA-N 1 2 435.492 -0.049 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302016 1073203229 /nfs/dbraw/zinc/20/32/29/1073203229.db2.gz PUKNLCJYIPCROU-MSOLQXFVSA-N 1 2 446.552 -0.538 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302019 1073203299 /nfs/dbraw/zinc/20/32/99/1073203299.db2.gz PUKNLCJYIPCROU-QZTJIDSGSA-N 1 2 446.552 -0.538 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302020 1073203271 /nfs/dbraw/zinc/20/32/71/1073203271.db2.gz PUKNLCJYIPCROU-ROUUACIJSA-N 1 2 446.552 -0.538 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302022 1073203263 /nfs/dbraw/zinc/20/32/63/1073203263.db2.gz PUKNLCJYIPCROU-ZWKOTPCHSA-N 1 2 446.552 -0.538 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673302161 1073202240 /nfs/dbraw/zinc/20/22/40/1073202240.db2.gz LUYYTQDUEZQEEW-HNNXBMFYSA-N 1 2 429.481 -0.350 20 0 IBADLO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673302162 1073202285 /nfs/dbraw/zinc/20/22/85/1073202285.db2.gz LUYYTQDUEZQEEW-OAHLLOKOSA-N 1 2 429.481 -0.350 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1)N1CCCCC1 ZINC000673302509 1073202812 /nfs/dbraw/zinc/20/28/12/1073202812.db2.gz PLSKNEZRSZDBTL-GOSISDBHSA-N 1 2 428.537 -0.067 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1)N1CCCCC1 ZINC000673302510 1073202751 /nfs/dbraw/zinc/20/27/51/1073202751.db2.gz PLSKNEZRSZDBTL-SFHVURJKSA-N 1 2 428.537 -0.067 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302923 1073202740 /nfs/dbraw/zinc/20/27/40/1073202740.db2.gz ZTDRLWRPUGGSPP-MSOLQXFVSA-N 1 2 428.537 -0.068 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302924 1073202908 /nfs/dbraw/zinc/20/29/08/1073202908.db2.gz ZTDRLWRPUGGSPP-QZTJIDSGSA-N 1 2 428.537 -0.068 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302925 1073202788 /nfs/dbraw/zinc/20/27/88/1073202788.db2.gz ZTDRLWRPUGGSPP-ROUUACIJSA-N 1 2 428.537 -0.068 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302926 1073202717 /nfs/dbraw/zinc/20/27/17/1073202717.db2.gz ZTDRLWRPUGGSPP-ZWKOTPCHSA-N 1 2 428.537 -0.068 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000673328320 1073203897 /nfs/dbraw/zinc/20/38/97/1073203897.db2.gz KKJVRVSPISWVPR-CABCVRRESA-N 1 2 425.917 -0.419 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000673328321 1073203748 /nfs/dbraw/zinc/20/37/48/1073203748.db2.gz KKJVRVSPISWVPR-GJZGRUSLSA-N 1 2 425.917 -0.419 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000673328322 1073203830 /nfs/dbraw/zinc/20/38/30/1073203830.db2.gz KKJVRVSPISWVPR-HUUCEWRRSA-N 1 2 425.917 -0.419 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000673328323 1073203950 /nfs/dbraw/zinc/20/39/50/1073203950.db2.gz KKJVRVSPISWVPR-LSDHHAIUSA-N 1 2 425.917 -0.419 20 0 IBADLO Cc1nc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C(=O)NCCO)n1C ZINC000673426312 1073211811 /nfs/dbraw/zinc/21/18/11/1073211811.db2.gz BMFDFJCXFLADIS-UHFFFAOYSA-N 1 2 443.508 -0.087 20 0 IBADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000673452309 1073214723 /nfs/dbraw/zinc/21/47/23/1073214723.db2.gz QRQYMEZENGXJQN-CVEARBPZSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000673452309 1073214717 /nfs/dbraw/zinc/21/47/17/1073214717.db2.gz QRQYMEZENGXJQN-CVEARBPZSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000673452313 1073214771 /nfs/dbraw/zinc/21/47/71/1073214771.db2.gz QRQYMEZENGXJQN-HOTGVXAUSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000673452313 1073214768 /nfs/dbraw/zinc/21/47/68/1073214768.db2.gz QRQYMEZENGXJQN-HOTGVXAUSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000673452315 1073214686 /nfs/dbraw/zinc/21/46/86/1073214686.db2.gz QRQYMEZENGXJQN-HZPDHXFCSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000673452315 1073214678 /nfs/dbraw/zinc/21/46/78/1073214678.db2.gz QRQYMEZENGXJQN-HZPDHXFCSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000673452316 1073214790 /nfs/dbraw/zinc/21/47/90/1073214790.db2.gz QRQYMEZENGXJQN-JKSUJKDBSA-N 1 2 430.477 -0.166 20 0 IBADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000673452316 1073214782 /nfs/dbraw/zinc/21/47/82/1073214782.db2.gz QRQYMEZENGXJQN-JKSUJKDBSA-N 1 2 430.477 -0.166 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000673501415 1073217432 /nfs/dbraw/zinc/21/74/32/1073217432.db2.gz IXFHXJWEFXGOCH-DLBZAZTESA-N 1 2 432.525 -0.650 20 0 IBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000673501420 1073217206 /nfs/dbraw/zinc/21/72/06/1073217206.db2.gz IXFHXJWEFXGOCH-IAGOWNOFSA-N 1 2 432.525 -0.650 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000673501422 1073217397 /nfs/dbraw/zinc/21/73/97/1073217397.db2.gz IXFHXJWEFXGOCH-IRXDYDNUSA-N 1 2 432.525 -0.650 20 0 IBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000673501423 1073217814 /nfs/dbraw/zinc/21/78/14/1073217814.db2.gz IXFHXJWEFXGOCH-SJORKVTESA-N 1 2 432.525 -0.650 20 0 IBADLO Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000673621090 1073235642 /nfs/dbraw/zinc/23/56/42/1073235642.db2.gz ZAVIBQCPUYZFKG-UHFFFAOYSA-N 1 2 438.488 -0.309 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000673637782 1073237705 /nfs/dbraw/zinc/23/77/05/1073237705.db2.gz SFKCMZBAZVLALF-UHFFFAOYSA-N 1 2 448.505 -0.582 20 0 IBADLO Cc1cccn2cc(CCNC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)[nH+]c12 ZINC000673778734 1073244878 /nfs/dbraw/zinc/24/48/78/1073244878.db2.gz ZDEXLTHYUIAQFY-UHFFFAOYSA-N 1 2 428.493 -0.102 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)[nH+]c12 ZINC000673789499 1073244820 /nfs/dbraw/zinc/24/48/20/1073244820.db2.gz WJLKCUNVBLKRKA-UHFFFAOYSA-N 1 2 435.444 -0.114 20 0 IBADLO CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000673826464 1073246296 /nfs/dbraw/zinc/24/62/96/1073246296.db2.gz IPVVIDORHUZAJY-UHFFFAOYSA-N 1 2 442.520 -0.934 20 0 IBADLO CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000673858517 1073247277 /nfs/dbraw/zinc/24/72/77/1073247277.db2.gz HUFNODDCGDOOLU-UHFFFAOYSA-N 1 2 444.500 -0.653 20 0 IBADLO CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000673858517 1073247269 /nfs/dbraw/zinc/24/72/69/1073247269.db2.gz HUFNODDCGDOOLU-UHFFFAOYSA-N 1 2 444.500 -0.653 20 0 IBADLO CC(C)(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000674029809 1073257593 /nfs/dbraw/zinc/25/75/93/1073257593.db2.gz SUTVQCXOEMXDGU-UHFFFAOYSA-N 1 2 447.583 -0.344 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)S(C)(=O)=O ZINC000674037476 1073258164 /nfs/dbraw/zinc/25/81/64/1073258164.db2.gz XIFGUBOYCZKBKY-UHFFFAOYSA-N 1 2 426.543 -0.032 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)S(C)(=O)=O ZINC000674037476 1073258160 /nfs/dbraw/zinc/25/81/60/1073258160.db2.gz XIFGUBOYCZKBKY-UHFFFAOYSA-N 1 2 426.543 -0.032 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000674136183 1073260412 /nfs/dbraw/zinc/26/04/12/1073260412.db2.gz KVVCPTDRDWWCQM-HNNXBMFYSA-N 1 2 434.522 -0.008 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261965 /nfs/dbraw/zinc/26/19/65/1073261965.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261957 /nfs/dbraw/zinc/26/19/57/1073261957.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261944 /nfs/dbraw/zinc/26/19/44/1073261944.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261933 /nfs/dbraw/zinc/26/19/33/1073261933.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 1 2 426.605 -0.970 20 0 IBADLO CSc1ccncc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000674269156 1073262469 /nfs/dbraw/zinc/26/24/69/1073262469.db2.gz OCLSGGGCQCGUCQ-UHFFFAOYSA-N 1 2 442.567 -0.622 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000674282847 1073262911 /nfs/dbraw/zinc/26/29/11/1073262911.db2.gz PBUUGVRWBVRRAF-UHFFFAOYSA-N 1 2 427.487 -0.556 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000674284439 1073262923 /nfs/dbraw/zinc/26/29/23/1073262923.db2.gz IVUUDNXSSNIHOD-UHFFFAOYSA-N 1 2 427.487 -0.556 20 0 IBADLO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CC[NH+](CCO)CC1 ZINC000674323136 1073262997 /nfs/dbraw/zinc/26/29/97/1073262997.db2.gz JCRIYPNWSDYUHD-SFHVURJKSA-N 1 2 427.523 -0.103 20 0 IBADLO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000674476487 1073267119 /nfs/dbraw/zinc/26/71/19/1073267119.db2.gz ZAZTYDHFMSAKEU-UHFFFAOYSA-N 1 2 437.566 -0.134 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000674479824 1073267505 /nfs/dbraw/zinc/26/75/05/1073267505.db2.gz VPIPPXIUCGYXEK-UHFFFAOYSA-N 1 2 436.534 -0.046 20 0 IBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000674495128 1073268494 /nfs/dbraw/zinc/26/84/94/1073268494.db2.gz HAMRPISZXLHKHV-CALCHBBNSA-N 1 2 445.520 -0.004 20 0 IBADLO CC(C)CN(C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000674495128 1073268489 /nfs/dbraw/zinc/26/84/89/1073268489.db2.gz HAMRPISZXLHKHV-CALCHBBNSA-N 1 2 445.520 -0.004 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674495653 1073268935 /nfs/dbraw/zinc/26/89/35/1073268935.db2.gz MYFMTLUFWHFOIS-MCIONIFRSA-N 1 2 427.502 -0.873 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674495653 1073268928 /nfs/dbraw/zinc/26/89/28/1073268928.db2.gz MYFMTLUFWHFOIS-MCIONIFRSA-N 1 2 427.502 -0.873 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674495663 1073268549 /nfs/dbraw/zinc/26/85/49/1073268549.db2.gz MYFMTLUFWHFOIS-MELADBBJSA-N 1 2 427.502 -0.873 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674495663 1073268543 /nfs/dbraw/zinc/26/85/43/1073268543.db2.gz MYFMTLUFWHFOIS-MELADBBJSA-N 1 2 427.502 -0.873 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495727 1073268916 /nfs/dbraw/zinc/26/89/16/1073268916.db2.gz JVYGPVSKKYNSDM-AWEZNQCLSA-N 1 2 432.568 -0.652 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495727 1073268911 /nfs/dbraw/zinc/26/89/11/1073268911.db2.gz JVYGPVSKKYNSDM-AWEZNQCLSA-N 1 2 432.568 -0.652 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495730 1073268866 /nfs/dbraw/zinc/26/88/66/1073268866.db2.gz JVYGPVSKKYNSDM-CQSZACIVSA-N 1 2 432.568 -0.652 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495730 1073268860 /nfs/dbraw/zinc/26/88/60/1073268860.db2.gz JVYGPVSKKYNSDM-CQSZACIVSA-N 1 2 432.568 -0.652 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496329 1073268574 /nfs/dbraw/zinc/26/85/74/1073268574.db2.gz PZEKVQUNVZXKHI-KBPBESRZSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496329 1073268571 /nfs/dbraw/zinc/26/85/71/1073268571.db2.gz PZEKVQUNVZXKHI-KBPBESRZSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496332 1073268512 /nfs/dbraw/zinc/26/85/12/1073268512.db2.gz PZEKVQUNVZXKHI-KGLIPLIRSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496332 1073268509 /nfs/dbraw/zinc/26/85/09/1073268509.db2.gz PZEKVQUNVZXKHI-KGLIPLIRSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674496335 1073268646 /nfs/dbraw/zinc/26/86/46/1073268646.db2.gz PZEKVQUNVZXKHI-UONOGXRCSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674496335 1073268641 /nfs/dbraw/zinc/26/86/41/1073268641.db2.gz PZEKVQUNVZXKHI-UONOGXRCSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496337 1073268666 /nfs/dbraw/zinc/26/86/66/1073268666.db2.gz PZEKVQUNVZXKHI-ZIAGYGMSSA-N 1 2 432.568 -0.133 20 0 IBADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000674496337 1073268661 /nfs/dbraw/zinc/26/86/61/1073268661.db2.gz PZEKVQUNVZXKHI-ZIAGYGMSSA-N 1 2 432.568 -0.133 20 0 IBADLO CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000674497809 1073269032 /nfs/dbraw/zinc/26/90/32/1073269032.db2.gz LEJNKQSHOQKGNC-IYBDPMFKSA-N 1 2 431.493 -0.250 20 0 IBADLO CCCN(C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000674497809 1073269025 /nfs/dbraw/zinc/26/90/25/1073269025.db2.gz LEJNKQSHOQKGNC-IYBDPMFKSA-N 1 2 431.493 -0.250 20 0 IBADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000674499227 1073268978 /nfs/dbraw/zinc/26/89/78/1073268978.db2.gz ZUTONGIJSHLPHC-BHYGNILZSA-N 1 2 427.523 -0.230 20 0 IBADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000674499227 1073268972 /nfs/dbraw/zinc/26/89/72/1073268972.db2.gz ZUTONGIJSHLPHC-BHYGNILZSA-N 1 2 427.523 -0.230 20 0 IBADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000674499228 1073269002 /nfs/dbraw/zinc/26/90/02/1073269002.db2.gz ZUTONGIJSHLPHC-OIISXLGYSA-N 1 2 427.523 -0.230 20 0 IBADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000674499228 1073268998 /nfs/dbraw/zinc/26/89/98/1073268998.db2.gz ZUTONGIJSHLPHC-OIISXLGYSA-N 1 2 427.523 -0.230 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501056 1073268101 /nfs/dbraw/zinc/26/81/01/1073268101.db2.gz HVDIHKSXBKYXDK-IOASZLSFSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501056 1073268097 /nfs/dbraw/zinc/26/80/97/1073268097.db2.gz HVDIHKSXBKYXDK-IOASZLSFSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501058 1073268138 /nfs/dbraw/zinc/26/81/38/1073268138.db2.gz HVDIHKSXBKYXDK-WWGRRREGSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501058 1073268135 /nfs/dbraw/zinc/26/81/35/1073268135.db2.gz HVDIHKSXBKYXDK-WWGRRREGSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501060 1073267992 /nfs/dbraw/zinc/26/79/92/1073267992.db2.gz HVDIHKSXBKYXDK-XEZPLFJOSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501060 1073267989 /nfs/dbraw/zinc/26/79/89/1073267989.db2.gz HVDIHKSXBKYXDK-XEZPLFJOSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501061 1073268168 /nfs/dbraw/zinc/26/81/68/1073268168.db2.gz HVDIHKSXBKYXDK-ZENOOKHLSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501061 1073268164 /nfs/dbraw/zinc/26/81/64/1073268164.db2.gz HVDIHKSXBKYXDK-ZENOOKHLSA-N 1 2 437.522 -0.132 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000674501265 1073267627 /nfs/dbraw/zinc/26/76/27/1073267627.db2.gz JGKKBYJWVZWTPV-KRWDZBQOSA-N 1 2 449.533 -0.512 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000674501265 1073267624 /nfs/dbraw/zinc/26/76/24/1073267624.db2.gz JGKKBYJWVZWTPV-KRWDZBQOSA-N 1 2 449.533 -0.512 20 0 IBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000674501266 1073267528 /nfs/dbraw/zinc/26/75/28/1073267528.db2.gz JGKKBYJWVZWTPV-QGZVFWFLSA-N 1 2 449.533 -0.512 20 0 IBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000674501266 1073267520 /nfs/dbraw/zinc/26/75/20/1073267520.db2.gz JGKKBYJWVZWTPV-QGZVFWFLSA-N 1 2 449.533 -0.512 20 0 IBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000674501269 1073267654 /nfs/dbraw/zinc/26/76/54/1073267654.db2.gz JIXYBBNGMCQEBA-GOSISDBHSA-N 1 2 443.504 -0.257 20 0 IBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000674501269 1073267651 /nfs/dbraw/zinc/26/76/51/1073267651.db2.gz JIXYBBNGMCQEBA-GOSISDBHSA-N 1 2 443.504 -0.257 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000674501270 1073268055 /nfs/dbraw/zinc/26/80/55/1073268055.db2.gz JIXYBBNGMCQEBA-SFHVURJKSA-N 1 2 443.504 -0.257 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000674501270 1073268050 /nfs/dbraw/zinc/26/80/50/1073268050.db2.gz JIXYBBNGMCQEBA-SFHVURJKSA-N 1 2 443.504 -0.257 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501978 1073268121 /nfs/dbraw/zinc/26/81/21/1073268121.db2.gz QBCHIDHZNLCRSY-BBRMVZONSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501978 1073268117 /nfs/dbraw/zinc/26/81/17/1073268117.db2.gz QBCHIDHZNLCRSY-BBRMVZONSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501979 1073268071 /nfs/dbraw/zinc/26/80/71/1073268071.db2.gz QBCHIDHZNLCRSY-CJNGLKHVSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501979 1073268069 /nfs/dbraw/zinc/26/80/69/1073268069.db2.gz QBCHIDHZNLCRSY-CJNGLKHVSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501980 1073268084 /nfs/dbraw/zinc/26/80/84/1073268084.db2.gz QBCHIDHZNLCRSY-CZUORRHYSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501980 1073268082 /nfs/dbraw/zinc/26/80/82/1073268082.db2.gz QBCHIDHZNLCRSY-CZUORRHYSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501981 1073268109 /nfs/dbraw/zinc/26/81/09/1073268109.db2.gz QBCHIDHZNLCRSY-XJKSGUPXSA-N 1 2 437.522 -0.651 20 0 IBADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501981 1073268107 /nfs/dbraw/zinc/26/81/07/1073268107.db2.gz QBCHIDHZNLCRSY-XJKSGUPXSA-N 1 2 437.522 -0.651 20 0 IBADLO CC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000674585742 1073270949 /nfs/dbraw/zinc/27/09/49/1073270949.db2.gz LILCXFOZCLNGGA-KRWDZBQOSA-N 1 2 445.520 -0.234 20 0 IBADLO CC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000674585743 1073270909 /nfs/dbraw/zinc/27/09/09/1073270909.db2.gz LILCXFOZCLNGGA-QGZVFWFLSA-N 1 2 445.520 -0.234 20 0 IBADLO CN(CCN1CCCS1(=O)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000674622271 1073271515 /nfs/dbraw/zinc/27/15/15/1073271515.db2.gz PENBVWOOKLFJDO-UHFFFAOYSA-N 1 2 438.554 -0.203 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674639126 1073271880 /nfs/dbraw/zinc/27/18/80/1073271880.db2.gz OTHRYLLRWMXTKI-RBZFPXEDSA-N 1 2 441.496 -0.085 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639127 1073272036 /nfs/dbraw/zinc/27/20/36/1073272036.db2.gz OTHRYLLRWMXTKI-RNODOKPDSA-N 1 2 441.496 -0.085 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674639128 1073271922 /nfs/dbraw/zinc/27/19/22/1073271922.db2.gz OTHRYLLRWMXTKI-XCLFUZPHSA-N 1 2 441.496 -0.085 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639129 1073272030 /nfs/dbraw/zinc/27/20/30/1073272030.db2.gz OTHRYLLRWMXTKI-ZUOKHONESA-N 1 2 441.496 -0.085 20 0 IBADLO Cc1c[nH+]c(N(C)CCN2CCCS2(=O)=O)nc1N(C)CCN1CCCS1(=O)=O ZINC000674747350 1073272850 /nfs/dbraw/zinc/27/28/50/1073272850.db2.gz BYPNXHBHCJYSDW-UHFFFAOYSA-N 1 2 446.599 -0.272 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@H](CS(N)(=O)=O)C2)nc1N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000674747636 1073272829 /nfs/dbraw/zinc/27/28/29/1073272829.db2.gz MKIOOZICQOLEFE-CABCVRRESA-N 1 2 446.599 -0.205 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@H](CS(N)(=O)=O)C2)nc1N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000674747637 1073272781 /nfs/dbraw/zinc/27/27/81/1073272781.db2.gz MKIOOZICQOLEFE-GJZGRUSLSA-N 1 2 446.599 -0.205 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@@H](CS(N)(=O)=O)C2)nc1N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000674747638 1073272807 /nfs/dbraw/zinc/27/28/07/1073272807.db2.gz MKIOOZICQOLEFE-HUUCEWRRSA-N 1 2 446.599 -0.205 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@@H](CS(N)(=O)=O)C2)nc1N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000674747639 1073272872 /nfs/dbraw/zinc/27/28/72/1073272872.db2.gz MKIOOZICQOLEFE-LSDHHAIUSA-N 1 2 446.599 -0.205 20 0 IBADLO CCN1C(=O)[C@@H]2CN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000675095965 1073275046 /nfs/dbraw/zinc/27/50/46/1073275046.db2.gz IJTDSAAISRCXDO-INIZCTEOSA-N 1 2 443.508 -0.202 20 0 IBADLO CCN1C(=O)[C@H]2CN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000675095966 1073275082 /nfs/dbraw/zinc/27/50/82/1073275082.db2.gz IJTDSAAISRCXDO-MRXNPFEDSA-N 1 2 443.508 -0.202 20 0 IBADLO CNc1nc(N2CCC[C@H](N3CCNC3=O)C2)[nH+]c(N2CCC[C@H](N3CCNC3=O)C2)n1 ZINC000675143177 1073275993 /nfs/dbraw/zinc/27/59/93/1073275993.db2.gz UFGLLRBDTLZZBX-GJZGRUSLSA-N 1 2 444.544 -0.677 20 0 IBADLO CNc1nc(N2CCC[C@@H](N3CCNC3=O)C2)[nH+]c(N2CCC[C@@H](N3CCNC3=O)C2)n1 ZINC000675143178 1073275850 /nfs/dbraw/zinc/27/58/50/1073275850.db2.gz UFGLLRBDTLZZBX-HUUCEWRRSA-N 1 2 444.544 -0.677 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675207854 1073276840 /nfs/dbraw/zinc/27/68/40/1073276840.db2.gz CMGDWVZCJRLQSR-INIZCTEOSA-N 1 2 434.497 -0.996 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675207855 1073276784 /nfs/dbraw/zinc/27/67/84/1073276784.db2.gz CMGDWVZCJRLQSR-MRXNPFEDSA-N 1 2 434.497 -0.996 20 0 IBADLO O=C(Cn1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1)N1CCOCC1 ZINC000675209188 1073277208 /nfs/dbraw/zinc/27/72/08/1073277208.db2.gz PFNMEXVUTZOFSF-UHFFFAOYSA-N 1 2 426.477 -0.188 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)[nH+]c12 ZINC000675210216 1073277190 /nfs/dbraw/zinc/27/71/90/1073277190.db2.gz UPSFBAQRWVIEIX-UHFFFAOYSA-N 1 2 439.476 -0.005 20 0 IBADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675263184 1073277270 /nfs/dbraw/zinc/27/72/70/1073277270.db2.gz WYIANIKIRCIDFY-UHFFFAOYSA-N 1 2 432.481 -0.025 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675280059 1073277606 /nfs/dbraw/zinc/27/76/06/1073277606.db2.gz CAIIBSZJFYOEHB-INIZCTEOSA-N 1 2 426.539 -0.188 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675280060 1073277673 /nfs/dbraw/zinc/27/76/73/1073277673.db2.gz CAIIBSZJFYOEHB-MRXNPFEDSA-N 1 2 426.539 -0.188 20 0 IBADLO CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000675517957 1073280270 /nfs/dbraw/zinc/28/02/70/1073280270.db2.gz QBKMIXJZYJBECH-HNNXBMFYSA-N 1 2 430.509 -0.067 20 0 IBADLO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000675517966 1073280324 /nfs/dbraw/zinc/28/03/24/1073280324.db2.gz QBKMIXJZYJBECH-OAHLLOKOSA-N 1 2 430.509 -0.067 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cn1)N1CCOCC1 ZINC000675591172 1073282227 /nfs/dbraw/zinc/28/22/27/1073282227.db2.gz VUHJNHFQFFXEDT-UHFFFAOYSA-N 1 2 426.477 -0.188 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675594265 1073282570 /nfs/dbraw/zinc/28/25/70/1073282570.db2.gz FWPRXMLRYOSPHN-KRWDZBQOSA-N 1 2 434.497 -0.996 20 0 IBADLO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675594266 1073282664 /nfs/dbraw/zinc/28/26/64/1073282664.db2.gz FWPRXMLRYOSPHN-QGZVFWFLSA-N 1 2 434.497 -0.996 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cn1 ZINC000675595294 1073282591 /nfs/dbraw/zinc/28/25/91/1073282591.db2.gz FQAFPXCNLDYYRW-UHFFFAOYSA-N 1 2 427.465 -0.101 20 0 IBADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[nH+]c12 ZINC000675596363 1073282638 /nfs/dbraw/zinc/28/26/38/1073282638.db2.gz OQUZYBZJEOPSOT-UHFFFAOYSA-N 1 2 439.476 -0.005 20 0 IBADLO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)CCN2C1=O ZINC000675600294 1073283641 /nfs/dbraw/zinc/28/36/41/1073283641.db2.gz KCWAXVRKBLPCCS-GOSISDBHSA-N 1 2 442.520 -0.133 20 0 IBADLO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)CCN2C1=O ZINC000675600302 1073283342 /nfs/dbraw/zinc/28/33/42/1073283342.db2.gz KCWAXVRKBLPCCS-SFHVURJKSA-N 1 2 442.520 -0.133 20 0 IBADLO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000675608305 1073282277 /nfs/dbraw/zinc/28/22/77/1073282277.db2.gz PFOGMHPQYWXCHK-INIZCTEOSA-N 1 2 429.477 -0.335 20 0 IBADLO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000675608306 1073282251 /nfs/dbraw/zinc/28/22/51/1073282251.db2.gz PFOGMHPQYWXCHK-MRXNPFEDSA-N 1 2 429.477 -0.335 20 0 IBADLO CN(C)S(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000675737638 1073285768 /nfs/dbraw/zinc/28/57/68/1073285768.db2.gz GHWOMOCMOBLRTK-UHFFFAOYSA-N 1 2 438.554 -0.539 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000676100795 1073289618 /nfs/dbraw/zinc/28/96/18/1073289618.db2.gz NPONXOSNVXTWQY-UHFFFAOYSA-N 1 2 449.537 -0.153 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000676264921 1073292756 /nfs/dbraw/zinc/29/27/56/1073292756.db2.gz JNYSVHXJKDXDEL-UHFFFAOYSA-N 1 2 440.526 -0.884 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000676265080 1073292156 /nfs/dbraw/zinc/29/21/56/1073292156.db2.gz OJXSMOPOFJGUCQ-AWEZNQCLSA-N 1 2 425.511 -0.295 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000676265085 1073292380 /nfs/dbraw/zinc/29/23/80/1073292380.db2.gz OJXSMOPOFJGUCQ-CQSZACIVSA-N 1 2 425.511 -0.295 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000676265628 1073292838 /nfs/dbraw/zinc/29/28/38/1073292838.db2.gz VFAJXLSMJKNDMP-UHFFFAOYSA-N 1 2 427.527 -0.001 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000676270308 1073292851 /nfs/dbraw/zinc/29/28/51/1073292851.db2.gz ORFYBJDPBIBFAG-UHFFFAOYSA-N 1 2 426.543 -0.075 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000676271261 1073292646 /nfs/dbraw/zinc/29/26/46/1073292646.db2.gz DZTSBTHQXMPGRJ-UHFFFAOYSA-N 1 2 425.511 -0.293 20 0 IBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000676272929 1073292622 /nfs/dbraw/zinc/29/26/22/1073292622.db2.gz PKXAWLHZMPETSH-UHFFFAOYSA-N 1 2 425.511 -0.341 20 0 IBADLO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)CCN2C1=O ZINC000676274275 1073293444 /nfs/dbraw/zinc/29/34/44/1073293444.db2.gz YJPGBFYCPLGYDZ-HNNXBMFYSA-N 1 2 430.465 -0.340 20 0 IBADLO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)CCN2C1=O ZINC000676274315 1073293277 /nfs/dbraw/zinc/29/32/77/1073293277.db2.gz YJPGBFYCPLGYDZ-OAHLLOKOSA-N 1 2 430.465 -0.340 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000676292769 1073295336 /nfs/dbraw/zinc/29/53/36/1073295336.db2.gz PRXDDVYRHUERSH-UHFFFAOYSA-N 1 2 431.541 -0.464 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000676390307 1073296437 /nfs/dbraw/zinc/29/64/37/1073296437.db2.gz WSGPPTLLJKRXNC-AWEZNQCLSA-N 1 2 430.552 -0.404 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000676390309 1073296398 /nfs/dbraw/zinc/29/63/98/1073296398.db2.gz WSGPPTLLJKRXNC-CQSZACIVSA-N 1 2 430.552 -0.404 20 0 IBADLO COCCNc1nc(N(C)CC(=O)N2CCCC2)[nH+]c(N(C)CC(=O)N2CCCC2)n1 ZINC000676490802 1073297680 /nfs/dbraw/zinc/29/76/80/1073297680.db2.gz RLZVQMMOMQQUHR-UHFFFAOYSA-N 1 2 434.545 -0.531 20 0 IBADLO COCCNc1nc(N(C)CC(=O)N2CCCC2)nc(N(C)CC(=O)N2CCCC2)[nH+]1 ZINC000676490802 1073297672 /nfs/dbraw/zinc/29/76/72/1073297672.db2.gz RLZVQMMOMQQUHR-UHFFFAOYSA-N 1 2 434.545 -0.531 20 0 IBADLO Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000676545998 1073298658 /nfs/dbraw/zinc/29/86/58/1073298658.db2.gz ASHAJGHOZXEDJP-UHFFFAOYSA-N 1 2 443.508 -0.523 20 0 IBADLO Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000676546249 1073298750 /nfs/dbraw/zinc/29/87/50/1073298750.db2.gz XUWZBNKFJMWETJ-UHFFFAOYSA-N 1 2 443.508 -0.523 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000676546398 1073298839 /nfs/dbraw/zinc/29/88/39/1073298839.db2.gz BRNODIKORCQDSZ-UHFFFAOYSA-N 1 2 447.540 -0.096 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000676546454 1073298823 /nfs/dbraw/zinc/29/88/23/1073298823.db2.gz HEWCUCMIFGGRAL-UHFFFAOYSA-N 1 2 447.540 -0.096 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676546615 1073299521 /nfs/dbraw/zinc/29/95/21/1073299521.db2.gz JZEOJFDAKWDGFF-UHFFFAOYSA-N 1 2 433.513 -0.486 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676546712 1073299434 /nfs/dbraw/zinc/29/94/34/1073299434.db2.gz NNBJESLFNMPKFQ-UHFFFAOYSA-N 1 2 433.513 -0.486 20 0 IBADLO O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676548530 1073299478 /nfs/dbraw/zinc/29/94/78/1073299478.db2.gz AZNMYKMIYDBAEW-UHFFFAOYSA-N 1 2 426.477 -0.141 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000676739448 1073302489 /nfs/dbraw/zinc/30/24/89/1073302489.db2.gz VIRTZTWFAZHSFY-INIZCTEOSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000676739448 1073302481 /nfs/dbraw/zinc/30/24/81/1073302481.db2.gz VIRTZTWFAZHSFY-INIZCTEOSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000676739454 1073302521 /nfs/dbraw/zinc/30/25/21/1073302521.db2.gz VIRTZTWFAZHSFY-MRXNPFEDSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000676739454 1073302517 /nfs/dbraw/zinc/30/25/17/1073302517.db2.gz VIRTZTWFAZHSFY-MRXNPFEDSA-N 1 2 448.542 -0.718 20 0 IBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000676748886 1072728504 /nfs/dbraw/zinc/72/85/04/1072728504.db2.gz UNTQGGKVUCJEEE-AWEZNQCLSA-N 1 2 437.522 -0.837 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000676748887 1072728422 /nfs/dbraw/zinc/72/84/22/1072728422.db2.gz UNTQGGKVUCJEEE-CQSZACIVSA-N 1 2 437.522 -0.837 20 0 IBADLO Cc1nnc2n1C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000676802256 1072729423 /nfs/dbraw/zinc/72/94/23/1072729423.db2.gz XHVRYORSNMWYBJ-INIZCTEOSA-N 1 2 433.538 -0.188 20 0 IBADLO Cc1nnc2n1C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000676802257 1072729486 /nfs/dbraw/zinc/72/94/86/1072729486.db2.gz XHVRYORSNMWYBJ-MRXNPFEDSA-N 1 2 433.538 -0.188 20 0 IBADLO Cc1nc(N2CCN(CC(=O)N(C)C)CC2)cc(N2CCN(CC(=O)N(C)C)CC2)[nH+]1 ZINC000676876671 1072729547 /nfs/dbraw/zinc/72/95/47/1072729547.db2.gz BQWXGZZFGPQKFY-UHFFFAOYSA-N 1 2 432.573 -0.795 20 0 IBADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000676931508 1072730658 /nfs/dbraw/zinc/73/06/58/1072730658.db2.gz XIDFPLHREXAUET-CVEARBPZSA-N 1 2 446.595 -0.412 20 0 IBADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000676931509 1072730757 /nfs/dbraw/zinc/73/07/57/1072730757.db2.gz XIDFPLHREXAUET-HOTGVXAUSA-N 1 2 446.595 -0.412 20 0 IBADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000676931511 1072730702 /nfs/dbraw/zinc/73/07/02/1072730702.db2.gz XIDFPLHREXAUET-HZPDHXFCSA-N 1 2 446.595 -0.412 20 0 IBADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000676931512 1072730589 /nfs/dbraw/zinc/73/05/89/1072730589.db2.gz XIDFPLHREXAUET-JKSUJKDBSA-N 1 2 446.595 -0.412 20 0 IBADLO CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000677138309 1072731276 /nfs/dbraw/zinc/73/12/76/1072731276.db2.gz IIQUSNKLSBGVMV-UHFFFAOYSA-N 1 2 448.615 -0.657 20 0 IBADLO CCc1nn(C)c(CC)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000677257137 1072732767 /nfs/dbraw/zinc/73/27/67/1072732767.db2.gz CJFZEFZNGJVJNO-UHFFFAOYSA-N 1 2 441.602 -0.136 20 0 IBADLO CNC(=O)[C@H](CC(C)C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000677383228 1072733397 /nfs/dbraw/zinc/73/33/97/1072733397.db2.gz ZKNHPRMZVFKKJU-INIZCTEOSA-N 1 2 440.570 -0.007 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 ZINC000677456959 1072735034 /nfs/dbraw/zinc/73/50/34/1072735034.db2.gz CTTDNSPHHRFDAA-UHFFFAOYSA-N 1 2 428.511 -0.325 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@@H]3C)CC2)cc1 ZINC000677714934 1072736080 /nfs/dbraw/zinc/73/60/80/1072736080.db2.gz PIDNEXMVNHMGIG-HNNXBMFYSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@@H]3C)CC2)cc1 ZINC000677714934 1072736078 /nfs/dbraw/zinc/73/60/78/1072736078.db2.gz PIDNEXMVNHMGIG-HNNXBMFYSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@H]3C)CC2)cc1 ZINC000677714936 1072736063 /nfs/dbraw/zinc/73/60/63/1072736063.db2.gz PIDNEXMVNHMGIG-OAHLLOKOSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@H]3C)CC2)cc1 ZINC000677714936 1072736059 /nfs/dbraw/zinc/73/60/59/1072736059.db2.gz PIDNEXMVNHMGIG-OAHLLOKOSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000677715687 1072736787 /nfs/dbraw/zinc/73/67/87/1072736787.db2.gz RTVONUWWARLOTC-HNNXBMFYSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000677715687 1072736778 /nfs/dbraw/zinc/73/67/78/1072736778.db2.gz RTVONUWWARLOTC-HNNXBMFYSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000677715688 1072736722 /nfs/dbraw/zinc/73/67/22/1072736722.db2.gz RTVONUWWARLOTC-OAHLLOKOSA-N 1 2 436.534 -0.068 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000677715688 1072736718 /nfs/dbraw/zinc/73/67/18/1072736718.db2.gz RTVONUWWARLOTC-OAHLLOKOSA-N 1 2 436.534 -0.068 20 0 IBADLO O=C(CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1 ZINC000677933160 1072737260 /nfs/dbraw/zinc/73/72/60/1072737260.db2.gz ZMENUXWYGUZWMQ-MOPGFXCFSA-N 1 2 436.553 -0.203 20 0 IBADLO O=C(CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1 ZINC000677933161 1072737366 /nfs/dbraw/zinc/73/73/66/1072737366.db2.gz ZMENUXWYGUZWMQ-OALUTQOASA-N 1 2 436.553 -0.203 20 0 IBADLO O=C(CN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1 ZINC000677933162 1072737225 /nfs/dbraw/zinc/73/72/25/1072737225.db2.gz ZMENUXWYGUZWMQ-RBUKOAKNSA-N 1 2 436.553 -0.203 20 0 IBADLO O=C(CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1 ZINC000677933163 1072737045 /nfs/dbraw/zinc/73/70/45/1072737045.db2.gz ZMENUXWYGUZWMQ-RTBURBONSA-N 1 2 436.553 -0.203 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000677939927 1072737092 /nfs/dbraw/zinc/73/70/92/1072737092.db2.gz XFRHSFZTXAOPEV-WMLDXEAASA-N 1 2 427.523 -0.293 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000677939928 1072737173 /nfs/dbraw/zinc/73/71/73/1072737173.db2.gz XFRHSFZTXAOPEV-YOEHRIQHSA-N 1 2 427.523 -0.293 20 0 IBADLO COCC(=O)N1CCN(c2nc(N3CCN(C(=O)COC)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677955784 1072737920 /nfs/dbraw/zinc/73/79/20/1072737920.db2.gz UCLWOCLLWDAXII-UHFFFAOYSA-N 1 2 432.525 -0.056 20 0 IBADLO CS(=O)(=O)N1CCN(c2nc(N3CCN(S(C)(=O)=O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677955798 1072737681 /nfs/dbraw/zinc/73/76/81/1072737681.db2.gz UNTOYDQRKYPPBC-UHFFFAOYSA-N 1 2 444.583 -0.483 20 0 IBADLO CNS(=O)(=O)[C@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)c(C3CC3)c[nH+]2)C1 ZINC000677956941 1072737955 /nfs/dbraw/zinc/73/79/55/1072737955.db2.gz OIUYVGSPNSUUGA-KBPBESRZSA-N 1 2 444.583 -0.390 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)[nH+]cc2C2CC2)C1 ZINC000677956942 1072737870 /nfs/dbraw/zinc/73/78/70/1072737870.db2.gz OIUYVGSPNSUUGA-KGLIPLIRSA-N 1 2 444.583 -0.390 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)c(C3CC3)c[nH+]2)C1 ZINC000677956943 1072737750 /nfs/dbraw/zinc/73/77/50/1072737750.db2.gz OIUYVGSPNSUUGA-UONOGXRCSA-N 1 2 444.583 -0.390 20 0 IBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@@H](S(=O)(=O)NC)C3)c(C3CC3)c[nH+]2)C1 ZINC000677956944 1072737805 /nfs/dbraw/zinc/73/78/05/1072737805.db2.gz OIUYVGSPNSUUGA-ZIAGYGMSSA-N 1 2 444.583 -0.390 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2nc(N3CCN(C(=O)[C@H](C)O)CC3)[nH+]cc2C2CC2)CC1 ZINC000677957633 1072737990 /nfs/dbraw/zinc/73/79/90/1072737990.db2.gz RWWQCTWDMQNKDA-CABCVRRESA-N 1 2 432.525 -0.587 20 0 IBADLO C[C@H](O)C(=O)N1CCN(c2nc(N3CCN(C(=O)[C@H](C)O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677957634 1072737708 /nfs/dbraw/zinc/73/77/08/1072737708.db2.gz RWWQCTWDMQNKDA-GJZGRUSLSA-N 1 2 432.525 -0.587 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2nc(N3CCN(C(=O)[C@@H](C)O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677957635 1072737977 /nfs/dbraw/zinc/73/79/77/1072737977.db2.gz RWWQCTWDMQNKDA-HUUCEWRRSA-N 1 2 432.525 -0.587 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(c2nc(N3CCN(C(=O)[C@H](C)O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677957636 1072737904 /nfs/dbraw/zinc/73/79/04/1072737904.db2.gz RWWQCTWDMQNKDA-LSDHHAIUSA-N 1 2 432.525 -0.587 20 0 IBADLO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000677972132 1072738020 /nfs/dbraw/zinc/73/80/20/1072738020.db2.gz GWTFJQXVSVEMBQ-HNNXBMFYSA-N 1 2 431.493 -0.936 20 0 IBADLO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000677972133 1072738007 /nfs/dbraw/zinc/73/80/07/1072738007.db2.gz GWTFJQXVSVEMBQ-OAHLLOKOSA-N 1 2 431.493 -0.936 20 0 IBADLO CN(CC(=O)N1CCCC1)c1nc(N2CCOCC2)nc(N(C)CC(=O)N2CCCC2)[nH+]1 ZINC000678003132 1072738377 /nfs/dbraw/zinc/73/83/77/1072738377.db2.gz WJKJEXUYOISNFW-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO CN(CC(=O)N1CCCC1)c1nc(N(C)CC(=O)N2CCCC2)[nH+]c(N2CCOCC2)n1 ZINC000678003132 1072738361 /nfs/dbraw/zinc/73/83/61/1072738361.db2.gz WJKJEXUYOISNFW-UHFFFAOYSA-N 1 2 446.556 -0.175 20 0 IBADLO COCCN1CCN(c2nc(N3CCN(CCOC)C(=O)C3)c(C3CC3)c[nH+]2)CC1=O ZINC000678152331 1072739476 /nfs/dbraw/zinc/73/94/76/1072739476.db2.gz UOPQLIFOCUCVCF-UHFFFAOYSA-N 1 2 432.525 -0.056 20 0 IBADLO COCCN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000678210838 1072740110 /nfs/dbraw/zinc/74/01/10/1072740110.db2.gz YVJMYNSYVSYMQT-UHFFFAOYSA-N 1 2 431.493 -0.670 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000678545725 1072742525 /nfs/dbraw/zinc/74/25/25/1072742525.db2.gz WYSMXCJQAYTQPG-UHFFFAOYSA-N 1 2 429.485 -0.390 20 0 IBADLO CNC(=O)Cn1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000678545725 1072742515 /nfs/dbraw/zinc/74/25/15/1072742515.db2.gz WYSMXCJQAYTQPG-UHFFFAOYSA-N 1 2 429.485 -0.390 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCCc3nnnn3C)cc2)CC1 ZINC000678546274 1072742577 /nfs/dbraw/zinc/74/25/77/1072742577.db2.gz JIDGTTGNRITSAX-UHFFFAOYSA-N 1 2 444.540 -0.163 20 0 IBADLO Cn1c(=O)c(C(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000678627736 1072742456 /nfs/dbraw/zinc/74/24/56/1072742456.db2.gz GDOQEDHATVYCLI-KRWDZBQOSA-N 1 2 427.505 -0.233 20 0 IBADLO Cn1c(=O)c(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000678627737 1072742473 /nfs/dbraw/zinc/74/24/73/1072742473.db2.gz GDOQEDHATVYCLI-QGZVFWFLSA-N 1 2 427.505 -0.233 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000678677841 1072743933 /nfs/dbraw/zinc/74/39/33/1072743933.db2.gz LMOQPQFHUMUDAH-UHFFFAOYSA-N 1 2 430.553 -0.395 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000678678344 1072743988 /nfs/dbraw/zinc/74/39/88/1072743988.db2.gz QBHJPYNVJCYFGQ-UHFFFAOYSA-N 1 2 444.536 -0.755 20 0 IBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)CC1 ZINC000678680952 1072744917 /nfs/dbraw/zinc/74/49/17/1072744917.db2.gz FGGLFAYROBKXJX-UHFFFAOYSA-N 1 2 444.580 -0.005 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000678688159 1072745464 /nfs/dbraw/zinc/74/54/64/1072745464.db2.gz HWPRIOGZRXBOGN-UHFFFAOYSA-N 1 2 444.536 -0.579 20 0 IBADLO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000678702504 1072746517 /nfs/dbraw/zinc/74/65/17/1072746517.db2.gz YGLKTFGICQJFNQ-UHFFFAOYSA-N 1 2 431.493 -0.672 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)O1 ZINC000678754825 1072747018 /nfs/dbraw/zinc/74/70/18/1072747018.db2.gz OHOCPJUCKFZLTI-CRAIPNDOSA-N 1 2 445.520 -0.235 20 0 IBADLO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)O1 ZINC000678754831 1072746956 /nfs/dbraw/zinc/74/69/56/1072746956.db2.gz OHOCPJUCKFZLTI-MAUKXSAKSA-N 1 2 445.520 -0.235 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)O1 ZINC000678754832 1072746895 /nfs/dbraw/zinc/74/68/95/1072746895.db2.gz OHOCPJUCKFZLTI-QAPCUYQASA-N 1 2 445.520 -0.235 20 0 IBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)O1 ZINC000678754833 1072746997 /nfs/dbraw/zinc/74/69/97/1072746997.db2.gz OHOCPJUCKFZLTI-YJBOKZPZSA-N 1 2 445.520 -0.235 20 0 IBADLO CC1(C)CN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000679008309 1072748057 /nfs/dbraw/zinc/74/80/57/1072748057.db2.gz LVHJNJFCTMOBLP-UHFFFAOYSA-N 1 2 447.583 -0.521 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000679238424 1072749736 /nfs/dbraw/zinc/74/97/36/1072749736.db2.gz ZWISCZKJYVMKDF-INIZCTEOSA-N 1 2 443.522 -0.136 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000679238427 1072749768 /nfs/dbraw/zinc/74/97/68/1072749768.db2.gz ZWISCZKJYVMKDF-MRXNPFEDSA-N 1 2 443.522 -0.136 20 0 IBADLO Cc1[nH+]c(NCCN2CCCS2(=O)=O)nc(NCCN2CCCS2(=O)=O)c1F ZINC000679390890 1072750420 /nfs/dbraw/zinc/75/04/20/1072750420.db2.gz IOGNZYZAFMWSIO-UHFFFAOYSA-N 1 2 436.535 -0.181 20 0 IBADLO Cc1nc([C@@H]2COCCN2CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)no1 ZINC000679438262 1072751533 /nfs/dbraw/zinc/75/15/33/1072751533.db2.gz SQYAFHNILYLCIY-HNNXBMFYSA-N 1 2 427.469 -0.223 20 0 IBADLO Cc1nc([C@H]2COCCN2CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)no1 ZINC000679438263 1072751509 /nfs/dbraw/zinc/75/15/09/1072751509.db2.gz SQYAFHNILYLCIY-OAHLLOKOSA-N 1 2 427.469 -0.223 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000679516959 1072753140 /nfs/dbraw/zinc/75/31/40/1072753140.db2.gz CQNHKWLMTAPBOM-UHFFFAOYSA-N 1 2 427.465 -0.718 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000679781249 1072755408 /nfs/dbraw/zinc/75/54/08/1072755408.db2.gz BZAXMEDVLYGFCR-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000679781252 1072756139 /nfs/dbraw/zinc/75/61/39/1072756139.db2.gz BZAXMEDVLYGFCR-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000679781343 1072756045 /nfs/dbraw/zinc/75/60/45/1072756045.db2.gz BZAXMEDVLYGFCR-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000679781347 1072756116 /nfs/dbraw/zinc/75/61/16/1072756116.db2.gz BZAXMEDVLYGFCR-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000679785131 1072757064 /nfs/dbraw/zinc/75/70/64/1072757064.db2.gz XZJAGIBDJPSECT-AOIWGVFYSA-N 1 2 441.550 -0.763 20 0 IBADLO Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000679785135 1072756941 /nfs/dbraw/zinc/75/69/41/1072756941.db2.gz XZJAGIBDJPSECT-LMMKCTJWSA-N 1 2 441.550 -0.763 20 0 IBADLO Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000679785137 1072757155 /nfs/dbraw/zinc/75/71/55/1072757155.db2.gz XZJAGIBDJPSECT-LNLFQRSKSA-N 1 2 441.550 -0.763 20 0 IBADLO Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000679785139 1072757101 /nfs/dbraw/zinc/75/71/01/1072757101.db2.gz XZJAGIBDJPSECT-SCTDSRPQSA-N 1 2 441.550 -0.763 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000679785870 1072757202 /nfs/dbraw/zinc/75/72/02/1072757202.db2.gz RIUIXGYAMPWCCC-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000679785872 1072756955 /nfs/dbraw/zinc/75/69/55/1072756955.db2.gz RIUIXGYAMPWCCC-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000679785875 1072756988 /nfs/dbraw/zinc/75/69/88/1072756988.db2.gz RIUIXGYAMPWCCC-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000679786038 1072757860 /nfs/dbraw/zinc/75/78/60/1072757860.db2.gz RIUIXGYAMPWCCC-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000679789599 1072757804 /nfs/dbraw/zinc/75/78/04/1072757804.db2.gz AUJBMQZYZNPICH-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000679789599 1072757799 /nfs/dbraw/zinc/75/77/99/1072757799.db2.gz AUJBMQZYZNPICH-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000679789600 1072757584 /nfs/dbraw/zinc/75/75/84/1072757584.db2.gz AUJBMQZYZNPICH-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000679789600 1072757564 /nfs/dbraw/zinc/75/75/64/1072757564.db2.gz AUJBMQZYZNPICH-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000679789601 1072757632 /nfs/dbraw/zinc/75/76/32/1072757632.db2.gz AUJBMQZYZNPICH-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000679789601 1072757624 /nfs/dbraw/zinc/75/76/24/1072757624.db2.gz AUJBMQZYZNPICH-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000679789602 1072757704 /nfs/dbraw/zinc/75/77/04/1072757704.db2.gz AUJBMQZYZNPICH-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000679789602 1072757690 /nfs/dbraw/zinc/75/76/90/1072757690.db2.gz AUJBMQZYZNPICH-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000679793772 1072758754 /nfs/dbraw/zinc/75/87/54/1072758754.db2.gz DPPUCPWVUCSRJH-BXWFABGCSA-N 1 2 440.566 -0.429 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000679793773 1072758668 /nfs/dbraw/zinc/75/86/68/1072758668.db2.gz DPPUCPWVUCSRJH-FCEWJHQRSA-N 1 2 440.566 -0.429 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000679793774 1072758621 /nfs/dbraw/zinc/75/86/21/1072758621.db2.gz DPPUCPWVUCSRJH-GJYPPUQNSA-N 1 2 440.566 -0.429 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000679793775 1072759141 /nfs/dbraw/zinc/75/91/41/1072759141.db2.gz DPPUCPWVUCSRJH-MDZRGWNJSA-N 1 2 440.566 -0.429 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000679794664 1072759504 /nfs/dbraw/zinc/75/95/04/1072759504.db2.gz YYCMZAZIDDSOMY-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000679794664 1072759493 /nfs/dbraw/zinc/75/94/93/1072759493.db2.gz YYCMZAZIDDSOMY-DAYGRLMNSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000679794665 1072759409 /nfs/dbraw/zinc/75/94/09/1072759409.db2.gz YYCMZAZIDDSOMY-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000679794665 1072759401 /nfs/dbraw/zinc/75/94/01/1072759401.db2.gz YYCMZAZIDDSOMY-MPGHIAIKSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000679794666 1072759301 /nfs/dbraw/zinc/75/93/01/1072759301.db2.gz YYCMZAZIDDSOMY-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000679794666 1072759288 /nfs/dbraw/zinc/75/92/88/1072759288.db2.gz YYCMZAZIDDSOMY-RKVPGOIHSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000679794667 1072759172 /nfs/dbraw/zinc/75/91/72/1072759172.db2.gz YYCMZAZIDDSOMY-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000679794667 1072759167 /nfs/dbraw/zinc/75/91/67/1072759167.db2.gz YYCMZAZIDDSOMY-VKJFTORMSA-N 1 2 427.523 -0.344 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000679798684 1072761932 /nfs/dbraw/zinc/76/19/32/1072761932.db2.gz BDHYHLYIBOKRET-BXWFABGCSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000679798692 1072761900 /nfs/dbraw/zinc/76/19/00/1072761900.db2.gz BDHYHLYIBOKRET-FCEWJHQRSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000679798696 1072761842 /nfs/dbraw/zinc/76/18/42/1072761842.db2.gz BDHYHLYIBOKRET-GJYPPUQNSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000679798699 1072761702 /nfs/dbraw/zinc/76/17/02/1072761702.db2.gz BDHYHLYIBOKRET-MDZRGWNJSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000679809143 1072765831 /nfs/dbraw/zinc/76/58/31/1072765831.db2.gz RFZHELGTPMNEHX-BXWFABGCSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000679809145 1072765780 /nfs/dbraw/zinc/76/57/80/1072765780.db2.gz RFZHELGTPMNEHX-FCEWJHQRSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000679809147 1072765874 /nfs/dbraw/zinc/76/58/74/1072765874.db2.gz RFZHELGTPMNEHX-GJYPPUQNSA-N 1 2 439.534 -0.248 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000679809149 1072765968 /nfs/dbraw/zinc/76/59/68/1072765968.db2.gz RFZHELGTPMNEHX-MDZRGWNJSA-N 1 2 439.534 -0.248 20 0 IBADLO O=C(Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1)N1CCCCCC1 ZINC000679905574 1072770051 /nfs/dbraw/zinc/77/00/51/1072770051.db2.gz XQTMVNFISQMKKE-KRWDZBQOSA-N 1 2 447.540 -0.058 20 0 IBADLO O=C(Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1)N1CCCCCC1 ZINC000679905575 1072770100 /nfs/dbraw/zinc/77/01/00/1072770100.db2.gz XQTMVNFISQMKKE-QGZVFWFLSA-N 1 2 447.540 -0.058 20 0 IBADLO CNC(=O)CN1CCN(c2cc(C(C)C)[nH+]c(N3CCN(CC(=O)NC)CC3)n2)CC1 ZINC000680836597 1072779712 /nfs/dbraw/zinc/77/97/12/1072779712.db2.gz YUTFNHVEFNNVCK-UHFFFAOYSA-N 1 2 432.573 -0.664 20 0 IBADLO CS(=O)(=O)Cc1noc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000680909954 1072780329 /nfs/dbraw/zinc/78/03/29/1072780329.db2.gz CBNPCQFHRBFVBP-UHFFFAOYSA-N 1 2 437.482 -0.130 20 0 IBADLO CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000680941625 1072781323 /nfs/dbraw/zinc/78/13/23/1072781323.db2.gz UDSWXIKUCCPQKN-UHFFFAOYSA-N 1 2 445.564 -0.196 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000680942152 1072781746 /nfs/dbraw/zinc/78/17/46/1072781746.db2.gz NNADIEAFQRCGGL-UHFFFAOYSA-N 1 2 449.577 -0.605 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000681047635 1072782953 /nfs/dbraw/zinc/78/29/53/1072782953.db2.gz QCONMYGGWCWCOJ-HNNXBMFYSA-N 1 2 426.539 -0.221 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000681047635 1072782940 /nfs/dbraw/zinc/78/29/40/1072782940.db2.gz QCONMYGGWCWCOJ-HNNXBMFYSA-N 1 2 426.539 -0.221 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000681047636 1072783108 /nfs/dbraw/zinc/78/31/08/1072783108.db2.gz QCONMYGGWCWCOJ-OAHLLOKOSA-N 1 2 426.539 -0.221 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000681047636 1072783103 /nfs/dbraw/zinc/78/31/03/1072783103.db2.gz QCONMYGGWCWCOJ-OAHLLOKOSA-N 1 2 426.539 -0.221 20 0 IBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000681167404 1072784254 /nfs/dbraw/zinc/78/42/54/1072784254.db2.gz LTPOOZYJYXGZKF-NXNVCVFFSA-N 1 2 427.523 -0.150 20 0 IBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC000681167404 1072784249 /nfs/dbraw/zinc/78/42/49/1072784249.db2.gz LTPOOZYJYXGZKF-NXNVCVFFSA-N 1 2 427.523 -0.150 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000681171641 1072784882 /nfs/dbraw/zinc/78/48/82/1072784882.db2.gz NLGAWMUYYCZZNP-UHFFFAOYSA-N 1 2 426.481 -0.274 20 0 IBADLO NS(=O)(=O)C[C@H]1CCCN(c2cc(N3CCC[C@H](CS(N)(=O)=O)C3)[nH+]cn2)C1 ZINC000681231245 1072785305 /nfs/dbraw/zinc/78/53/05/1072785305.db2.gz QUXULNKIPGTZJJ-KBPBESRZSA-N 1 2 432.572 -0.514 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCCN(c2cc(N3CCC[C@H](CS(N)(=O)=O)C3)[nH+]cn2)C1 ZINC000681231248 1072785532 /nfs/dbraw/zinc/78/55/32/1072785532.db2.gz QUXULNKIPGTZJJ-OKILXGFUSA-N 1 2 432.572 -0.514 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCCN(c2cc(N3CCC[C@H](CS(N)(=O)=O)C3)nc[nH+]2)C1 ZINC000681231248 1072785528 /nfs/dbraw/zinc/78/55/28/1072785528.db2.gz QUXULNKIPGTZJJ-OKILXGFUSA-N 1 2 432.572 -0.514 20 0 IBADLO NS(=O)(=O)C[C@@H]1CCCN(c2cc(N3CCC[C@@H](CS(N)(=O)=O)C3)[nH+]cn2)C1 ZINC000681231252 1072785556 /nfs/dbraw/zinc/78/55/56/1072785556.db2.gz QUXULNKIPGTZJJ-ZIAGYGMSSA-N 1 2 432.572 -0.514 20 0 IBADLO CCN1C(=O)[C@@H]2CN(c3cc(N4CCN5C(=O)N(CC)C(=O)[C@@H]5C4)[nH+]cn3)CCN2C1=O ZINC000681232891 1072785486 /nfs/dbraw/zinc/78/54/86/1072785486.db2.gz DCZIYSYPUKFNST-KBPBESRZSA-N 1 2 442.480 -0.578 20 0 IBADLO CCN1C(=O)[C@H]2CN(c3cc(N4CCN5C(=O)N(CC)C(=O)[C@@H]5C4)[nH+]cn3)CCN2C1=O ZINC000681232892 1072785608 /nfs/dbraw/zinc/78/56/08/1072785608.db2.gz DCZIYSYPUKFNST-OKILXGFUSA-N 1 2 442.480 -0.578 20 0 IBADLO CCN1C(=O)[C@H]2CN(c3cc(N4CCN5C(=O)N(CC)C(=O)[C@@H]5C4)nc[nH+]3)CCN2C1=O ZINC000681232892 1072785601 /nfs/dbraw/zinc/78/56/01/1072785601.db2.gz DCZIYSYPUKFNST-OKILXGFUSA-N 1 2 442.480 -0.578 20 0 IBADLO CCN1C(=O)[C@H]2CN(c3cc(N4CCN5C(=O)N(CC)C(=O)[C@H]5C4)[nH+]cn3)CCN2C1=O ZINC000681232893 1072785507 /nfs/dbraw/zinc/78/55/07/1072785507.db2.gz DCZIYSYPUKFNST-ZIAGYGMSSA-N 1 2 442.480 -0.578 20 0 IBADLO CN(CCN1CCCS1(=O)=O)c1cc(N(C)CCN2CCCS2(=O)=O)[nH+]cn1 ZINC000681233352 1072785332 /nfs/dbraw/zinc/78/53/32/1072785332.db2.gz BUUDKYLGNLQHQW-UHFFFAOYSA-N 1 2 432.572 -0.580 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](n2cncn2)C1 ZINC000681602333 1072788135 /nfs/dbraw/zinc/78/81/35/1072788135.db2.gz QYNUVPXBPCPFMH-INIZCTEOSA-N 1 2 434.526 -0.219 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](n2cncn2)C1 ZINC000681602340 1072788115 /nfs/dbraw/zinc/78/81/15/1072788115.db2.gz QYNUVPXBPCPFMH-MRXNPFEDSA-N 1 2 434.526 -0.219 20 0 IBADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000681624301 1072788726 /nfs/dbraw/zinc/78/87/26/1072788726.db2.gz PRENAWXHDFGRFH-MOPGFXCFSA-N 1 2 448.520 -0.051 20 0 IBADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000681624302 1072788762 /nfs/dbraw/zinc/78/87/62/1072788762.db2.gz PRENAWXHDFGRFH-OALUTQOASA-N 1 2 448.520 -0.051 20 0 IBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000681624303 1072788743 /nfs/dbraw/zinc/78/87/43/1072788743.db2.gz PRENAWXHDFGRFH-RBUKOAKNSA-N 1 2 448.520 -0.051 20 0 IBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000681624304 1072788663 /nfs/dbraw/zinc/78/86/63/1072788663.db2.gz PRENAWXHDFGRFH-RTBURBONSA-N 1 2 448.520 -0.051 20 0 IBADLO O=C(C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000681701846 1072789227 /nfs/dbraw/zinc/78/92/27/1072789227.db2.gz IMNJTJLOHZBQSI-HRAATJIYSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000681701846 1072789215 /nfs/dbraw/zinc/78/92/15/1072789215.db2.gz IMNJTJLOHZBQSI-HRAATJIYSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000681701847 1072789408 /nfs/dbraw/zinc/78/94/08/1072789408.db2.gz IMNJTJLOHZBQSI-IERDGZPVSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000681701847 1072789396 /nfs/dbraw/zinc/78/93/96/1072789396.db2.gz IMNJTJLOHZBQSI-IERDGZPVSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000681701848 1072789359 /nfs/dbraw/zinc/78/93/59/1072789359.db2.gz IMNJTJLOHZBQSI-IIBYNOLFSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000681701848 1072789352 /nfs/dbraw/zinc/78/93/52/1072789352.db2.gz IMNJTJLOHZBQSI-IIBYNOLFSA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000681701849 1072789206 /nfs/dbraw/zinc/78/92/06/1072789206.db2.gz IMNJTJLOHZBQSI-KKSFZXQISA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000681701849 1072789204 /nfs/dbraw/zinc/78/92/04/1072789204.db2.gz IMNJTJLOHZBQSI-KKSFZXQISA-N 1 2 432.546 -0.087 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(F)(F)C[C@H]1CO ZINC000681952813 1072790746 /nfs/dbraw/zinc/79/07/46/1072790746.db2.gz OHQWPWCRDRSCNZ-AWEZNQCLSA-N 1 2 433.481 -0.055 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(F)(F)C[C@@H]1CO ZINC000681952814 1072791643 /nfs/dbraw/zinc/79/16/43/1072791643.db2.gz OHQWPWCRDRSCNZ-CQSZACIVSA-N 1 2 433.481 -0.055 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@H](NS(C)(=O)=O)C2)nc1N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000681974256 1072791574 /nfs/dbraw/zinc/79/15/74/1072791574.db2.gz SHKHJXHISGUGOJ-CABCVRRESA-N 1 2 446.599 -0.179 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@H](NS(C)(=O)=O)C2)nc1N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000681974257 1072791560 /nfs/dbraw/zinc/79/15/60/1072791560.db2.gz SHKHJXHISGUGOJ-GJZGRUSLSA-N 1 2 446.599 -0.179 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@@H](NS(C)(=O)=O)C2)nc1N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000681974258 1072791496 /nfs/dbraw/zinc/79/14/96/1072791496.db2.gz SHKHJXHISGUGOJ-HUUCEWRRSA-N 1 2 446.599 -0.179 20 0 IBADLO Cc1c[nH+]c(N2CCC[C@@H](NS(C)(=O)=O)C2)nc1N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000681974259 1072791669 /nfs/dbraw/zinc/79/16/69/1072791669.db2.gz SHKHJXHISGUGOJ-LSDHHAIUSA-N 1 2 446.599 -0.179 20 0 IBADLO CS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCC[C@H](NS(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000681976542 1072792158 /nfs/dbraw/zinc/79/21/58/1072792158.db2.gz YECFWQRULWPFGV-KBPBESRZSA-N 1 2 432.572 -0.487 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@H](NS(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000681976543 1072792031 /nfs/dbraw/zinc/79/20/31/1072792031.db2.gz YECFWQRULWPFGV-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@H](NS(C)(=O)=O)C3)nc[nH+]2)C1 ZINC000681976543 1072792019 /nfs/dbraw/zinc/79/20/19/1072792019.db2.gz YECFWQRULWPFGV-OKILXGFUSA-N 1 2 432.572 -0.487 20 0 IBADLO CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@@H](NS(C)(=O)=O)C3)[nH+]cn2)C1 ZINC000681976544 1072792053 /nfs/dbraw/zinc/79/20/53/1072792053.db2.gz YECFWQRULWPFGV-ZIAGYGMSSA-N 1 2 432.572 -0.487 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1NS(C)(=O)=O ZINC000682065460 1072793348 /nfs/dbraw/zinc/79/33/48/1072793348.db2.gz SNGXGOXHUPXRSE-UHFFFAOYSA-N 1 2 428.511 -0.080 20 0 IBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1NS(C)(=O)=O ZINC000682065460 1072793338 /nfs/dbraw/zinc/79/33/38/1072793338.db2.gz SNGXGOXHUPXRSE-UHFFFAOYSA-N 1 2 428.511 -0.080 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000682144512 1072795414 /nfs/dbraw/zinc/79/54/14/1072795414.db2.gz PNOKXUQYCUPXCT-AWEZNQCLSA-N 1 2 437.522 -0.708 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000682144518 1072795576 /nfs/dbraw/zinc/79/55/76/1072795576.db2.gz PNOKXUQYCUPXCT-CQSZACIVSA-N 1 2 437.522 -0.708 20 0 IBADLO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682144667 1072795529 /nfs/dbraw/zinc/79/55/29/1072795529.db2.gz WWLXUUKUZOYUMG-UHFFFAOYSA-N 1 2 431.493 -0.670 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000682147926 1072796179 /nfs/dbraw/zinc/79/61/79/1072796179.db2.gz DIPGSNDKZNVKMF-UHFFFAOYSA-N 1 2 447.536 -0.834 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000682273915 1072798824 /nfs/dbraw/zinc/79/88/24/1072798824.db2.gz IJJNXAWANCDIMD-AWEZNQCLSA-N 1 2 437.522 -0.708 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000682273917 1072799057 /nfs/dbraw/zinc/79/90/57/1072799057.db2.gz IJJNXAWANCDIMD-CQSZACIVSA-N 1 2 437.522 -0.708 20 0 IBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682289689 1072800098 /nfs/dbraw/zinc/80/00/98/1072800098.db2.gz LDYIKVJMKDAPNZ-KRWDZBQOSA-N 1 2 447.536 -0.836 20 0 IBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682289690 1072800240 /nfs/dbraw/zinc/80/02/40/1072800240.db2.gz LDYIKVJMKDAPNZ-QGZVFWFLSA-N 1 2 447.536 -0.836 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000682303356 1072800887 /nfs/dbraw/zinc/80/08/87/1072800887.db2.gz IDSUHEXOTZEDKE-GOSISDBHSA-N 1 2 444.467 -0.007 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000682303357 1072800681 /nfs/dbraw/zinc/80/06/81/1072800681.db2.gz IDSUHEXOTZEDKE-SFHVURJKSA-N 1 2 444.467 -0.007 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000682303886 1072800830 /nfs/dbraw/zinc/80/08/30/1072800830.db2.gz HJLMIJHUHNRUIA-GOSISDBHSA-N 1 2 444.467 -0.007 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000682303887 1072800986 /nfs/dbraw/zinc/80/09/86/1072800986.db2.gz HJLMIJHUHNRUIA-SFHVURJKSA-N 1 2 444.467 -0.007 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)CC1 ZINC000682340387 1072802221 /nfs/dbraw/zinc/80/22/21/1072802221.db2.gz WOHORZNHCQQKCG-KRWDZBQOSA-N 1 2 431.493 -0.888 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)CC1 ZINC000682340388 1072802484 /nfs/dbraw/zinc/80/24/84/1072802484.db2.gz WOHORZNHCQQKCG-QGZVFWFLSA-N 1 2 431.493 -0.888 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000682370173 1072802646 /nfs/dbraw/zinc/80/26/46/1072802646.db2.gz DAYVXZNIFRBYHR-UHFFFAOYSA-N 1 2 439.582 -0.317 20 0 IBADLO Cc1cccn2cc(CCNC(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)[nH+]c12 ZINC000682418031 1072804661 /nfs/dbraw/zinc/80/46/61/1072804661.db2.gz JNNZSZFUXNJZJB-UHFFFAOYSA-N 1 2 426.481 -0.143 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682443327 1072805035 /nfs/dbraw/zinc/80/50/35/1072805035.db2.gz FKAMRZQDSCIDMC-AWEZNQCLSA-N 1 2 433.481 -0.055 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H](O)CC(F)(F)C1 ZINC000682443331 1072805277 /nfs/dbraw/zinc/80/52/77/1072805277.db2.gz FKAMRZQDSCIDMC-CQSZACIVSA-N 1 2 433.481 -0.055 20 0 IBADLO O=C(NCCC1CS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000682444381 1072805161 /nfs/dbraw/zinc/80/51/61/1072805161.db2.gz QVWITMPNCYLVNS-UHFFFAOYSA-N 1 2 445.567 -0.733 20 0 IBADLO COCCN1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000682603942 1072806780 /nfs/dbraw/zinc/80/67/80/1072806780.db2.gz ZTBVLBXSNADHGH-UHFFFAOYSA-N 1 2 445.520 -0.280 20 0 IBADLO CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000682633590 1073198879 /nfs/dbraw/zinc/19/88/79/1073198879.db2.gz CODRQDGGUKRLFH-KRWDZBQOSA-N 1 2 441.602 -0.021 20 0 IBADLO CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000682633593 1073198950 /nfs/dbraw/zinc/19/89/50/1073198950.db2.gz CODRQDGGUKRLFH-QGZVFWFLSA-N 1 2 441.602 -0.021 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNC(=O)c2ccccn2)CC3)CC1 ZINC000683124310 1070799083 /nfs/dbraw/zinc/79/90/83/1070799083.db2.gz IKAVJRVSNWJJMB-INIZCTEOSA-N 1 2 439.520 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNC(=O)c2ccccn2)CC3)CC1 ZINC000683124311 1070799350 /nfs/dbraw/zinc/79/93/50/1070799350.db2.gz IKAVJRVSNWJJMB-MRXNPFEDSA-N 1 2 439.520 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNC(=O)c2ccncc2)CC3)CC1 ZINC000683138867 1070803317 /nfs/dbraw/zinc/80/33/17/1070803317.db2.gz NTBUGANZNFAEQX-INIZCTEOSA-N 1 2 439.520 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNC(=O)c2ccncc2)CC3)CC1 ZINC000683138869 1070803568 /nfs/dbraw/zinc/80/35/68/1070803568.db2.gz NTBUGANZNFAEQX-MRXNPFEDSA-N 1 2 439.520 -0.226 20 0 IBADLO CCOC[C@H]1C(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1C ZINC000683272651 1070832687 /nfs/dbraw/zinc/83/26/87/1070832687.db2.gz NLTHEMRLOUIIMG-HNNXBMFYSA-N 1 2 425.511 -0.168 20 0 IBADLO CCOC[C@@H]1C(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1C ZINC000683272653 1070832551 /nfs/dbraw/zinc/83/25/51/1070832551.db2.gz NLTHEMRLOUIIMG-OAHLLOKOSA-N 1 2 425.511 -0.168 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC000683381514 1070857241 /nfs/dbraw/zinc/85/72/41/1070857241.db2.gz LKMICZVAGCDYIT-HNNXBMFYSA-N 1 2 436.534 -0.094 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC000683381515 1070857353 /nfs/dbraw/zinc/85/73/53/1070857353.db2.gz LKMICZVAGCDYIT-OAHLLOKOSA-N 1 2 436.534 -0.094 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000683431032 1070866578 /nfs/dbraw/zinc/86/65/78/1070866578.db2.gz JRHPEQGRTHSLCY-UHFFFAOYSA-N 1 2 429.521 -0.006 20 0 IBADLO CCOC1CC(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC000683478710 1070879730 /nfs/dbraw/zinc/87/97/30/1070879730.db2.gz UXLGBJZASKJICC-UHFFFAOYSA-N 1 2 447.602 -0.867 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)([NH+]2CCOCC2)C1 ZINC000683482019 1070879802 /nfs/dbraw/zinc/87/98/02/1070879802.db2.gz RUMXTGRTOXHNCQ-UHFFFAOYSA-N 1 2 433.575 -0.610 20 0 IBADLO Cn1cccc1C(=O)N1CCN(CC(O)C[NH+]2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000683665212 1070892709 /nfs/dbraw/zinc/89/27/09/1070892709.db2.gz UFLKDJUTYCYGTO-UHFFFAOYSA-N 1 2 442.564 -0.060 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000684070233 1070949049 /nfs/dbraw/zinc/94/90/49/1070949049.db2.gz BMHMYKXJDUVLJZ-BXWFABGCSA-N 1 2 441.550 -0.002 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000684070234 1070948778 /nfs/dbraw/zinc/94/87/78/1070948778.db2.gz BMHMYKXJDUVLJZ-FCEWJHQRSA-N 1 2 441.550 -0.002 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000684070235 1070948898 /nfs/dbraw/zinc/94/88/98/1070948898.db2.gz BMHMYKXJDUVLJZ-GJYPPUQNSA-N 1 2 441.550 -0.002 20 0 IBADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000684070236 1070948974 /nfs/dbraw/zinc/94/89/74/1070948974.db2.gz BMHMYKXJDUVLJZ-MDZRGWNJSA-N 1 2 441.550 -0.002 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684195755 1070969795 /nfs/dbraw/zinc/96/97/95/1070969795.db2.gz OICPTWBUTUEXPH-AWEZNQCLSA-N 1 2 440.551 -0.421 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684195758 1070969706 /nfs/dbraw/zinc/96/97/06/1070969706.db2.gz OICPTWBUTUEXPH-CQSZACIVSA-N 1 2 440.551 -0.421 20 0 IBADLO CN(C)C(=O)CN1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000684569579 1071033303 /nfs/dbraw/zinc/03/33/03/1071033303.db2.gz DFBJGKIJYYSBGI-UHFFFAOYSA-N 1 2 440.566 -0.208 20 0 IBADLO c1nc2nc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc(N3CCN([C@H]4CCOC4)CC3)n2n1 ZINC000684578954 1071034866 /nfs/dbraw/zinc/03/48/66/1071034866.db2.gz ZPDWVEGCVWUNPJ-MSOLQXFVSA-N 1 2 428.541 -0.054 20 0 IBADLO c1nc2nc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc(N3CCN([C@@H]4CCOC4)CC3)n2n1 ZINC000684578955 1071034924 /nfs/dbraw/zinc/03/49/24/1071034924.db2.gz ZPDWVEGCVWUNPJ-QZTJIDSGSA-N 1 2 428.541 -0.054 20 0 IBADLO c1nc2nc(N3CC[NH+]([C@H]4CCOC4)CC3)cc(N3CCN([C@H]4CCOC4)CC3)n2n1 ZINC000684578956 1071034884 /nfs/dbraw/zinc/03/48/84/1071034884.db2.gz ZPDWVEGCVWUNPJ-ROUUACIJSA-N 1 2 428.541 -0.054 20 0 IBADLO c1nc2nc(N3CC[NH+]([C@H]4CCOC4)CC3)cc(N3CCN([C@@H]4CCOC4)CC3)n2n1 ZINC000684578957 1071034906 /nfs/dbraw/zinc/03/49/06/1071034906.db2.gz ZPDWVEGCVWUNPJ-ZWKOTPCHSA-N 1 2 428.541 -0.054 20 0 IBADLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000684587650 1071039262 /nfs/dbraw/zinc/03/92/62/1071039262.db2.gz GYDAIQKMFDPIOH-UHFFFAOYSA-N 1 2 428.555 -0.304 20 0 IBADLO COCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000684815723 1071081418 /nfs/dbraw/zinc/08/14/18/1071081418.db2.gz GSSKIRPQVVFINK-UHFFFAOYSA-N 1 2 438.550 -0.056 20 0 IBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000685079230 1071149614 /nfs/dbraw/zinc/14/96/14/1071149614.db2.gz QRCGPQGTMLHSEW-INIZCTEOSA-N 1 2 443.574 -0.002 20 0 IBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000685079231 1071149575 /nfs/dbraw/zinc/14/95/75/1071149575.db2.gz QRCGPQGTMLHSEW-MRXNPFEDSA-N 1 2 443.574 -0.002 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000685085445 1071151098 /nfs/dbraw/zinc/15/10/98/1071151098.db2.gz GEVGQQQDSCJLFE-HNNXBMFYSA-N 1 2 444.579 -0.226 20 0 IBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000685085447 1071151085 /nfs/dbraw/zinc/15/10/85/1071151085.db2.gz GEVGQQQDSCJLFE-OAHLLOKOSA-N 1 2 444.579 -0.226 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000685131141 1071162924 /nfs/dbraw/zinc/16/29/24/1071162924.db2.gz MBXLYDHMGQXPTL-CABCVRRESA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000685131147 1071162750 /nfs/dbraw/zinc/16/27/50/1071162750.db2.gz MBXLYDHMGQXPTL-GJZGRUSLSA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000685131149 1071162843 /nfs/dbraw/zinc/16/28/43/1071162843.db2.gz MBXLYDHMGQXPTL-HUUCEWRRSA-N 1 2 426.464 -0.189 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000685131153 1071162908 /nfs/dbraw/zinc/16/29/08/1071162908.db2.gz MBXLYDHMGQXPTL-LSDHHAIUSA-N 1 2 426.464 -0.189 20 0 IBADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000685168414 1071182280 /nfs/dbraw/zinc/18/22/80/1071182280.db2.gz CKALBNMJOWAKFX-INIZCTEOSA-N 1 2 449.533 -0.057 20 0 IBADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000685168414 1071182268 /nfs/dbraw/zinc/18/22/68/1071182268.db2.gz CKALBNMJOWAKFX-INIZCTEOSA-N 1 2 449.533 -0.057 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685170508 1071186410 /nfs/dbraw/zinc/18/64/10/1071186410.db2.gz DXYZOPSSEIQBQL-BGTYHANMSA-N 1 2 432.525 -0.210 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685170516 1071186705 /nfs/dbraw/zinc/18/67/05/1071186705.db2.gz DXYZOPSSEIQBQL-LAVFITLUSA-N 1 2 432.525 -0.210 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685170521 1071186722 /nfs/dbraw/zinc/18/67/22/1071186722.db2.gz DXYZOPSSEIQBQL-NRSFXHEJSA-N 1 2 432.525 -0.210 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685170523 1071186387 /nfs/dbraw/zinc/18/63/87/1071186387.db2.gz DXYZOPSSEIQBQL-UBDQQSCGSA-N 1 2 432.525 -0.210 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685170940 1071184836 /nfs/dbraw/zinc/18/48/36/1071184836.db2.gz YHMCHTFKMNQMOG-UHFFFAOYSA-N 1 2 435.506 -0.445 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H](c2ccccc2)C1 ZINC000685173058 1071189880 /nfs/dbraw/zinc/18/98/80/1071189880.db2.gz URJDYJRTHGSUDW-KRWDZBQOSA-N 1 2 435.506 -0.275 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H](c2ccccc2)C1 ZINC000685173058 1071189874 /nfs/dbraw/zinc/18/98/74/1071189874.db2.gz URJDYJRTHGSUDW-KRWDZBQOSA-N 1 2 435.506 -0.275 20 0 IBADLO C[N@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC000685173060 1071189920 /nfs/dbraw/zinc/18/99/20/1071189920.db2.gz URJDYJRTHGSUDW-QGZVFWFLSA-N 1 2 435.506 -0.275 20 0 IBADLO C[N@@H+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC000685173060 1071189918 /nfs/dbraw/zinc/18/99/18/1071189918.db2.gz URJDYJRTHGSUDW-QGZVFWFLSA-N 1 2 435.506 -0.275 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000685176150 1071193806 /nfs/dbraw/zinc/19/38/06/1071193806.db2.gz VDYILEOOGIHSHH-BBRMVZONSA-N 1 2 426.481 -0.523 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000685176151 1071193631 /nfs/dbraw/zinc/19/36/31/1071193631.db2.gz VDYILEOOGIHSHH-CJNGLKHVSA-N 1 2 426.481 -0.523 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000685176152 1071193873 /nfs/dbraw/zinc/19/38/73/1071193873.db2.gz VDYILEOOGIHSHH-CZUORRHYSA-N 1 2 426.481 -0.523 20 0 IBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000685176153 1071193717 /nfs/dbraw/zinc/19/37/17/1071193717.db2.gz VDYILEOOGIHSHH-XJKSGUPXSA-N 1 2 426.481 -0.523 20 0 IBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685176615 1071194467 /nfs/dbraw/zinc/19/44/67/1071194467.db2.gz YCVCUYZGZZOUSE-JFIYKMOQSA-N 1 2 432.525 -0.257 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685176616 1071194402 /nfs/dbraw/zinc/19/44/02/1071194402.db2.gz YCVCUYZGZZOUSE-NUJGCVRESA-N 1 2 432.525 -0.257 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685176617 1071194451 /nfs/dbraw/zinc/19/44/51/1071194451.db2.gz YCVCUYZGZZOUSE-RYRKJORJSA-N 1 2 432.525 -0.257 20 0 IBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685176618 1071194494 /nfs/dbraw/zinc/19/44/94/1071194494.db2.gz YCVCUYZGZZOUSE-SOLBZPMBSA-N 1 2 432.525 -0.257 20 0 IBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000685220752 1071205583 /nfs/dbraw/zinc/20/55/83/1071205583.db2.gz MODODZCQTLHMMO-MJGOQNOKSA-N 1 2 434.541 -0.092 20 0 IBADLO Cc1cscc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685312698 1071226882 /nfs/dbraw/zinc/22/68/82/1071226882.db2.gz MCQKGDKXOQLAPF-UHFFFAOYSA-N 1 2 429.568 -0.691 20 0 IBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000685328217 1071230118 /nfs/dbraw/zinc/23/01/18/1071230118.db2.gz BIKGNDFBHPNZFI-UHFFFAOYSA-N 1 2 426.514 -0.132 20 0 IBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000685328217 1071230112 /nfs/dbraw/zinc/23/01/12/1071230112.db2.gz BIKGNDFBHPNZFI-UHFFFAOYSA-N 1 2 426.514 -0.132 20 0 IBADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c1 ZINC000685328651 1071230749 /nfs/dbraw/zinc/23/07/49/1071230749.db2.gz PNXZQIOQNZBKBQ-HNNXBMFYSA-N 1 2 438.550 -0.092 20 0 IBADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c1 ZINC000685328652 1071230795 /nfs/dbraw/zinc/23/07/95/1071230795.db2.gz PNXZQIOQNZBKBQ-OAHLLOKOSA-N 1 2 438.550 -0.092 20 0 IBADLO Cc1cc(N2CCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000685329383 1071231545 /nfs/dbraw/zinc/23/15/45/1071231545.db2.gz NAFVALQPBIXLKZ-UHFFFAOYSA-N 1 2 438.554 -0.435 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000685345598 1071239119 /nfs/dbraw/zinc/23/91/19/1071239119.db2.gz QJKHYMCRKLFPRM-IKGGRYGDSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000685345598 1071239108 /nfs/dbraw/zinc/23/91/08/1071239108.db2.gz QJKHYMCRKLFPRM-IKGGRYGDSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000685345599 1071239618 /nfs/dbraw/zinc/23/96/18/1071239618.db2.gz QJKHYMCRKLFPRM-IXDOHACOSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000685345599 1071239612 /nfs/dbraw/zinc/23/96/12/1071239612.db2.gz QJKHYMCRKLFPRM-IXDOHACOSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000685345600 1071239362 /nfs/dbraw/zinc/23/93/62/1071239362.db2.gz QJKHYMCRKLFPRM-ULQDDVLXSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000685345600 1071239351 /nfs/dbraw/zinc/23/93/51/1071239351.db2.gz QJKHYMCRKLFPRM-ULQDDVLXSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000685345601 1071239514 /nfs/dbraw/zinc/23/95/14/1071239514.db2.gz QJKHYMCRKLFPRM-YESZJQIVSA-N 1 2 438.912 -0.199 20 0 IBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000685345601 1071239505 /nfs/dbraw/zinc/23/95/05/1071239505.db2.gz QJKHYMCRKLFPRM-YESZJQIVSA-N 1 2 438.912 -0.199 20 0 IBADLO CNS(=O)(=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000685416247 1071243917 /nfs/dbraw/zinc/24/39/17/1071243917.db2.gz RYRVEXLRMAILAJ-UHFFFAOYSA-N 1 2 448.567 -0.832 20 0 IBADLO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685434559 1071244671 /nfs/dbraw/zinc/24/46/71/1071244671.db2.gz YRDDOCSYEJOPFO-KRWDZBQOSA-N 1 2 435.500 -0.003 20 0 IBADLO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685434560 1071244537 /nfs/dbraw/zinc/24/45/37/1071244537.db2.gz YRDDOCSYEJOPFO-QGZVFWFLSA-N 1 2 435.500 -0.003 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@H]1Oc1ccccc1 ZINC000685482656 1071245369 /nfs/dbraw/zinc/24/53/69/1071245369.db2.gz DHKKYIHHAHXYBJ-FFGOWVMKSA-N 1 2 435.521 -0.121 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H]1Oc1ccccc1 ZINC000685482657 1071245463 /nfs/dbraw/zinc/24/54/63/1071245463.db2.gz DHKKYIHHAHXYBJ-GSEOLPGOSA-N 1 2 435.521 -0.121 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H]1Oc1ccccc1 ZINC000685482658 1071245213 /nfs/dbraw/zinc/24/52/13/1071245213.db2.gz DHKKYIHHAHXYBJ-IJXRJRJASA-N 1 2 435.521 -0.121 20 0 IBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@H]1Oc1ccccc1 ZINC000685482659 1071245486 /nfs/dbraw/zinc/24/54/86/1071245486.db2.gz DHKKYIHHAHXYBJ-MDNKFWRPSA-N 1 2 435.521 -0.121 20 0 IBADLO Cc1cc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCOC4)CC2)nc(C(C)C)[nH+]1 ZINC000685485618 1071246937 /nfs/dbraw/zinc/24/69/37/1071246937.db2.gz PZGICFLPKANMCZ-UHFFFAOYSA-N 1 2 428.497 -0.005 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)(N2CCOCC2)C1 ZINC000685493970 1071247504 /nfs/dbraw/zinc/24/75/04/1071247504.db2.gz DPFQJJGWNDSUNT-FLPIEVNYSA-N 1 2 438.569 -0.304 20 0 IBADLO CCOC1CC(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)(N2CCOCC2)C1 ZINC000685493971 1071247639 /nfs/dbraw/zinc/24/76/39/1071247639.db2.gz DPFQJJGWNDSUNT-PGFLUOATSA-N 1 2 438.569 -0.304 20 0 IBADLO CC[NH+](CC)CCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000685588874 1071251204 /nfs/dbraw/zinc/25/12/04/1071251204.db2.gz WUBQMKKLTUPBOT-KRWDZBQOSA-N 1 2 425.617 -0.131 20 0 IBADLO CC[NH+](CC)CCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000685588876 1071251551 /nfs/dbraw/zinc/25/15/51/1071251551.db2.gz WUBQMKKLTUPBOT-QGZVFWFLSA-N 1 2 425.617 -0.131 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000685603649 1071252004 /nfs/dbraw/zinc/25/20/04/1071252004.db2.gz VFCJSXVTPOARGH-UHFFFAOYSA-N 1 2 427.527 -0.622 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000685603649 1071251991 /nfs/dbraw/zinc/25/19/91/1071251991.db2.gz VFCJSXVTPOARGH-UHFFFAOYSA-N 1 2 427.527 -0.622 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000685603716 1071252052 /nfs/dbraw/zinc/25/20/52/1071252052.db2.gz RTMVWNFNIKTVLT-UHFFFAOYSA-N 1 2 425.555 -0.295 20 0 IBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000685603716 1071252037 /nfs/dbraw/zinc/25/20/37/1071252037.db2.gz RTMVWNFNIKTVLT-UHFFFAOYSA-N 1 2 425.555 -0.295 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000685638773 1071253541 /nfs/dbraw/zinc/25/35/41/1071253541.db2.gz KVCXLAVMLKOHIN-INIZCTEOSA-N 1 2 428.559 -0.824 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000685638773 1071253530 /nfs/dbraw/zinc/25/35/30/1071253530.db2.gz KVCXLAVMLKOHIN-INIZCTEOSA-N 1 2 428.559 -0.824 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000685638788 1071253873 /nfs/dbraw/zinc/25/38/73/1071253873.db2.gz KVCXLAVMLKOHIN-MRXNPFEDSA-N 1 2 428.559 -0.824 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000685638788 1071253859 /nfs/dbraw/zinc/25/38/59/1071253859.db2.gz KVCXLAVMLKOHIN-MRXNPFEDSA-N 1 2 428.559 -0.824 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000685644634 1071254402 /nfs/dbraw/zinc/25/44/02/1071254402.db2.gz OCYYUKVEAGJRDB-UHFFFAOYSA-N 1 2 439.538 -0.406 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000685644634 1071254394 /nfs/dbraw/zinc/25/43/94/1071254394.db2.gz OCYYUKVEAGJRDB-UHFFFAOYSA-N 1 2 439.538 -0.406 20 0 IBADLO O=C(CNS(=O)(=O)c1ccccc1F)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000685745044 1071264899 /nfs/dbraw/zinc/26/48/99/1071264899.db2.gz JPKXNJKSMGWUCQ-AWEZNQCLSA-N 1 2 428.486 -0.847 20 0 IBADLO O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000685745045 1071264920 /nfs/dbraw/zinc/26/49/20/1071264920.db2.gz JPKXNJKSMGWUCQ-CQSZACIVSA-N 1 2 428.486 -0.847 20 0 IBADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000685745101 1071264805 /nfs/dbraw/zinc/26/48/05/1071264805.db2.gz UUMVNWZDANHWPS-KRWDZBQOSA-N 1 2 438.550 -0.369 20 0 IBADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000685745102 1071264885 /nfs/dbraw/zinc/26/48/85/1071264885.db2.gz UUMVNWZDANHWPS-QGZVFWFLSA-N 1 2 438.550 -0.369 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685764653 1071270785 /nfs/dbraw/zinc/27/07/85/1071270785.db2.gz DJEDWGQLJUJWCG-KRWDZBQOSA-N 1 2 440.570 -0.550 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685764653 1071270774 /nfs/dbraw/zinc/27/07/74/1071270774.db2.gz DJEDWGQLJUJWCG-KRWDZBQOSA-N 1 2 440.570 -0.550 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685764654 1071270562 /nfs/dbraw/zinc/27/05/62/1071270562.db2.gz DJEDWGQLJUJWCG-QGZVFWFLSA-N 1 2 440.570 -0.550 20 0 IBADLO NS(=O)(=O)CCN1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685764654 1071270552 /nfs/dbraw/zinc/27/05/52/1071270552.db2.gz DJEDWGQLJUJWCG-QGZVFWFLSA-N 1 2 440.570 -0.550 20 0 IBADLO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000685767370 1071273056 /nfs/dbraw/zinc/27/30/56/1071273056.db2.gz HLYILLLGBIUPPW-UHFFFAOYSA-N 1 2 433.494 -0.659 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000685767378 1071273016 /nfs/dbraw/zinc/27/30/16/1071273016.db2.gz LVYZFJONGYPVBK-UHFFFAOYSA-N 1 2 432.506 -0.200 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC000685780539 1071280724 /nfs/dbraw/zinc/28/07/24/1071280724.db2.gz GNTNSYQOYXWWNA-UHFFFAOYSA-N 1 2 439.538 -0.703 20 0 IBADLO CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000685780554 1071280841 /nfs/dbraw/zinc/28/08/41/1071280841.db2.gz NKKGGNVLMKYHGP-UHFFFAOYSA-N 1 2 425.511 -0.980 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000685804762 1071290119 /nfs/dbraw/zinc/29/01/19/1071290119.db2.gz DFEIEPUEQSXWDR-INIZCTEOSA-N 1 2 428.511 -0.925 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000685804763 1071290075 /nfs/dbraw/zinc/29/00/75/1071290075.db2.gz DFEIEPUEQSXWDR-MRXNPFEDSA-N 1 2 428.511 -0.925 20 0 IBADLO O=C(NCCn1ccnn1)[C@H]1CC[C@@H](C(=O)NCCn2ccnn2)[N@H+]1Cc1ccccc1 ZINC000685822772 1071294686 /nfs/dbraw/zinc/29/46/86/1071294686.db2.gz OBHVOXRLRFMRAA-KDURUIRLSA-N 1 2 437.508 -0.165 20 0 IBADLO O=C(NCCn1ccnn1)[C@H]1CC[C@@H](C(=O)NCCn2ccnn2)[N@@H+]1Cc1ccccc1 ZINC000685822772 1071294670 /nfs/dbraw/zinc/29/46/70/1071294670.db2.gz OBHVOXRLRFMRAA-KDURUIRLSA-N 1 2 437.508 -0.165 20 0 IBADLO CN(C)S(=O)(=O)n1ccnc1CNc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000685842881 1071298628 /nfs/dbraw/zinc/29/86/28/1071298628.db2.gz ORRWNDUVBTZSBX-UHFFFAOYSA-N 1 2 443.555 -0.374 20 0 IBADLO Cc1cccn2cc(CC(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)[nH+]c12 ZINC000725887367 1072826400 /nfs/dbraw/zinc/82/64/00/1072826400.db2.gz IQNGCBKYZYJDEO-INIZCTEOSA-N 1 2 440.547 -0.154 20 0 IBADLO Cc1cccn2cc(CC(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)[nH+]c12 ZINC000725887371 1072826720 /nfs/dbraw/zinc/82/67/20/1072826720.db2.gz IQNGCBKYZYJDEO-MRXNPFEDSA-N 1 2 440.547 -0.154 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895606 1072826684 /nfs/dbraw/zinc/82/66/84/1072826684.db2.gz HUMXBKBDKFQKEY-CHWSQXEVSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895606 1072826672 /nfs/dbraw/zinc/82/66/72/1072826672.db2.gz HUMXBKBDKFQKEY-CHWSQXEVSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895610 1072827175 /nfs/dbraw/zinc/82/71/75/1072827175.db2.gz HUMXBKBDKFQKEY-OLZOCXBDSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895610 1072827167 /nfs/dbraw/zinc/82/71/67/1072827167.db2.gz HUMXBKBDKFQKEY-OLZOCXBDSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895611 1071355515 /nfs/dbraw/zinc/35/55/15/1071355515.db2.gz HUMXBKBDKFQKEY-QWHCGFSZSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895611 1071355501 /nfs/dbraw/zinc/35/55/01/1071355501.db2.gz HUMXBKBDKFQKEY-QWHCGFSZSA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895612 1072827092 /nfs/dbraw/zinc/82/70/92/1072827092.db2.gz HUMXBKBDKFQKEY-STQMWFEESA-N 1 2 435.558 -0.124 20 0 IBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2c(NCC)[nH+]1 ZINC000725895612 1072827088 /nfs/dbraw/zinc/82/70/88/1072827088.db2.gz HUMXBKBDKFQKEY-STQMWFEESA-N 1 2 435.558 -0.124 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000726254506 1072832302 /nfs/dbraw/zinc/83/23/02/1072832302.db2.gz GUVQLBAHXXDXAE-CYBMUJFWSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000726254506 1072832292 /nfs/dbraw/zinc/83/22/92/1072832292.db2.gz GUVQLBAHXXDXAE-CYBMUJFWSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000726254514 1072832645 /nfs/dbraw/zinc/83/26/45/1072832645.db2.gz GUVQLBAHXXDXAE-ZDUSSCGKSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCO1 ZINC000726254514 1072832636 /nfs/dbraw/zinc/83/26/36/1072832636.db2.gz GUVQLBAHXXDXAE-ZDUSSCGKSA-N 1 2 429.499 -0.885 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000726255589 1072832606 /nfs/dbraw/zinc/83/26/06/1072832606.db2.gz LLJKWZFPDYWDRR-KRWDZBQOSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000726255589 1072832598 /nfs/dbraw/zinc/83/25/98/1072832598.db2.gz LLJKWZFPDYWDRR-KRWDZBQOSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000726255601 1072832746 /nfs/dbraw/zinc/83/27/46/1072832746.db2.gz LLJKWZFPDYWDRR-QGZVFWFLSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000726255601 1072832733 /nfs/dbraw/zinc/83/27/33/1072832733.db2.gz LLJKWZFPDYWDRR-QGZVFWFLSA-N 1 2 440.570 -0.447 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)C[C@@H](C)O1 ZINC000726255870 1072832420 /nfs/dbraw/zinc/83/24/20/1072832420.db2.gz MZZGGAUBXGJPGC-BRWVUGGUSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)C[C@@H](C)O1 ZINC000726255870 1072832405 /nfs/dbraw/zinc/83/24/05/1072832405.db2.gz MZZGGAUBXGJPGC-BRWVUGGUSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000726255871 1072832569 /nfs/dbraw/zinc/83/25/69/1072832569.db2.gz MZZGGAUBXGJPGC-IKGGRYGDSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000726255871 1072832559 /nfs/dbraw/zinc/83/25/59/1072832559.db2.gz MZZGGAUBXGJPGC-IKGGRYGDSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000726256178 1072832518 /nfs/dbraw/zinc/83/25/18/1072832518.db2.gz MZZGGAUBXGJPGC-YESZJQIVSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000726256178 1072832506 /nfs/dbraw/zinc/83/25/06/1072832506.db2.gz MZZGGAUBXGJPGC-YESZJQIVSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000726256181 1072832479 /nfs/dbraw/zinc/83/24/79/1072832479.db2.gz MZZGGAUBXGJPGC-ZACQAIPSSA-N 1 2 433.575 -0.612 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000726256181 1072832472 /nfs/dbraw/zinc/83/24/72/1072832472.db2.gz MZZGGAUBXGJPGC-ZACQAIPSSA-N 1 2 433.575 -0.612 20 0 IBADLO COC(=O)N1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000726616241 1072835145 /nfs/dbraw/zinc/83/51/45/1072835145.db2.gz FRKUYPUGFURRPB-HNNXBMFYSA-N 1 2 432.547 -0.963 20 0 IBADLO COC(=O)N1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000726616244 1072835762 /nfs/dbraw/zinc/83/57/62/1072835762.db2.gz FRKUYPUGFURRPB-OAHLLOKOSA-N 1 2 432.547 -0.963 20 0 IBADLO Cc1onc2c1c(C)nn(CN1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)c2=O ZINC000726784525 1072838159 /nfs/dbraw/zinc/83/81/59/1072838159.db2.gz FXKQCUKVLADPLG-UHFFFAOYSA-N 1 2 425.515 -0.931 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCCNC1=O ZINC000726866671 1072840379 /nfs/dbraw/zinc/84/03/79/1072840379.db2.gz QCDLQXWKBIMUDV-GOSISDBHSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCCNC1=O ZINC000726866671 1072840372 /nfs/dbraw/zinc/84/03/72/1072840372.db2.gz QCDLQXWKBIMUDV-GOSISDBHSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCCNC1=O ZINC000726866819 1072840106 /nfs/dbraw/zinc/84/01/06/1072840106.db2.gz QCDLQXWKBIMUDV-SFHVURJKSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCCNC1=O ZINC000726866819 1072840090 /nfs/dbraw/zinc/84/00/90/1072840090.db2.gz QCDLQXWKBIMUDV-SFHVURJKSA-N 1 2 438.550 -0.076 20 0 IBADLO Cn1cnnc1SCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000726935459 1072841058 /nfs/dbraw/zinc/84/10/58/1072841058.db2.gz HGJNKQSRVICUOX-UHFFFAOYSA-N 1 2 425.540 -0.430 20 0 IBADLO C[C@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[NH+]1CCN(C)CC1 ZINC000727178538 1073373678 /nfs/dbraw/zinc/37/36/78/1073373678.db2.gz XRRPHNAVWIHGDR-LLVKDONJSA-N 1 2 426.319 -0.355 20 0 IBADLO C[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[NH+]1CCN(C)CC1 ZINC000727178539 1073373735 /nfs/dbraw/zinc/37/37/35/1073373735.db2.gz XRRPHNAVWIHGDR-NSHDSACASA-N 1 2 426.319 -0.355 20 0 IBADLO CC(C)NC(=O)CNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727275116 1073375277 /nfs/dbraw/zinc/37/52/77/1073375277.db2.gz JCEYGIANRJRVON-UHFFFAOYSA-N 1 2 428.584 -0.478 20 0 IBADLO Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(=O)n(C)c1=O ZINC000727323852 1073375205 /nfs/dbraw/zinc/37/52/05/1073375205.db2.gz PXEQNHXIQIWYIN-UHFFFAOYSA-N 1 2 443.460 -0.072 20 0 IBADLO CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O)[NH+]1CCOCC1 ZINC000727658023 1073377085 /nfs/dbraw/zinc/37/70/85/1073377085.db2.gz VJBOTKFDLPFROZ-NRFANRHFSA-N 1 2 431.493 -0.221 20 0 IBADLO CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O)[NH+]1CCOCC1 ZINC000727658024 1073377151 /nfs/dbraw/zinc/37/71/51/1073377151.db2.gz VJBOTKFDLPFROZ-OAQYLSRUSA-N 1 2 431.493 -0.221 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727766135 1073376990 /nfs/dbraw/zinc/37/69/90/1073376990.db2.gz PVNMZZIDZOBVKJ-HNNXBMFYSA-N 1 2 428.478 -0.258 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727766136 1073377067 /nfs/dbraw/zinc/37/70/67/1073377067.db2.gz PVNMZZIDZOBVKJ-OAHLLOKOSA-N 1 2 428.478 -0.258 20 0 IBADLO CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727937988 1073380788 /nfs/dbraw/zinc/38/07/88/1073380788.db2.gz MDSCZKVCJXQKGL-UHFFFAOYSA-N 1 2 433.556 -0.733 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000728129258 1073382606 /nfs/dbraw/zinc/38/26/06/1073382606.db2.gz USIXKARNNMWEPC-UHFFFAOYSA-N 1 2 433.556 -0.781 20 0 IBADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000728153302 1073383471 /nfs/dbraw/zinc/38/34/71/1073383471.db2.gz ZSQQYEDMCCTTEQ-FQEVSTJZSA-N 1 2 442.476 -0.365 20 0 IBADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000728153303 1073383322 /nfs/dbraw/zinc/38/33/22/1073383322.db2.gz ZSQQYEDMCCTTEQ-HXUWFJFHSA-N 1 2 442.476 -0.365 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)CC1 ZINC000728159336 1073383358 /nfs/dbraw/zinc/38/33/58/1073383358.db2.gz GHQJCDWVQZMBBJ-NRFANRHFSA-N 1 2 449.475 -0.126 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)CC1 ZINC000728159337 1073383427 /nfs/dbraw/zinc/38/34/27/1073383427.db2.gz GHQJCDWVQZMBBJ-OAQYLSRUSA-N 1 2 449.475 -0.126 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(N4CCNC4=O)CC3)C2=O)c1 ZINC000728172600 1073384263 /nfs/dbraw/zinc/38/42/63/1073384263.db2.gz DUQQHWPVMSMFSG-NRFANRHFSA-N 1 2 444.492 -0.017 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(N4CCNC4=O)CC3)C2=O)c1 ZINC000728172601 1073384355 /nfs/dbraw/zinc/38/43/55/1073384355.db2.gz DUQQHWPVMSMFSG-OAQYLSRUSA-N 1 2 444.492 -0.017 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C(=O)NCCO)CC3)C2=O)c1 ZINC000728173149 1073384292 /nfs/dbraw/zinc/38/42/92/1073384292.db2.gz PTBSTSSSAUSETJ-NRFANRHFSA-N 1 2 447.492 -0.686 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C(=O)NCCO)CC3)C2=O)c1 ZINC000728173151 1073384322 /nfs/dbraw/zinc/38/43/22/1073384322.db2.gz PTBSTSSSAUSETJ-OAQYLSRUSA-N 1 2 447.492 -0.686 20 0 IBADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000728306278 1070948855 /nfs/dbraw/zinc/94/88/55/1070948855.db2.gz CYQZNAGWORWZGP-UHFFFAOYSA-N 1 2 428.493 -0.224 20 0 IBADLO O=C(Cn1ccc(=O)[nH]c1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000728319156 1070963471 /nfs/dbraw/zinc/96/34/71/1070963471.db2.gz BAVYOBSNISVNGR-UHFFFAOYSA-N 1 2 428.445 -0.229 20 0 IBADLO O=C(NCCCN1CCOC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000728396031 1071024215 /nfs/dbraw/zinc/02/42/15/1071024215.db2.gz QLGHXERYBOEVOY-UHFFFAOYSA-N 1 2 440.526 -0.325 20 0 IBADLO CNC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000728679654 1071324573 /nfs/dbraw/zinc/32/45/73/1071324573.db2.gz BOYLRZRSAYNABC-UHFFFAOYSA-N 1 2 438.448 -0.377 20 0 IBADLO CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O)[NH+]1CCOCC1 ZINC000728793728 1071389519 /nfs/dbraw/zinc/38/95/19/1071389519.db2.gz HERWWZQRDGOLHR-NRFANRHFSA-N 1 2 431.493 -0.221 20 0 IBADLO CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O)[NH+]1CCOCC1 ZINC000728794099 1071389410 /nfs/dbraw/zinc/38/94/10/1071389410.db2.gz HERWWZQRDGOLHR-OAQYLSRUSA-N 1 2 431.493 -0.221 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000728866359 1071442291 /nfs/dbraw/zinc/44/22/91/1071442291.db2.gz BVVLANRXDYPYOO-UHFFFAOYSA-N 1 2 439.357 -0.192 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000728866359 1071442286 /nfs/dbraw/zinc/44/22/86/1071442286.db2.gz BVVLANRXDYPYOO-UHFFFAOYSA-N 1 2 439.357 -0.192 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1OCC ZINC000728867841 1072823101 /nfs/dbraw/zinc/82/31/01/1072823101.db2.gz TWVWKAMCNYTWFO-UHFFFAOYSA-N 1 2 442.538 -0.218 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1OCC ZINC000728867841 1072823098 /nfs/dbraw/zinc/82/30/98/1072823098.db2.gz TWVWKAMCNYTWFO-UHFFFAOYSA-N 1 2 442.538 -0.218 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000728869673 1071443116 /nfs/dbraw/zinc/44/31/16/1071443116.db2.gz WBVBPVOTDUKFJX-UHFFFAOYSA-N 1 2 430.552 -0.669 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000728869673 1071443108 /nfs/dbraw/zinc/44/31/08/1071443108.db2.gz WBVBPVOTDUKFJX-UHFFFAOYSA-N 1 2 430.552 -0.669 20 0 IBADLO CS(=O)(=O)CCNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000729155554 1071603402 /nfs/dbraw/zinc/60/34/02/1071603402.db2.gz UYKKZWFFLDEMPW-UHFFFAOYSA-N 1 2 435.597 -0.958 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(C(=O)NC3CC3)CC2)CC1 ZINC000729716498 1072955546 /nfs/dbraw/zinc/95/55/46/1072955546.db2.gz SSNBOUHABHWHNB-UHFFFAOYSA-N 1 2 427.465 -0.386 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCCCNC2=O)CC1 ZINC000729850266 1073047350 /nfs/dbraw/zinc/04/73/50/1073047350.db2.gz BTCNOTSDAGYPGY-HNNXBMFYSA-N 1 2 427.527 -0.275 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)CC1 ZINC000729850266 1073047337 /nfs/dbraw/zinc/04/73/37/1073047337.db2.gz BTCNOTSDAGYPGY-HNNXBMFYSA-N 1 2 427.527 -0.275 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000729850268 1073046594 /nfs/dbraw/zinc/04/65/94/1073046594.db2.gz BTCNOTSDAGYPGY-OAHLLOKOSA-N 1 2 427.527 -0.275 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000729850268 1073046586 /nfs/dbraw/zinc/04/65/86/1073046586.db2.gz BTCNOTSDAGYPGY-OAHLLOKOSA-N 1 2 427.527 -0.275 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)c(=O)[nH]c1=O ZINC000729850706 1073052521 /nfs/dbraw/zinc/05/25/21/1073052521.db2.gz QAJUXORADIUATE-AWEZNQCLSA-N 1 2 438.529 -0.089 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)[C@H]2CCCCNC2=O)c(=O)[nH]c1=O ZINC000729850706 1073052511 /nfs/dbraw/zinc/05/25/11/1073052511.db2.gz QAJUXORADIUATE-AWEZNQCLSA-N 1 2 438.529 -0.089 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c(=O)[nH]c1=O ZINC000729850708 1073052608 /nfs/dbraw/zinc/05/26/08/1073052608.db2.gz QAJUXORADIUATE-CQSZACIVSA-N 1 2 438.529 -0.089 20 0 IBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c(=O)[nH]c1=O ZINC000729850708 1073052603 /nfs/dbraw/zinc/05/26/03/1073052603.db2.gz QAJUXORADIUATE-CQSZACIVSA-N 1 2 438.529 -0.089 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCCCNC1=O ZINC000729850910 1073051161 /nfs/dbraw/zinc/05/11/61/1073051161.db2.gz URPMHKRIVBHJKC-KRWDZBQOSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCCCNC1=O ZINC000729850910 1073051145 /nfs/dbraw/zinc/05/11/45/1073051145.db2.gz URPMHKRIVBHJKC-KRWDZBQOSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCCNC1=O ZINC000729850911 1073051120 /nfs/dbraw/zinc/05/11/20/1073051120.db2.gz URPMHKRIVBHJKC-QGZVFWFLSA-N 1 2 438.550 -0.076 20 0 IBADLO C[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCCNC1=O ZINC000729850911 1073051112 /nfs/dbraw/zinc/05/11/12/1073051112.db2.gz URPMHKRIVBHJKC-QGZVFWFLSA-N 1 2 438.550 -0.076 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000729852341 1073055814 /nfs/dbraw/zinc/05/58/14/1073055814.db2.gz ZYVBWPFPGZWZPH-AWEZNQCLSA-N 1 2 438.529 -0.233 20 0 IBADLO COCCN(C(=O)C[N@H+](C)[C@H]1CCCCNC1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000729852341 1073055808 /nfs/dbraw/zinc/05/58/08/1073055808.db2.gz ZYVBWPFPGZWZPH-AWEZNQCLSA-N 1 2 438.529 -0.233 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000729852344 1073055852 /nfs/dbraw/zinc/05/58/52/1073055852.db2.gz ZYVBWPFPGZWZPH-CQSZACIVSA-N 1 2 438.529 -0.233 20 0 IBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000729852344 1073055841 /nfs/dbraw/zinc/05/58/41/1073055841.db2.gz ZYVBWPFPGZWZPH-CQSZACIVSA-N 1 2 438.529 -0.233 20 0 IBADLO COc1ncnc(OC)c1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000729875004 1073113089 /nfs/dbraw/zinc/11/30/89/1073113089.db2.gz PKRXCWICUGZOHH-UHFFFAOYSA-N 1 2 442.436 -0.324 20 0 IBADLO CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000730306261 1073388502 /nfs/dbraw/zinc/38/85/02/1073388502.db2.gz HCTSNSDZJOXPKK-AWEZNQCLSA-N 1 2 433.494 -0.524 20 0 IBADLO CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000730306262 1073388532 /nfs/dbraw/zinc/38/85/32/1073388532.db2.gz HCTSNSDZJOXPKK-CQSZACIVSA-N 1 2 433.494 -0.524 20 0 IBADLO CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000730319014 1073388965 /nfs/dbraw/zinc/38/89/65/1073388965.db2.gz WWYNQFBCTOKTFH-AWEZNQCLSA-N 1 2 447.521 -0.133 20 0 IBADLO CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000730319015 1073388945 /nfs/dbraw/zinc/38/89/45/1073388945.db2.gz WWYNQFBCTOKTFH-CQSZACIVSA-N 1 2 447.521 -0.133 20 0 IBADLO O=C(COC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000730658582 1073392426 /nfs/dbraw/zinc/39/24/26/1073392426.db2.gz LSWAOSLNYFCIQE-UHFFFAOYSA-N 1 2 432.481 -0.234 20 0 IBADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C[C@H](C)O1 ZINC000730937716 1073393595 /nfs/dbraw/zinc/39/35/95/1073393595.db2.gz DVMCEHHTHRYCHM-HOTGVXAUSA-N 1 2 446.595 -0.152 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C[C@@H](C)O1 ZINC000730937717 1073393539 /nfs/dbraw/zinc/39/35/39/1073393539.db2.gz DVMCEHHTHRYCHM-HZPDHXFCSA-N 1 2 446.595 -0.152 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C[C@H](C)O1 ZINC000730937718 1073393866 /nfs/dbraw/zinc/39/38/66/1073393866.db2.gz DVMCEHHTHRYCHM-IYBDPMFKSA-N 1 2 446.595 -0.152 20 0 IBADLO NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731188323 1073394711 /nfs/dbraw/zinc/39/47/11/1073394711.db2.gz JVPCLFQJRGLGBB-HNNXBMFYSA-N 1 2 431.493 -0.589 20 0 IBADLO NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731188324 1073394830 /nfs/dbraw/zinc/39/48/30/1073394830.db2.gz JVPCLFQJRGLGBB-OAHLLOKOSA-N 1 2 431.493 -0.589 20 0 IBADLO COCC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000731211191 1073394789 /nfs/dbraw/zinc/39/47/89/1073394789.db2.gz AWCXIEVURFBOOB-AWEZNQCLSA-N 1 2 430.527 -0.202 20 0 IBADLO COCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000731211191 1073394786 /nfs/dbraw/zinc/39/47/86/1073394786.db2.gz AWCXIEVURFBOOB-AWEZNQCLSA-N 1 2 430.527 -0.202 20 0 IBADLO COCC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000731211193 1073394906 /nfs/dbraw/zinc/39/49/06/1073394906.db2.gz AWCXIEVURFBOOB-CQSZACIVSA-N 1 2 430.527 -0.202 20 0 IBADLO COCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000731211193 1073394891 /nfs/dbraw/zinc/39/48/91/1073394891.db2.gz AWCXIEVURFBOOB-CQSZACIVSA-N 1 2 430.527 -0.202 20 0 IBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648308 1073401544 /nfs/dbraw/zinc/40/15/44/1073401544.db2.gz KSYVXARXXADZMG-KRWDZBQOSA-N 1 2 435.554 -0.100 20 0 IBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648309 1073402149 /nfs/dbraw/zinc/40/21/49/1073402149.db2.gz KSYVXARXXADZMG-QGZVFWFLSA-N 1 2 435.554 -0.100 20 0 IBADLO CN(CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000731648333 1073402256 /nfs/dbraw/zinc/40/22/56/1073402256.db2.gz LSOPKZPBYKKUQH-UHFFFAOYSA-N 1 2 442.563 -0.308 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC000731648436 1073401368 /nfs/dbraw/zinc/40/13/68/1073401368.db2.gz FHMHNUSJUANOBZ-KRWDZBQOSA-N 1 2 439.513 -0.129 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC000731648437 1073401448 /nfs/dbraw/zinc/40/14/48/1073401448.db2.gz FHMHNUSJUANOBZ-QGZVFWFLSA-N 1 2 439.513 -0.129 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648866 1073402200 /nfs/dbraw/zinc/40/22/00/1073402200.db2.gz LFWCMNIPRYRJOU-UHFFFAOYSA-N 1 2 447.579 -0.150 20 0 IBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731649403 1073402066 /nfs/dbraw/zinc/40/20/66/1073402066.db2.gz OUOGSFHSAHWWEQ-AWEZNQCLSA-N 1 2 447.579 -0.013 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1=O ZINC000731650222 1073402186 /nfs/dbraw/zinc/40/21/86/1073402186.db2.gz KKYISFYZUIDSFO-UHFFFAOYSA-N 1 2 436.534 -0.192 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731650434 1073402084 /nfs/dbraw/zinc/40/20/84/1073402084.db2.gz CUBFPOIQZKLQKV-UHFFFAOYSA-N 1 2 447.579 -0.150 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000731650531 1073402941 /nfs/dbraw/zinc/40/29/41/1073402941.db2.gz QWCWXLHCKGEVHF-UHFFFAOYSA-N 1 2 448.545 -0.317 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000731651202 1073402303 /nfs/dbraw/zinc/40/23/03/1073402303.db2.gz YIESBSXYTJSLEY-UHFFFAOYSA-N 1 2 434.518 -0.117 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(NC3CC[NH+](CCS(C)(=O)=O)CC3)nc2)CC1 ZINC000731663682 1073403515 /nfs/dbraw/zinc/40/35/15/1073403515.db2.gz OMOAPQXHROBKPH-UHFFFAOYSA-N 1 2 445.611 -0.061 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000731682074 1073404335 /nfs/dbraw/zinc/40/43/35/1073404335.db2.gz KXTWXZSVVHLCMN-UHFFFAOYSA-N 1 2 428.559 -0.421 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000731684711 1073404907 /nfs/dbraw/zinc/40/49/07/1073404907.db2.gz ITPSAUGVFUSAMZ-UHFFFAOYSA-N 1 2 442.629 -0.827 20 0 IBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731685779 1073403632 /nfs/dbraw/zinc/40/36/32/1073403632.db2.gz ATLVILBLJCCFEZ-INIZCTEOSA-N 1 2 431.603 -0.263 20 0 IBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731685780 1073403524 /nfs/dbraw/zinc/40/35/24/1073403524.db2.gz ATLVILBLJCCFEZ-MRXNPFEDSA-N 1 2 431.603 -0.263 20 0 IBADLO COc1ccnc(N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)n1 ZINC000731685811 1073402977 /nfs/dbraw/zinc/40/29/77/1073402977.db2.gz CAOIRXJVBVDUFT-UHFFFAOYSA-N 1 2 426.543 -0.174 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000731685852 1073402826 /nfs/dbraw/zinc/40/28/26/1073402826.db2.gz DNHXJMPTFNJKAP-UHFFFAOYSA-N 1 2 432.568 -0.227 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000731686013 1073402808 /nfs/dbraw/zinc/40/28/08/1073402808.db2.gz ILTIFUJMMNRLAC-UHFFFAOYSA-N 1 2 446.595 -0.086 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000731686043 1073402865 /nfs/dbraw/zinc/40/28/65/1073402865.db2.gz KPASLIINTZOCPF-UHFFFAOYSA-N 1 2 429.587 -0.555 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000731686148 1073402839 /nfs/dbraw/zinc/40/28/39/1073402839.db2.gz UBDNYPQKVFGUOV-UHFFFAOYSA-N 1 2 446.595 -0.086 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000731686172 1073402773 /nfs/dbraw/zinc/40/27/73/1073402773.db2.gz MKXFHZUBQPSMRG-UHFFFAOYSA-N 1 2 438.554 -0.479 20 0 IBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731686232 1073402961 /nfs/dbraw/zinc/40/29/61/1073402961.db2.gz PGVFUGOQDVTCQY-HNNXBMFYSA-N 1 2 429.587 -0.510 20 0 IBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731686233 1073403047 /nfs/dbraw/zinc/40/30/47/1073403047.db2.gz PGVFUGOQDVTCQY-OAHLLOKOSA-N 1 2 429.587 -0.510 20 0 IBADLO Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1-c1ccccc1 ZINC000731687172 1073403668 /nfs/dbraw/zinc/40/36/68/1073403668.db2.gz GVDUTUQIDOYNOQ-UHFFFAOYSA-N 1 2 433.538 -0.174 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cnc2n(C)c1=O ZINC000731752451 1073408784 /nfs/dbraw/zinc/40/87/84/1073408784.db2.gz GREDKFJYZSSAJC-UHFFFAOYSA-N 1 2 438.510 -0.737 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000731760802 1073409598 /nfs/dbraw/zinc/40/95/98/1073409598.db2.gz AQFKMMBYYWSSFS-UHFFFAOYSA-N 1 2 443.614 -0.165 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000731760901 1073409647 /nfs/dbraw/zinc/40/96/47/1073409647.db2.gz GTGZPOPPHRJQRK-INIZCTEOSA-N 1 2 430.571 -0.224 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000731760902 1073409457 /nfs/dbraw/zinc/40/94/57/1073409457.db2.gz GTGZPOPPHRJQRK-MRXNPFEDSA-N 1 2 430.571 -0.224 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000731761420 1073409412 /nfs/dbraw/zinc/40/94/12/1073409412.db2.gz KQGUTSUHEYOGCL-INIZCTEOSA-N 1 2 438.616 -0.001 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000731761421 1073409426 /nfs/dbraw/zinc/40/94/26/1073409426.db2.gz KQGUTSUHEYOGCL-MRXNPFEDSA-N 1 2 438.616 -0.001 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000731761678 1073409445 /nfs/dbraw/zinc/40/94/45/1073409445.db2.gz YICPYTIMZBMHBW-HNNXBMFYSA-N 1 2 443.522 -0.037 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000731761679 1073409663 /nfs/dbraw/zinc/40/96/63/1073409663.db2.gz YICPYTIMZBMHBW-OAHLLOKOSA-N 1 2 443.522 -0.037 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000731763492 1073410204 /nfs/dbraw/zinc/41/02/04/1073410204.db2.gz HXTUYHNKZWUJME-UHFFFAOYSA-N 1 2 443.547 -0.250 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000731763937 1073410880 /nfs/dbraw/zinc/41/08/80/1073410880.db2.gz ZQCBXTSQNHFAOE-UHFFFAOYSA-N 1 2 425.555 -0.182 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000731763941 1073410945 /nfs/dbraw/zinc/41/09/45/1073410945.db2.gz ZREHHHQRJQTNSS-UHFFFAOYSA-N 1 2 425.511 -0.932 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)CC1 ZINC000731764279 1073410902 /nfs/dbraw/zinc/41/09/02/1073410902.db2.gz UARUYBYLGJSDLH-UHFFFAOYSA-N 1 2 431.536 -0.393 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731837595 1073413086 /nfs/dbraw/zinc/41/30/86/1073413086.db2.gz CYNVCHCGIWVJPL-UHFFFAOYSA-N 1 2 445.563 -0.207 20 0 IBADLO COC(=O)CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)CC[NH+]1CCOCC1 ZINC000731847735 1073412242 /nfs/dbraw/zinc/41/22/42/1073412242.db2.gz YDIFKSUYUBTBLL-UHFFFAOYSA-N 1 2 439.513 -0.530 20 0 IBADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000732127832 1073420972 /nfs/dbraw/zinc/42/09/72/1073420972.db2.gz OWKDUJLEULTFIC-CVEARBPZSA-N 1 2 426.539 -0.135 20 0 IBADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000732127834 1073420984 /nfs/dbraw/zinc/42/09/84/1073420984.db2.gz OWKDUJLEULTFIC-HOTGVXAUSA-N 1 2 426.539 -0.135 20 0 IBADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000732127836 1073420804 /nfs/dbraw/zinc/42/08/04/1073420804.db2.gz OWKDUJLEULTFIC-HZPDHXFCSA-N 1 2 426.539 -0.135 20 0 IBADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000732127838 1073420844 /nfs/dbraw/zinc/42/08/44/1073420844.db2.gz OWKDUJLEULTFIC-JKSUJKDBSA-N 1 2 426.539 -0.135 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000732339263 1073424478 /nfs/dbraw/zinc/42/44/78/1073424478.db2.gz LJYVXAIXEIKAAC-UHFFFAOYSA-N 1 2 449.427 -0.248 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)CN3CC(=O)NC3=O)CC2)cc1OC ZINC000732355259 1073425317 /nfs/dbraw/zinc/42/53/17/1073425317.db2.gz JDHQPKHUWBYOEX-UHFFFAOYSA-N 1 2 448.476 -0.249 20 0 IBADLO CCn1nc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1=O ZINC000732371253 1073427970 /nfs/dbraw/zinc/42/79/70/1073427970.db2.gz WEKDQJVSRWPJOU-UHFFFAOYSA-N 1 2 426.437 -0.555 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732457911 1073427922 /nfs/dbraw/zinc/42/79/22/1073427922.db2.gz BYPYTBAWMSURBK-IBGZPJMESA-N 1 2 440.566 -0.109 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732457915 1073427962 /nfs/dbraw/zinc/42/79/62/1073427962.db2.gz BYPYTBAWMSURBK-LJQANCHMSA-N 1 2 440.566 -0.109 20 0 IBADLO COc1c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C)nn1C ZINC000732851684 1073436402 /nfs/dbraw/zinc/43/64/02/1073436402.db2.gz NEVFYQFXIXFEST-UHFFFAOYSA-N 1 2 428.453 -0.081 20 0 IBADLO CS(=O)(=O)NCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911774 1073438366 /nfs/dbraw/zinc/43/83/66/1073438366.db2.gz FBVUYZGGXPTDEX-AWEZNQCLSA-N 1 2 443.599 -0.705 20 0 IBADLO CS(=O)(=O)NCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911774 1073438347 /nfs/dbraw/zinc/43/83/47/1073438347.db2.gz FBVUYZGGXPTDEX-AWEZNQCLSA-N 1 2 443.599 -0.705 20 0 IBADLO CS(=O)(=O)NCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911775 1073438245 /nfs/dbraw/zinc/43/82/45/1073438245.db2.gz FBVUYZGGXPTDEX-CQSZACIVSA-N 1 2 443.599 -0.705 20 0 IBADLO CS(=O)(=O)NCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911775 1073438241 /nfs/dbraw/zinc/43/82/41/1073438241.db2.gz FBVUYZGGXPTDEX-CQSZACIVSA-N 1 2 443.599 -0.705 20 0 IBADLO CS(=O)(=O)CCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911798 1073438325 /nfs/dbraw/zinc/43/83/25/1073438325.db2.gz GDONIBNMWYSRQW-AWEZNQCLSA-N 1 2 428.584 -0.209 20 0 IBADLO CS(=O)(=O)CCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911798 1073438316 /nfs/dbraw/zinc/43/83/16/1073438316.db2.gz GDONIBNMWYSRQW-AWEZNQCLSA-N 1 2 428.584 -0.209 20 0 IBADLO CS(=O)(=O)CCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911799 1073438579 /nfs/dbraw/zinc/43/85/79/1073438579.db2.gz GDONIBNMWYSRQW-CQSZACIVSA-N 1 2 428.584 -0.209 20 0 IBADLO CS(=O)(=O)CCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911799 1073438574 /nfs/dbraw/zinc/43/85/74/1073438574.db2.gz GDONIBNMWYSRQW-CQSZACIVSA-N 1 2 428.584 -0.209 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732914144 1073438553 /nfs/dbraw/zinc/43/85/53/1073438553.db2.gz LXHPFFIWDBEZHV-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732914144 1073438544 /nfs/dbraw/zinc/43/85/44/1073438544.db2.gz LXHPFFIWDBEZHV-HNNXBMFYSA-N 1 2 426.543 -0.032 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732914145 1073438494 /nfs/dbraw/zinc/43/84/94/1073438494.db2.gz LXHPFFIWDBEZHV-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732914145 1073438484 /nfs/dbraw/zinc/43/84/84/1073438484.db2.gz LXHPFFIWDBEZHV-OAHLLOKOSA-N 1 2 426.543 -0.032 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915128 1073438610 /nfs/dbraw/zinc/43/86/10/1073438610.db2.gz WAFQPGHUVJYUQR-HNNXBMFYSA-N 1 2 441.558 -0.480 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915128 1073438603 /nfs/dbraw/zinc/43/86/03/1073438603.db2.gz WAFQPGHUVJYUQR-HNNXBMFYSA-N 1 2 441.558 -0.480 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915129 1073439286 /nfs/dbraw/zinc/43/92/86/1073439286.db2.gz WAFQPGHUVJYUQR-OAHLLOKOSA-N 1 2 441.558 -0.480 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915129 1073439279 /nfs/dbraw/zinc/43/92/79/1073439279.db2.gz WAFQPGHUVJYUQR-OAHLLOKOSA-N 1 2 441.558 -0.480 20 0 IBADLO COCCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916473 1073439248 /nfs/dbraw/zinc/43/92/48/1073439248.db2.gz SDRKZCKAJGIMOU-HNNXBMFYSA-N 1 2 427.527 -0.541 20 0 IBADLO COCCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916473 1073439243 /nfs/dbraw/zinc/43/92/43/1073439243.db2.gz SDRKZCKAJGIMOU-HNNXBMFYSA-N 1 2 427.527 -0.541 20 0 IBADLO COCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916474 1073439180 /nfs/dbraw/zinc/43/91/80/1073439180.db2.gz SDRKZCKAJGIMOU-OAHLLOKOSA-N 1 2 427.527 -0.541 20 0 IBADLO COCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916474 1073439174 /nfs/dbraw/zinc/43/91/74/1073439174.db2.gz SDRKZCKAJGIMOU-OAHLLOKOSA-N 1 2 427.527 -0.541 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000733358676 1073445541 /nfs/dbraw/zinc/44/55/41/1073445541.db2.gz FLSDVPVYCHEESH-UHFFFAOYSA-N 1 2 425.511 -0.667 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000733358676 1073445530 /nfs/dbraw/zinc/44/55/30/1073445530.db2.gz FLSDVPVYCHEESH-UHFFFAOYSA-N 1 2 425.511 -0.667 20 0 IBADLO COC(=O)N[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000733554512 1073450041 /nfs/dbraw/zinc/45/00/41/1073450041.db2.gz VMYVUDLRPJKCPW-HNNXBMFYSA-N 1 2 433.469 -0.064 20 0 IBADLO O=C(CN1CCC(=O)NC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000733561371 1073449803 /nfs/dbraw/zinc/44/98/03/1073449803.db2.gz IKEFODRNQLIDRG-UHFFFAOYSA-N 1 2 430.461 -0.249 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000733564397 1073450709 /nfs/dbraw/zinc/45/07/09/1073450709.db2.gz KMHBQSFCWPTFAQ-UHFFFAOYSA-N 1 2 446.464 -0.479 20 0 IBADLO CN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000733566394 1073451328 /nfs/dbraw/zinc/45/13/28/1073451328.db2.gz HABPUPBDMCHHAQ-UHFFFAOYSA-N 1 2 432.433 -0.901 20 0 IBADLO CN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000733566981 1073451415 /nfs/dbraw/zinc/45/14/15/1073451415.db2.gz VDSIGYFVAOOKCP-UHFFFAOYSA-N 1 2 444.444 -0.771 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)CC1 ZINC000733586058 1073452638 /nfs/dbraw/zinc/45/26/38/1073452638.db2.gz JYYQQTPEJGTQAB-UHFFFAOYSA-N 1 2 448.461 -0.135 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000733632214 1073452469 /nfs/dbraw/zinc/45/24/69/1073452469.db2.gz YJDZYBZSBGWHDB-UHFFFAOYSA-N 1 2 439.538 -0.078 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000733997294 1073463846 /nfs/dbraw/zinc/46/38/46/1073463846.db2.gz OJJFYYWRUXARAZ-AUUYWEPGSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000733997294 1073463840 /nfs/dbraw/zinc/46/38/40/1073463840.db2.gz OJJFYYWRUXARAZ-AUUYWEPGSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000733997295 1073464017 /nfs/dbraw/zinc/46/40/17/1073464017.db2.gz OJJFYYWRUXARAZ-IFXJQAMLSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000733997295 1073464012 /nfs/dbraw/zinc/46/40/12/1073464012.db2.gz OJJFYYWRUXARAZ-IFXJQAMLSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000733997296 1073463987 /nfs/dbraw/zinc/46/39/87/1073463987.db2.gz OJJFYYWRUXARAZ-KUHUBIRLSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000733997296 1073463978 /nfs/dbraw/zinc/46/39/78/1073463978.db2.gz OJJFYYWRUXARAZ-KUHUBIRLSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000733997297 1073463928 /nfs/dbraw/zinc/46/39/28/1073463928.db2.gz OJJFYYWRUXARAZ-LIRRHRJNSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000733997297 1073463919 /nfs/dbraw/zinc/46/39/19/1073463919.db2.gz OJJFYYWRUXARAZ-LIRRHRJNSA-N 1 2 437.522 -0.125 20 0 IBADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000734122707 1073466616 /nfs/dbraw/zinc/46/66/16/1073466616.db2.gz FDZZEISNPWNPJM-HNNXBMFYSA-N 1 2 433.575 -0.074 20 0 IBADLO COc1cc(C=O)ccc1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000734123106 1073467207 /nfs/dbraw/zinc/46/72/07/1073467207.db2.gz JQEACGZOISRWGA-UHFFFAOYSA-N 1 2 440.522 -0.477 20 0 IBADLO CNC(=O)c1cncc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000734123452 1073466629 /nfs/dbraw/zinc/46/66/29/1073466629.db2.gz OKXUPHJDWOKNGH-ARJAWSKDSA-N 1 2 436.538 -0.909 20 0 IBADLO CNC(=O)c1cncc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000734123453 1073466547 /nfs/dbraw/zinc/46/65/47/1073466547.db2.gz OKXUPHJDWOKNGH-ONEGZZNKSA-N 1 2 436.538 -0.909 20 0 IBADLO C=CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000734124345 1073467315 /nfs/dbraw/zinc/46/73/15/1073467315.db2.gz ZZWCLDJCCWCSJF-UHFFFAOYSA-N 1 2 435.550 -0.261 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000734276941 1073468806 /nfs/dbraw/zinc/46/88/06/1073468806.db2.gz LAIMXPRZAMCHNU-UHFFFAOYSA-N 1 2 438.554 -0.479 20 0 IBADLO CCN(CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000734422247 1073469380 /nfs/dbraw/zinc/46/93/80/1073469380.db2.gz PEONAODKOHVWTL-UHFFFAOYSA-N 1 2 433.575 -0.120 20 0 IBADLO COc1ccc(C=O)c(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000734422331 1073469584 /nfs/dbraw/zinc/46/95/84/1073469584.db2.gz RUJVIWHBZDGQFU-UHFFFAOYSA-N 1 2 440.522 -0.477 20 0 IBADLO CN(CC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000734469241 1073470518 /nfs/dbraw/zinc/47/05/18/1073470518.db2.gz XMXHNOWRIVWIEI-INIZCTEOSA-N 1 2 435.550 -0.410 20 0 IBADLO CN(CC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000734469242 1073470496 /nfs/dbraw/zinc/47/04/96/1073470496.db2.gz XMXHNOWRIVWIEI-MRXNPFEDSA-N 1 2 435.550 -0.410 20 0 IBADLO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000734836137 1073474258 /nfs/dbraw/zinc/47/42/58/1073474258.db2.gz ABJFEMGVXDOGHH-MSOLQXFVSA-N 1 2 438.550 -0.149 20 0 IBADLO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000734836140 1073474169 /nfs/dbraw/zinc/47/41/69/1073474169.db2.gz ABJFEMGVXDOGHH-QZTJIDSGSA-N 1 2 438.550 -0.149 20 0 IBADLO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000734836142 1073474275 /nfs/dbraw/zinc/47/42/75/1073474275.db2.gz ABJFEMGVXDOGHH-ROUUACIJSA-N 1 2 438.550 -0.149 20 0 IBADLO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000734836143 1073474178 /nfs/dbraw/zinc/47/41/78/1073474178.db2.gz ABJFEMGVXDOGHH-ZWKOTPCHSA-N 1 2 438.550 -0.149 20 0 IBADLO CS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000734836233 1073473380 /nfs/dbraw/zinc/47/33/80/1073473380.db2.gz BDVWTGDHSLQKAL-CVEARBPZSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000734836234 1073473592 /nfs/dbraw/zinc/47/35/92/1073473592.db2.gz BDVWTGDHSLQKAL-HOTGVXAUSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000734836235 1073473607 /nfs/dbraw/zinc/47/36/07/1073473607.db2.gz BDVWTGDHSLQKAL-HZPDHXFCSA-N 1 2 431.536 -0.884 20 0 IBADLO CS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000734836238 1073473527 /nfs/dbraw/zinc/47/35/27/1073473527.db2.gz BDVWTGDHSLQKAL-JKSUJKDBSA-N 1 2 431.536 -0.884 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000734836254 1073473508 /nfs/dbraw/zinc/47/35/08/1073473508.db2.gz BMPLDXQMNOWYAF-MSOLQXFVSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000734836257 1073474214 /nfs/dbraw/zinc/47/42/14/1073474214.db2.gz BMPLDXQMNOWYAF-QZTJIDSGSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000734836259 1073474151 /nfs/dbraw/zinc/47/41/51/1073474151.db2.gz BMPLDXQMNOWYAF-ROUUACIJSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000734836260 1073474304 /nfs/dbraw/zinc/47/43/04/1073474304.db2.gz BMPLDXQMNOWYAF-ZWKOTPCHSA-N 1 2 436.534 -0.395 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000734836863 1073474229 /nfs/dbraw/zinc/47/42/29/1073474229.db2.gz GQODQIATPSYOCX-MOPGFXCFSA-N 1 2 438.550 -0.451 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000734836864 1073474953 /nfs/dbraw/zinc/47/49/53/1073474953.db2.gz GQODQIATPSYOCX-OALUTQOASA-N 1 2 438.550 -0.451 20 0 IBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000734836865 1073474935 /nfs/dbraw/zinc/47/49/35/1073474935.db2.gz GQODQIATPSYOCX-RBUKOAKNSA-N 1 2 438.550 -0.451 20 0 IBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000734836866 1073474847 /nfs/dbraw/zinc/47/48/47/1073474847.db2.gz GQODQIATPSYOCX-RTBURBONSA-N 1 2 438.550 -0.451 20 0 IBADLO Cc1ncc2c(n1)CCC[C@H]2NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000734951420 1073476141 /nfs/dbraw/zinc/47/61/41/1073476141.db2.gz MNYUZSLQZUAKPP-GOSISDBHSA-N 1 2 437.570 -0.018 20 0 IBADLO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000734951425 1073476217 /nfs/dbraw/zinc/47/62/17/1073476217.db2.gz MNYUZSLQZUAKPP-SFHVURJKSA-N 1 2 437.570 -0.018 20 0 IBADLO Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)n(C)c1=O ZINC000735012626 1073477651 /nfs/dbraw/zinc/47/76/51/1073477651.db2.gz BTPUJKDJFQDLAZ-AWEZNQCLSA-N 1 2 429.481 -0.891 20 0 IBADLO Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(=O)n(C)c1=O ZINC000735012626 1073477644 /nfs/dbraw/zinc/47/76/44/1073477644.db2.gz BTPUJKDJFQDLAZ-AWEZNQCLSA-N 1 2 429.481 -0.891 20 0 IBADLO Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)n(C)c1=O ZINC000735012627 1073477680 /nfs/dbraw/zinc/47/76/80/1073477680.db2.gz BTPUJKDJFQDLAZ-CQSZACIVSA-N 1 2 429.481 -0.891 20 0 IBADLO Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(=O)n(C)c1=O ZINC000735012627 1073477674 /nfs/dbraw/zinc/47/76/74/1073477674.db2.gz BTPUJKDJFQDLAZ-CQSZACIVSA-N 1 2 429.481 -0.891 20 0 IBADLO Cn1cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000735150735 1073481387 /nfs/dbraw/zinc/48/13/87/1073481387.db2.gz WJHUDZMGWFCKOG-UHFFFAOYSA-N 1 2 430.461 -0.611 20 0 IBADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(=O)n(C)c1=O ZINC000735152866 1073482040 /nfs/dbraw/zinc/48/20/40/1073482040.db2.gz FZTMWPNVBCHADA-UHFFFAOYSA-N 1 2 442.472 -0.480 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cn(C)c(=O)n(C)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000735154035 1073483355 /nfs/dbraw/zinc/48/33/55/1073483355.db2.gz VLBQFIMFBIJIAZ-UHFFFAOYSA-N 1 2 444.492 -0.189 20 0 IBADLO Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000735313306 1073486211 /nfs/dbraw/zinc/48/62/11/1073486211.db2.gz KZHNVOBUXSRMRY-UHFFFAOYSA-N 1 2 437.975 -0.158 20 0 IBADLO C[C@H]1NC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000735822561 1073496165 /nfs/dbraw/zinc/49/61/65/1073496165.db2.gz CHAVFEZHXLMMAB-CVEARBPZSA-N 1 2 428.493 -0.626 20 0 IBADLO C[C@@H]1NC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000735822562 1073496616 /nfs/dbraw/zinc/49/66/16/1073496616.db2.gz CHAVFEZHXLMMAB-HOTGVXAUSA-N 1 2 428.493 -0.626 20 0 IBADLO C[C@H]1NC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000735822564 1073496658 /nfs/dbraw/zinc/49/66/58/1073496658.db2.gz CHAVFEZHXLMMAB-HZPDHXFCSA-N 1 2 428.493 -0.626 20 0 IBADLO C[C@@H]1NC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000735822566 1073496670 /nfs/dbraw/zinc/49/66/70/1073496670.db2.gz CHAVFEZHXLMMAB-JKSUJKDBSA-N 1 2 428.493 -0.626 20 0 IBADLO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000735822891 1073497927 /nfs/dbraw/zinc/49/79/27/1073497927.db2.gz JCWDULBVNQTUQZ-CRAIPNDOSA-N 1 2 428.493 -0.844 20 0 IBADLO NC(=O)[C@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000735822892 1073498027 /nfs/dbraw/zinc/49/80/27/1073498027.db2.gz JCWDULBVNQTUQZ-MAUKXSAKSA-N 1 2 428.493 -0.844 20 0 IBADLO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000735822893 1073497893 /nfs/dbraw/zinc/49/78/93/1073497893.db2.gz JCWDULBVNQTUQZ-QAPCUYQASA-N 1 2 428.493 -0.844 20 0 IBADLO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000735822894 1073498016 /nfs/dbraw/zinc/49/80/16/1073498016.db2.gz JCWDULBVNQTUQZ-YJBOKZPZSA-N 1 2 428.493 -0.844 20 0 IBADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000735822895 1073497997 /nfs/dbraw/zinc/49/79/97/1073497997.db2.gz JIPYBRYQEQZODV-AWEZNQCLSA-N 1 2 442.513 -0.213 20 0 IBADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000735822896 1073497965 /nfs/dbraw/zinc/49/79/65/1073497965.db2.gz JIPYBRYQEQZODV-CQSZACIVSA-N 1 2 442.513 -0.213 20 0 IBADLO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccc(F)cc1 ZINC000735823311 1073497870 /nfs/dbraw/zinc/49/78/70/1073497870.db2.gz PDYXDGWOUUTLKY-CRAIPNDOSA-N 1 2 446.483 -0.705 20 0 IBADLO NC(=O)[C@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccc(F)cc1 ZINC000735823312 1073498006 /nfs/dbraw/zinc/49/80/06/1073498006.db2.gz PDYXDGWOUUTLKY-MAUKXSAKSA-N 1 2 446.483 -0.705 20 0 IBADLO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccc(F)cc1 ZINC000735823313 1073497824 /nfs/dbraw/zinc/49/78/24/1073497824.db2.gz PDYXDGWOUUTLKY-QAPCUYQASA-N 1 2 446.483 -0.705 20 0 IBADLO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NN1c1ccc(F)cc1 ZINC000735823314 1073497942 /nfs/dbraw/zinc/49/79/42/1073497942.db2.gz PDYXDGWOUUTLKY-YJBOKZPZSA-N 1 2 446.483 -0.705 20 0 IBADLO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000735870775 1073498622 /nfs/dbraw/zinc/49/86/22/1073498622.db2.gz ZNQHOFLNDYDNJG-CYBMUJFWSA-N 1 2 444.583 -0.716 20 0 IBADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000735870776 1073498663 /nfs/dbraw/zinc/49/86/63/1073498663.db2.gz ZNQHOFLNDYDNJG-ZDUSSCGKSA-N 1 2 444.583 -0.716 20 0 IBADLO Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000735928160 1073499821 /nfs/dbraw/zinc/49/98/21/1073499821.db2.gz JEBBXOYQXFFXQD-CXAGYDPISA-N 1 2 433.431 -0.391 20 0 IBADLO Cn1ccnc1[C@@](O)(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000735928166 1073499884 /nfs/dbraw/zinc/49/98/84/1073499884.db2.gz JEBBXOYQXFFXQD-DYVFJYSZSA-N 1 2 433.431 -0.391 20 0 IBADLO Cn1ccnc1[C@@](O)(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000735928169 1073499928 /nfs/dbraw/zinc/49/99/28/1073499928.db2.gz JEBBXOYQXFFXQD-GUYCJALGSA-N 1 2 433.431 -0.391 20 0 IBADLO Cn1ccnc1[C@](O)(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000735928171 1073500267 /nfs/dbraw/zinc/50/02/67/1073500267.db2.gz JEBBXOYQXFFXQD-SUMWQHHRSA-N 1 2 433.431 -0.391 20 0 IBADLO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000735929035 1073500540 /nfs/dbraw/zinc/50/05/40/1073500540.db2.gz UJJVWZFCPJJCNZ-INIZCTEOSA-N 1 2 440.522 -0.469 20 0 IBADLO CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000735929036 1073500582 /nfs/dbraw/zinc/50/05/82/1073500582.db2.gz UJJVWZFCPJJCNZ-MRXNPFEDSA-N 1 2 440.522 -0.469 20 0 IBADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736150818 1073503423 /nfs/dbraw/zinc/50/34/23/1073503423.db2.gz BBTGHAVCKHCCLL-INIZCTEOSA-N 1 2 444.536 -0.140 20 0 IBADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736150820 1073503552 /nfs/dbraw/zinc/50/35/52/1073503552.db2.gz BBTGHAVCKHCCLL-MRXNPFEDSA-N 1 2 444.536 -0.140 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000736150870 1073503705 /nfs/dbraw/zinc/50/37/05/1073503705.db2.gz CBAIUVXJHKPMJU-INIZCTEOSA-N 1 2 443.504 -0.768 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000736150871 1073503829 /nfs/dbraw/zinc/50/38/29/1073503829.db2.gz CBAIUVXJHKPMJU-MRXNPFEDSA-N 1 2 443.504 -0.768 20 0 IBADLO CN(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000736151316 1073503773 /nfs/dbraw/zinc/50/37/73/1073503773.db2.gz CYPXLTSCKUEVPH-HNNXBMFYSA-N 1 2 449.533 -0.883 20 0 IBADLO CN(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000736151320 1073503462 /nfs/dbraw/zinc/50/34/62/1073503462.db2.gz CYPXLTSCKUEVPH-OAHLLOKOSA-N 1 2 449.533 -0.883 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736152185 1073503652 /nfs/dbraw/zinc/50/36/52/1073503652.db2.gz JHMCTRHRUCLOQI-AWEZNQCLSA-N 1 2 442.513 -0.261 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736152186 1073503533 /nfs/dbraw/zinc/50/35/33/1073503533.db2.gz JHMCTRHRUCLOQI-CQSZACIVSA-N 1 2 442.513 -0.261 20 0 IBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736152198 1073503589 /nfs/dbraw/zinc/50/35/89/1073503589.db2.gz JQMNUNLRRXHYSP-CYBMUJFWSA-N 1 2 444.941 -0.089 20 0 IBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736152201 1073503609 /nfs/dbraw/zinc/50/36/09/1073503609.db2.gz JQMNUNLRRXHYSP-ZDUSSCGKSA-N 1 2 444.941 -0.089 20 0 IBADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736153541 1073504290 /nfs/dbraw/zinc/50/42/90/1073504290.db2.gz QEECUDCDIXOFGJ-HNNXBMFYSA-N 1 2 430.509 -0.530 20 0 IBADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736153544 1073504242 /nfs/dbraw/zinc/50/42/42/1073504242.db2.gz QEECUDCDIXOFGJ-OAHLLOKOSA-N 1 2 430.509 -0.530 20 0 IBADLO CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736153875 1073503681 /nfs/dbraw/zinc/50/36/81/1073503681.db2.gz SMWZREJITJFZAA-INIZCTEOSA-N 1 2 440.522 -0.469 20 0 IBADLO CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736153876 1073504416 /nfs/dbraw/zinc/50/44/16/1073504416.db2.gz SMWZREJITJFZAA-MRXNPFEDSA-N 1 2 440.522 -0.469 20 0 IBADLO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000736153888 1073504181 /nfs/dbraw/zinc/50/41/81/1073504181.db2.gz SWUUNUZJTUZNFM-HTAPYJJXSA-N 1 2 443.504 -0.497 20 0 IBADLO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000736153890 1073504213 /nfs/dbraw/zinc/50/42/13/1073504213.db2.gz SWUUNUZJTUZNFM-JTSKRJEESA-N 1 2 443.504 -0.497 20 0 IBADLO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000736153893 1073504384 /nfs/dbraw/zinc/50/43/84/1073504384.db2.gz SWUUNUZJTUZNFM-VGOFRKELSA-N 1 2 443.504 -0.497 20 0 IBADLO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000736153895 1073504310 /nfs/dbraw/zinc/50/43/10/1073504310.db2.gz SWUUNUZJTUZNFM-VGSWGCGISA-N 1 2 443.504 -0.497 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000736154030 1073504448 /nfs/dbraw/zinc/50/44/48/1073504448.db2.gz VCCLTFFMRJLFSB-IBGZPJMESA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000736154032 1073504366 /nfs/dbraw/zinc/50/43/66/1073504366.db2.gz VCCLTFFMRJLFSB-LJQANCHMSA-N 1 2 429.521 -0.017 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000736154293 1073504333 /nfs/dbraw/zinc/50/43/33/1073504333.db2.gz WOQYEVRPPICCMA-HNNXBMFYSA-N 1 2 440.522 -0.273 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000736154294 1073504272 /nfs/dbraw/zinc/50/42/72/1073504272.db2.gz WOQYEVRPPICCMA-OAHLLOKOSA-N 1 2 440.522 -0.273 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000737008442 1073506314 /nfs/dbraw/zinc/50/63/14/1073506314.db2.gz BFDFZPJPRLEORK-UHFFFAOYSA-N 1 2 442.542 -0.628 20 0 IBADLO O=C(CCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000737269974 1073510851 /nfs/dbraw/zinc/51/08/51/1073510851.db2.gz HWNAJLFYHXAJBE-UHFFFAOYSA-N 1 2 449.475 -0.149 20 0 IBADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737847712 1073512170 /nfs/dbraw/zinc/51/21/70/1073512170.db2.gz SCQHMOCPTQGKRX-UHFFFAOYSA-N 1 2 437.522 -0.821 20 0 IBADLO Cn1cc(/C=C\C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)n(C)c1=O ZINC000737999205 1073511792 /nfs/dbraw/zinc/51/17/92/1073511792.db2.gz LASRYISCFUYQCO-ARJAWSKDSA-N 1 2 441.492 -0.927 20 0 IBADLO Cn1cc(/C=C\C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000737999205 1073511783 /nfs/dbraw/zinc/51/17/83/1073511783.db2.gz LASRYISCFUYQCO-ARJAWSKDSA-N 1 2 441.492 -0.927 20 0 IBADLO Cn1cc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)n(C)c1=O ZINC000737999207 1073512265 /nfs/dbraw/zinc/51/22/65/1073512265.db2.gz LASRYISCFUYQCO-ONEGZZNKSA-N 1 2 441.492 -0.927 20 0 IBADLO Cn1cc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000737999207 1073512249 /nfs/dbraw/zinc/51/22/49/1073512249.db2.gz LASRYISCFUYQCO-ONEGZZNKSA-N 1 2 441.492 -0.927 20 0 IBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737999697 1073512204 /nfs/dbraw/zinc/51/22/04/1073512204.db2.gz NHYLKNHILIEDCC-HNNXBMFYSA-N 1 2 441.579 -0.118 20 0 IBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737999697 1073512193 /nfs/dbraw/zinc/51/21/93/1073512193.db2.gz NHYLKNHILIEDCC-HNNXBMFYSA-N 1 2 441.579 -0.118 20 0 IBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737999698 1073512034 /nfs/dbraw/zinc/51/20/34/1073512034.db2.gz NHYLKNHILIEDCC-OAHLLOKOSA-N 1 2 441.579 -0.118 20 0 IBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737999698 1073512021 /nfs/dbraw/zinc/51/20/21/1073512021.db2.gz NHYLKNHILIEDCC-OAHLLOKOSA-N 1 2 441.579 -0.118 20 0 IBADLO COCCCn1cnn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=S ZINC000738024305 1073512065 /nfs/dbraw/zinc/51/20/65/1073512065.db2.gz UCJLCLUCCRSYPX-UHFFFAOYSA-N 1 2 433.604 -0.482 20 0 IBADLO CC[C@]1(C(C)C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000738024434 1073511932 /nfs/dbraw/zinc/51/19/32/1073511932.db2.gz UUFKIWBATSKCJT-GOSISDBHSA-N 1 2 430.575 -0.590 20 0 IBADLO CC[C@@]1(C(C)C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000738024439 1073511896 /nfs/dbraw/zinc/51/18/96/1073511896.db2.gz UUFKIWBATSKCJT-SFHVURJKSA-N 1 2 430.575 -0.590 20 0 IBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cn2nc(C)n(CC(=O)N(C)C)c2=S)CC1 ZINC000738161786 1073512718 /nfs/dbraw/zinc/51/27/18/1073512718.db2.gz VLWOJDJCRIGGMA-HNNXBMFYSA-N 1 2 441.602 -0.073 20 0 IBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cn2nc(C)n(CC(=O)N(C)C)c2=S)CC1 ZINC000738161789 1073512490 /nfs/dbraw/zinc/51/24/90/1073512490.db2.gz VLWOJDJCRIGGMA-OAHLLOKOSA-N 1 2 441.602 -0.073 20 0 IBADLO CC(C)CN1C(=O)C(=O)N(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000738287950 1073512810 /nfs/dbraw/zinc/51/28/10/1073512810.db2.gz AHVQHDWPZGIIJX-UHFFFAOYSA-N 1 2 431.497 -0.161 20 0 IBADLO O=C1NC2(CCOCC2)C(=O)N1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000738288728 1073512752 /nfs/dbraw/zinc/51/27/52/1073512752.db2.gz KHMJBYGLKRYFMA-UHFFFAOYSA-N 1 2 431.497 -0.506 20 0 IBADLO CN(C)S(=O)(=O)c1cnn(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000738289723 1073512560 /nfs/dbraw/zinc/51/25/60/1073512560.db2.gz QUHJLUAZIOMARH-UHFFFAOYSA-N 1 2 436.542 -0.460 20 0 IBADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000738327211 1073512615 /nfs/dbraw/zinc/51/26/15/1073512615.db2.gz XELUCZAPLYDYCN-UHFFFAOYSA-N 1 2 435.529 -0.055 20 0 IBADLO CCOC(=O)N1CCN(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000738342449 1073513144 /nfs/dbraw/zinc/51/31/44/1073513144.db2.gz CXEXMHOKKGKCDV-UHFFFAOYSA-N 1 2 447.540 -0.264 20 0 IBADLO CCOC(=O)C1=C(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)NC(=O)N[C@H]1C ZINC000738343981 1073513520 /nfs/dbraw/zinc/51/35/20/1073513520.db2.gz UZGMBITZFUJPRP-HNNXBMFYSA-N 1 2 445.524 -0.046 20 0 IBADLO CCOC(=O)C1=C(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)NC(=O)N[C@@H]1C ZINC000738343982 1073513580 /nfs/dbraw/zinc/51/35/80/1073513580.db2.gz UZGMBITZFUJPRP-OAHLLOKOSA-N 1 2 445.524 -0.046 20 0 IBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCC2(CC1)OCCO2 ZINC000738344065 1073513493 /nfs/dbraw/zinc/51/34/93/1073513493.db2.gz WTSHGUHPFWSTMU-UHFFFAOYSA-N 1 2 432.525 -0.199 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000738472512 1073513447 /nfs/dbraw/zinc/51/34/47/1073513447.db2.gz LASKKNGTNWQYLH-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000738472512 1073513435 /nfs/dbraw/zinc/51/34/35/1073513435.db2.gz LASKKNGTNWQYLH-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000738624267 1073513548 /nfs/dbraw/zinc/51/35/48/1073513548.db2.gz WQAWCYCSIXNXOC-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO CN(C1CCOCC1)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000739938879 1073517807 /nfs/dbraw/zinc/51/78/07/1073517807.db2.gz BYTXVBVXJPPQIU-UHFFFAOYSA-N 1 2 447.583 -0.521 20 0 IBADLO CN(C1CCOCC1)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000739963622 1073517935 /nfs/dbraw/zinc/51/79/35/1073517935.db2.gz MWXXYHMRLIWZNW-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO CN(C1CCOCC1)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000739963622 1073517920 /nfs/dbraw/zinc/51/79/20/1073517920.db2.gz MWXXYHMRLIWZNW-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)c2ccccn2)CC1 ZINC000740327520 1073518377 /nfs/dbraw/zinc/51/83/77/1073518377.db2.gz MMNCZQOYENSGKO-UHFFFAOYSA-N 1 2 438.448 -0.620 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[NH+](CCn4cncn4)CC3)C2=O)cc1 ZINC000740739167 1073520092 /nfs/dbraw/zinc/52/00/92/1073520092.db2.gz XWTIVKOYJKRCKE-NRFANRHFSA-N 1 2 441.492 -0.102 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[NH+](CCn4cncn4)CC3)C2=O)cc1 ZINC000740739168 1073520181 /nfs/dbraw/zinc/52/01/81/1073520181.db2.gz XWTIVKOYJKRCKE-OAQYLSRUSA-N 1 2 441.492 -0.102 20 0 IBADLO CC(C)C[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000740854395 1073520573 /nfs/dbraw/zinc/52/05/73/1073520573.db2.gz VZWFXWIDRVCIHI-IBGZPJMESA-N 1 2 429.587 -0.135 20 0 IBADLO CC(C)C[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000740854396 1073520644 /nfs/dbraw/zinc/52/06/44/1073520644.db2.gz VZWFXWIDRVCIHI-LJQANCHMSA-N 1 2 429.587 -0.135 20 0 IBADLO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000740878221 1073520992 /nfs/dbraw/zinc/52/09/92/1073520992.db2.gz UZRGSIJUJXKSOP-INIZCTEOSA-N 1 2 439.586 -0.676 20 0 IBADLO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000740878222 1073521120 /nfs/dbraw/zinc/52/11/20/1073521120.db2.gz UZRGSIJUJXKSOP-MRXNPFEDSA-N 1 2 439.586 -0.676 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)CC1 ZINC000740878276 1073521157 /nfs/dbraw/zinc/52/11/57/1073521157.db2.gz WZBCODNYNOQAPU-UHFFFAOYSA-N 1 2 444.583 -0.715 20 0 IBADLO COc1ccc(C(=O)NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000740878313 1073521058 /nfs/dbraw/zinc/52/10/58/1073521058.db2.gz YJVNVOJLDZHMNH-UHFFFAOYSA-N 1 2 439.538 -0.939 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cnc2n(C)c1=O ZINC000741059183 1073523364 /nfs/dbraw/zinc/52/33/64/1073523364.db2.gz QBWJXTIGWJQZHV-UHFFFAOYSA-N 1 2 428.453 -0.195 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000741199800 1073526443 /nfs/dbraw/zinc/52/64/43/1073526443.db2.gz AKCADNIDEQIUQL-HNNXBMFYSA-N 1 2 427.527 -0.421 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000741199801 1073526339 /nfs/dbraw/zinc/52/63/39/1073526339.db2.gz AKCADNIDEQIUQL-OAHLLOKOSA-N 1 2 427.527 -0.421 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741209314 1073525168 /nfs/dbraw/zinc/52/51/68/1073525168.db2.gz LEHBUEOMXZELOD-UHFFFAOYSA-N 1 2 425.530 -0.264 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741209314 1073525157 /nfs/dbraw/zinc/52/51/57/1073525157.db2.gz LEHBUEOMXZELOD-UHFFFAOYSA-N 1 2 425.530 -0.264 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C(=O)C1 ZINC000741213302 1073525941 /nfs/dbraw/zinc/52/59/41/1073525941.db2.gz NYYLLRLESYMYGG-UHFFFAOYSA-N 1 2 447.540 -0.206 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(=O)C1 ZINC000741213896 1073525855 /nfs/dbraw/zinc/52/58/55/1073525855.db2.gz JBQDAZROCWCMLR-UHFFFAOYSA-N 1 2 446.570 -0.309 20 0 IBADLO COCC(=O)N[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000741368591 1073530236 /nfs/dbraw/zinc/53/02/36/1073530236.db2.gz VHWYYBDKFKHJEW-KRWDZBQOSA-N 1 2 447.496 -0.658 20 0 IBADLO Cn1c2ncn(CCOC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000741376721 1073530777 /nfs/dbraw/zinc/53/07/77/1073530777.db2.gz DAQLFMQTMYAVAQ-INIZCTEOSA-N 1 2 427.461 -0.122 20 0 IBADLO Cn1c2ncn(CCOC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000741376721 1073530768 /nfs/dbraw/zinc/53/07/68/1073530768.db2.gz DAQLFMQTMYAVAQ-INIZCTEOSA-N 1 2 427.461 -0.122 20 0 IBADLO Cn1c2ncn(CCOC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000741376722 1073530868 /nfs/dbraw/zinc/53/08/68/1073530868.db2.gz DAQLFMQTMYAVAQ-MRXNPFEDSA-N 1 2 427.461 -0.122 20 0 IBADLO Cn1c2ncn(CCOC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2c(=O)n(C)c1=O ZINC000741376722 1073530859 /nfs/dbraw/zinc/53/08/59/1073530859.db2.gz DAQLFMQTMYAVAQ-MRXNPFEDSA-N 1 2 427.461 -0.122 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741377467 1073531626 /nfs/dbraw/zinc/53/16/26/1073531626.db2.gz HZNXBNGRPAINJK-IBGZPJMESA-N 1 2 432.521 -0.337 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741377467 1073531616 /nfs/dbraw/zinc/53/16/16/1073531616.db2.gz HZNXBNGRPAINJK-IBGZPJMESA-N 1 2 432.521 -0.337 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741377468 1073531464 /nfs/dbraw/zinc/53/14/64/1073531464.db2.gz HZNXBNGRPAINJK-LJQANCHMSA-N 1 2 432.521 -0.337 20 0 IBADLO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741377468 1073531456 /nfs/dbraw/zinc/53/14/56/1073531456.db2.gz HZNXBNGRPAINJK-LJQANCHMSA-N 1 2 432.521 -0.337 20 0 IBADLO CN(CCCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000741388152 1073530198 /nfs/dbraw/zinc/53/01/98/1073530198.db2.gz RFPXHCRFUHYOJA-KRWDZBQOSA-N 1 2 427.523 -0.172 20 0 IBADLO CN(CCCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000741388152 1073530188 /nfs/dbraw/zinc/53/01/88/1073530188.db2.gz RFPXHCRFUHYOJA-KRWDZBQOSA-N 1 2 427.523 -0.172 20 0 IBADLO CN(CCCNC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000741388153 1073530159 /nfs/dbraw/zinc/53/01/59/1073530159.db2.gz RFPXHCRFUHYOJA-QGZVFWFLSA-N 1 2 427.523 -0.172 20 0 IBADLO CN(CCCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000741388153 1073530145 /nfs/dbraw/zinc/53/01/45/1073530145.db2.gz RFPXHCRFUHYOJA-QGZVFWFLSA-N 1 2 427.523 -0.172 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cn1 ZINC000741654214 1073533838 /nfs/dbraw/zinc/53/38/38/1073533838.db2.gz MGRXQXKUFSDQHD-UHFFFAOYSA-N 1 2 447.514 -0.096 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cn1 ZINC000741655206 1073534017 /nfs/dbraw/zinc/53/40/17/1073534017.db2.gz VLLWRKSCHSQPDF-UHFFFAOYSA-N 1 2 447.514 -0.096 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC000741780307 1073536182 /nfs/dbraw/zinc/53/61/82/1073536182.db2.gz UCCVRBMGQGYJOH-UHFFFAOYSA-N 1 2 425.507 -0.023 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC000741780307 1073536170 /nfs/dbraw/zinc/53/61/70/1073536170.db2.gz UCCVRBMGQGYJOH-UHFFFAOYSA-N 1 2 425.507 -0.023 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000742296706 1073541891 /nfs/dbraw/zinc/54/18/91/1073541891.db2.gz ZXLOOARDEQHGOR-AWEZNQCLSA-N 1 2 433.556 -0.754 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000742296706 1073541885 /nfs/dbraw/zinc/54/18/85/1073541885.db2.gz ZXLOOARDEQHGOR-AWEZNQCLSA-N 1 2 433.556 -0.754 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000742296707 1073541694 /nfs/dbraw/zinc/54/16/94/1073541694.db2.gz ZXLOOARDEQHGOR-CQSZACIVSA-N 1 2 433.556 -0.754 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000742296707 1073541685 /nfs/dbraw/zinc/54/16/85/1073541685.db2.gz ZXLOOARDEQHGOR-CQSZACIVSA-N 1 2 433.556 -0.754 20 0 IBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000742532317 1073543334 /nfs/dbraw/zinc/54/33/34/1073543334.db2.gz KHWGUNQCTUUHRW-HNNXBMFYSA-N 1 2 433.575 -0.074 20 0 IBADLO CS(=O)(=O)CCN1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000743169503 1073547570 /nfs/dbraw/zinc/54/75/70/1073547570.db2.gz UFNZOWAEDILFDF-UHFFFAOYSA-N 1 2 428.559 -0.154 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000743169503 1073547555 /nfs/dbraw/zinc/54/75/55/1073547555.db2.gz UFNZOWAEDILFDF-UHFFFAOYSA-N 1 2 428.559 -0.154 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000743204274 1073547749 /nfs/dbraw/zinc/54/77/49/1073547749.db2.gz OENKGKAPWFBYSR-UHFFFAOYSA-N 1 2 433.498 -0.042 20 0 IBADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000743417607 1073548701 /nfs/dbraw/zinc/54/87/01/1073548701.db2.gz JSNKRJZXHQSZSS-GFCCVEGCSA-N 1 2 430.914 -0.350 20 0 IBADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000743417612 1073548915 /nfs/dbraw/zinc/54/89/15/1073548915.db2.gz JSNKRJZXHQSZSS-LBPRGKRZSA-N 1 2 430.914 -0.350 20 0 IBADLO Cn1cc([C@@H](O)CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000743552438 1073549409 /nfs/dbraw/zinc/54/94/09/1073549409.db2.gz ZTRGZCDXDCHYML-INIZCTEOSA-N 1 2 437.526 -0.700 20 0 IBADLO Cn1cc([C@H](O)CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000743552448 1073640135 /nfs/dbraw/zinc/64/01/35/1073640135.db2.gz ZTRGZCDXDCHYML-MRXNPFEDSA-N 1 2 437.526 -0.700 20 0 IBADLO Cn1ccc(N2CCC[C@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)n1 ZINC000743603285 1073640113 /nfs/dbraw/zinc/64/01/13/1073640113.db2.gz YIWRUXRVUKBUCO-HNNXBMFYSA-N 1 2 426.543 -0.276 20 0 IBADLO Cn1ccc(N2CCC[C@@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)n1 ZINC000743603286 1073549433 /nfs/dbraw/zinc/54/94/33/1073549433.db2.gz YIWRUXRVUKBUCO-OAHLLOKOSA-N 1 2 426.543 -0.276 20 0 IBADLO CS(=O)(=O)CCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000743640357 1073550585 /nfs/dbraw/zinc/55/05/85/1073550585.db2.gz SPXYHYARDOFKAO-UHFFFAOYSA-N 1 2 442.542 -0.794 20 0 IBADLO CS(=O)(=O)CCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000743640357 1073550576 /nfs/dbraw/zinc/55/05/76/1073550576.db2.gz SPXYHYARDOFKAO-UHFFFAOYSA-N 1 2 442.542 -0.794 20 0 IBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c2)CC1 ZINC000743931299 1073554890 /nfs/dbraw/zinc/55/48/90/1073554890.db2.gz CHFHVKDJBRYRTI-UHFFFAOYSA-N 1 2 426.539 -0.450 20 0 IBADLO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000745455737 1073576628 /nfs/dbraw/zinc/57/66/28/1073576628.db2.gz IIVSPXDSRWLMNL-AQTBWJFISA-N 1 2 426.539 -0.557 20 0 IBADLO NC(=O)Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000745468185 1073577473 /nfs/dbraw/zinc/57/74/73/1073577473.db2.gz OVVPCUINZXLAKO-UHFFFAOYSA-N 1 2 428.449 -0.801 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)nc(C(C)C)[nH+]1 ZINC000745470902 1073577495 /nfs/dbraw/zinc/57/74/95/1073577495.db2.gz LTGABGQQYCSGKJ-UHFFFAOYSA-N 1 2 430.469 -0.509 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC2(C1)OCCO2 ZINC000745517591 1073578751 /nfs/dbraw/zinc/57/87/51/1073578751.db2.gz ADTPJWIHWZRECA-UHFFFAOYSA-N 1 2 425.511 -0.308 20 0 IBADLO CC[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1CCCC1=O ZINC000745690870 1073579142 /nfs/dbraw/zinc/57/91/42/1073579142.db2.gz FVOHZIRBNYRBGR-HNNXBMFYSA-N 1 2 429.481 -0.044 20 0 IBADLO CC[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1CCCC1=O ZINC000745690871 1073579164 /nfs/dbraw/zinc/57/91/64/1073579164.db2.gz FVOHZIRBNYRBGR-OAHLLOKOSA-N 1 2 429.481 -0.044 20 0 IBADLO CS(=O)(=O)CCOCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000745789599 1073580811 /nfs/dbraw/zinc/58/08/11/1073580811.db2.gz NYAVZBFVDHHFMO-UHFFFAOYSA-N 1 2 427.527 -0.519 20 0 IBADLO CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000745812490 1073581159 /nfs/dbraw/zinc/58/11/59/1073581159.db2.gz RTLDINBHCKZECN-UHFFFAOYSA-N 1 2 431.603 -0.309 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000746219452 1073585380 /nfs/dbraw/zinc/58/53/80/1073585380.db2.gz SMFHEUNICGACDS-UHFFFAOYSA-N 1 2 426.495 -0.839 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000746219452 1073585368 /nfs/dbraw/zinc/58/53/68/1073585368.db2.gz SMFHEUNICGACDS-UHFFFAOYSA-N 1 2 426.495 -0.839 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000746308506 1073587078 /nfs/dbraw/zinc/58/70/78/1073587078.db2.gz XRFBYKBXFVLFLW-CYBMUJFWSA-N 1 2 430.465 -0.496 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000746308507 1073586870 /nfs/dbraw/zinc/58/68/70/1073586870.db2.gz XRFBYKBXFVLFLW-ZDUSSCGKSA-N 1 2 430.465 -0.496 20 0 IBADLO O=C(NC[C@H](O)COc1cccc(F)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746364873 1073587802 /nfs/dbraw/zinc/58/78/02/1073587802.db2.gz NJLAOFRHQFJBRK-KRWDZBQOSA-N 1 2 435.456 -0.151 20 0 IBADLO O=C(NC[C@@H](O)COc1cccc(F)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746364875 1073587660 /nfs/dbraw/zinc/58/76/60/1073587660.db2.gz NJLAOFRHQFJBRK-QGZVFWFLSA-N 1 2 435.456 -0.151 20 0 IBADLO O=C(NCCS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000746381043 1073589057 /nfs/dbraw/zinc/58/90/57/1073589057.db2.gz IKLDYYKMEMVEOX-UHFFFAOYSA-N 1 2 449.533 -0.115 20 0 IBADLO O=C(NCCS(=O)(=O)Cc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746382092 1073588953 /nfs/dbraw/zinc/58/89/53/1073588953.db2.gz OKFBEHKODAKAPZ-UHFFFAOYSA-N 1 2 449.533 -0.115 20 0 IBADLO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000746386805 1073589013 /nfs/dbraw/zinc/58/90/13/1073589013.db2.gz UXCVREXYGOAPLY-BTYIYWSLSA-N 1 2 429.477 -0.335 20 0 IBADLO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000746386806 1073588754 /nfs/dbraw/zinc/58/87/54/1073588754.db2.gz UXCVREXYGOAPLY-QVKFZJNVSA-N 1 2 429.477 -0.335 20 0 IBADLO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000746386807 1073588905 /nfs/dbraw/zinc/58/89/05/1073588905.db2.gz UXCVREXYGOAPLY-VFNWGFHPSA-N 1 2 429.477 -0.335 20 0 IBADLO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000746386808 1073589592 /nfs/dbraw/zinc/58/95/92/1073589592.db2.gz UXCVREXYGOAPLY-YCRPNKLZSA-N 1 2 429.477 -0.335 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746395104 1073589666 /nfs/dbraw/zinc/58/96/66/1073589666.db2.gz SRPSDSISAHHSNP-SFHVURJKSA-N 1 2 438.550 -0.597 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2C[NH+](CCC(=O)N3CCOCC3)C2)CC1 ZINC000746491683 1073629423 /nfs/dbraw/zinc/62/94/23/1073629423.db2.gz FIKZKFKTSCBNBN-UHFFFAOYSA-N 1 2 446.570 -0.198 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC([C@]3(C)NC(=O)NC3=O)CC1)C2=O ZINC000746497246 1073643536 /nfs/dbraw/zinc/64/35/36/1073643536.db2.gz LNMYOWUQZGCBOT-GSBZXEOGSA-N 1 2 434.497 -0.172 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC([C@@]3(C)NC(=O)NC3=O)CC1)C2=O ZINC000746497250 1073643548 /nfs/dbraw/zinc/64/35/48/1073643548.db2.gz LNMYOWUQZGCBOT-JLDPNGGESA-N 1 2 434.497 -0.172 20 0 IBADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000746507295 1073677175 /nfs/dbraw/zinc/67/71/75/1073677175.db2.gz IYHPIOBNAATUOB-UHFFFAOYSA-N 1 2 447.579 -0.011 20 0 IBADLO O=S(=O)(c1ccc(NC(=S)NC[C@H]2C[NH+]3CCN2CC3)cc1)N1CCOCC1 ZINC000746546107 1073697576 /nfs/dbraw/zinc/69/75/76/1073697576.db2.gz ZHXSYOGOIVIGMC-INIZCTEOSA-N 1 2 425.580 -0.006 20 0 IBADLO O=S(=O)(c1ccc(NC(=S)NC[C@@H]2C[NH+]3CCN2CC3)cc1)N1CCOCC1 ZINC000746546108 1073697619 /nfs/dbraw/zinc/69/76/19/1073697619.db2.gz ZHXSYOGOIVIGMC-MRXNPFEDSA-N 1 2 425.580 -0.006 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000746725454 1073761175 /nfs/dbraw/zinc/76/11/75/1073761175.db2.gz JIWURKBNVDOQQW-UHFFFAOYSA-N 1 2 438.597 -0.165 20 0 IBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000746809295 1073779955 /nfs/dbraw/zinc/77/99/55/1073779955.db2.gz CTJGMQZFNHYHHQ-HNNXBMFYSA-N 1 2 431.493 -0.343 20 0 IBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000746809297 1073779860 /nfs/dbraw/zinc/77/98/60/1073779860.db2.gz CTJGMQZFNHYHHQ-OAHLLOKOSA-N 1 2 431.493 -0.343 20 0 IBADLO CC(C)c1nnnn1CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000747025416 1073811094 /nfs/dbraw/zinc/81/10/94/1073811094.db2.gz HDMSDNABRYILFE-UHFFFAOYSA-N 1 2 428.457 -0.635 20 0 IBADLO CC(=O)N1CC[C@](C)(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000747085559 1073820515 /nfs/dbraw/zinc/82/05/15/1073820515.db2.gz IIVCUKWKIYLBJB-FQEVSTJZSA-N 1 2 429.481 -0.186 20 0 IBADLO CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000747085560 1073820373 /nfs/dbraw/zinc/82/03/73/1073820373.db2.gz IIVCUKWKIYLBJB-HXUWFJFHSA-N 1 2 429.481 -0.186 20 0 IBADLO Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000747213966 1073856975 /nfs/dbraw/zinc/85/69/75/1073856975.db2.gz KBEWKNIZFOPFOH-KBXCAEBGSA-N 1 2 447.458 -0.143 20 0 IBADLO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000747213967 1073857016 /nfs/dbraw/zinc/85/70/16/1073857016.db2.gz KBEWKNIZFOPFOH-KDOFPFPSSA-N 1 2 447.458 -0.143 20 0 IBADLO Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000747213968 1073856927 /nfs/dbraw/zinc/85/69/27/1073856927.db2.gz KBEWKNIZFOPFOH-KSSFIOAISA-N 1 2 447.458 -0.143 20 0 IBADLO Cn1ccnc1[C@](O)(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)F ZINC000747213969 1073856882 /nfs/dbraw/zinc/85/68/82/1073856882.db2.gz KBEWKNIZFOPFOH-RDTXWAMCSA-N 1 2 447.458 -0.143 20 0 IBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000747314279 1073890876 /nfs/dbraw/zinc/89/08/76/1073890876.db2.gz HQCRVXFXXPKDGZ-CVEARBPZSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000747314282 1073890649 /nfs/dbraw/zinc/89/06/49/1073890649.db2.gz HQCRVXFXXPKDGZ-HOTGVXAUSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000747314284 1073890634 /nfs/dbraw/zinc/89/06/34/1073890634.db2.gz HQCRVXFXXPKDGZ-HZPDHXFCSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000747314285 1073890732 /nfs/dbraw/zinc/89/07/32/1073890732.db2.gz HQCRVXFXXPKDGZ-JKSUJKDBSA-N 1 2 434.518 -0.260 20 0 IBADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000747360680 1073904336 /nfs/dbraw/zinc/90/43/36/1073904336.db2.gz ZSINLQZZNOOYQB-UHFFFAOYSA-N 1 2 426.543 -0.136 20 0 IBADLO CC(=O)N1CSC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000747377662 1073913942 /nfs/dbraw/zinc/91/39/42/1073913942.db2.gz YTNLIGZCVLUKHJ-HNNXBMFYSA-N 1 2 427.552 -0.429 20 0 IBADLO CC(=O)N1CSC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000747377665 1073913991 /nfs/dbraw/zinc/91/39/91/1073913991.db2.gz YTNLIGZCVLUKHJ-OAHLLOKOSA-N 1 2 427.552 -0.429 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000747561112 1073961520 /nfs/dbraw/zinc/96/15/20/1073961520.db2.gz FRFVMQHTHXWWRA-UHFFFAOYSA-N 1 2 428.559 -0.154 20 0 IBADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000747563895 1073962989 /nfs/dbraw/zinc/96/29/89/1073962989.db2.gz ZTMZTXMSVDDKKX-UHFFFAOYSA-N 1 2 443.574 -0.049 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000747569650 1073965582 /nfs/dbraw/zinc/96/55/82/1073965582.db2.gz FELYNOBVYYAZQN-UHFFFAOYSA-N 1 2 442.542 -0.628 20 0 IBADLO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC000747570829 1073965510 /nfs/dbraw/zinc/96/55/10/1073965510.db2.gz KXOZOKLBVJSNRT-UHFFFAOYSA-N 1 2 430.531 -0.724 20 0 IBADLO CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000747812135 1073998432 /nfs/dbraw/zinc/99/84/32/1073998432.db2.gz UPAJWORGHCSGDA-LWLPBDFMSA-N 1 2 433.552 -0.409 20 0 IBADLO CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000747812135 1073998427 /nfs/dbraw/zinc/99/84/27/1073998427.db2.gz UPAJWORGHCSGDA-LWLPBDFMSA-N 1 2 433.552 -0.409 20 0 IBADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000747882259 1074006758 /nfs/dbraw/zinc/00/67/58/1074006758.db2.gz MUVKGGMDKPJEKI-UHFFFAOYSA-N 1 2 437.522 -0.821 20 0 IBADLO COC(=O)c1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000748087541 1070830502 /nfs/dbraw/zinc/83/05/02/1070830502.db2.gz QXBMFTPFDYCOFG-UHFFFAOYSA-N 1 2 436.538 -0.110 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000748107293 1070861501 /nfs/dbraw/zinc/86/15/01/1070861501.db2.gz PYUVJWJSUUGIRH-UHFFFAOYSA-N 1 2 439.538 -0.142 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748111930 1070863008 /nfs/dbraw/zinc/86/30/08/1070863008.db2.gz UOOPUQMNANGNMC-GOSISDBHSA-N 1 2 426.539 -0.151 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748111930 1070862981 /nfs/dbraw/zinc/86/29/81/1070862981.db2.gz UOOPUQMNANGNMC-GOSISDBHSA-N 1 2 426.539 -0.151 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748111931 1070863783 /nfs/dbraw/zinc/86/37/83/1070863783.db2.gz UOOPUQMNANGNMC-SFHVURJKSA-N 1 2 426.539 -0.151 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748111931 1070863756 /nfs/dbraw/zinc/86/37/56/1070863756.db2.gz UOOPUQMNANGNMC-SFHVURJKSA-N 1 2 426.539 -0.151 20 0 IBADLO O=C(CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2cccc[nH+]2)CC1 ZINC000748241866 1072713492 /nfs/dbraw/zinc/71/34/92/1072713492.db2.gz LOMFWKSDFYGAPR-UHFFFAOYSA-N 1 2 444.517 -0.266 20 0 IBADLO Cn1cc(/C=C\C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000748242262 1072713563 /nfs/dbraw/zinc/71/35/63/1072713563.db2.gz QLJZWULQCTTXTO-SREVYHEPSA-N 1 2 426.477 -0.653 20 0 IBADLO Cn1cc(/C=C/C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000748242264 1072713427 /nfs/dbraw/zinc/71/34/27/1072713427.db2.gz QLJZWULQCTTXTO-VOTSOKGWSA-N 1 2 426.477 -0.653 20 0 IBADLO O=C(CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000748242604 1072713461 /nfs/dbraw/zinc/71/34/61/1072713461.db2.gz RZBOGEUFIIDNKQ-UHFFFAOYSA-N 1 2 444.517 -0.266 20 0 IBADLO NS(=O)(=O)c1cnn(CC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000748420921 1072715827 /nfs/dbraw/zinc/71/58/27/1072715827.db2.gz CFSJNSPZAPDRQN-UHFFFAOYSA-N 1 2 437.478 -0.455 20 0 IBADLO NS(=O)(=O)c1cnn(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000748421503 1072715917 /nfs/dbraw/zinc/71/59/17/1072715917.db2.gz HAMLMIXMTTZPPX-UHFFFAOYSA-N 1 2 427.508 -0.520 20 0 IBADLO NS(=O)(=O)c1cnn(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000748429250 1072717179 /nfs/dbraw/zinc/71/71/79/1072717179.db2.gz QIEPCAHJUILJDL-UHFFFAOYSA-N 1 2 427.508 -0.520 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000748457227 1072719202 /nfs/dbraw/zinc/71/92/02/1072719202.db2.gz KXJRMGCDCHLRRZ-GOSISDBHSA-N 1 2 439.534 -0.076 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000748457227 1072719199 /nfs/dbraw/zinc/71/91/99/1072719199.db2.gz KXJRMGCDCHLRRZ-GOSISDBHSA-N 1 2 439.534 -0.076 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000748457228 1072719434 /nfs/dbraw/zinc/71/94/34/1072719434.db2.gz KXJRMGCDCHLRRZ-SFHVURJKSA-N 1 2 439.534 -0.076 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000748457228 1072719428 /nfs/dbraw/zinc/71/94/28/1072719428.db2.gz KXJRMGCDCHLRRZ-SFHVURJKSA-N 1 2 439.534 -0.076 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000748461056 1072719300 /nfs/dbraw/zinc/71/93/00/1072719300.db2.gz UWPSFXFKPLJRKG-KRWDZBQOSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000748461056 1072719291 /nfs/dbraw/zinc/71/92/91/1072719291.db2.gz UWPSFXFKPLJRKG-KRWDZBQOSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000748461057 1072719385 /nfs/dbraw/zinc/71/93/85/1072719385.db2.gz UWPSFXFKPLJRKG-QGZVFWFLSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000748461057 1072719373 /nfs/dbraw/zinc/71/93/73/1072719373.db2.gz UWPSFXFKPLJRKG-QGZVFWFLSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000748461578 1072719139 /nfs/dbraw/zinc/71/91/39/1072719139.db2.gz VXUKXXILHJMZON-KRWDZBQOSA-N 1 2 425.507 -0.217 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000748461578 1072719129 /nfs/dbraw/zinc/71/91/29/1072719129.db2.gz VXUKXXILHJMZON-KRWDZBQOSA-N 1 2 425.507 -0.217 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000748461579 1072719355 /nfs/dbraw/zinc/71/93/55/1072719355.db2.gz VXUKXXILHJMZON-QGZVFWFLSA-N 1 2 425.507 -0.217 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000748461579 1072719347 /nfs/dbraw/zinc/71/93/47/1072719347.db2.gz VXUKXXILHJMZON-QGZVFWFLSA-N 1 2 425.507 -0.217 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000748461642 1072719456 /nfs/dbraw/zinc/71/94/56/1072719456.db2.gz VJBCBOKIUBYVMS-KRWDZBQOSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000748461642 1072719450 /nfs/dbraw/zinc/71/94/50/1072719450.db2.gz VJBCBOKIUBYVMS-KRWDZBQOSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000748461644 1072719407 /nfs/dbraw/zinc/71/94/07/1072719407.db2.gz VJBCBOKIUBYVMS-QGZVFWFLSA-N 1 2 441.506 -0.090 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000748461644 1072719401 /nfs/dbraw/zinc/71/94/01/1072719401.db2.gz VJBCBOKIUBYVMS-QGZVFWFLSA-N 1 2 441.506 -0.090 20 0 IBADLO CC(C)(C)OC(=O)N1CC(OCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000748540275 1072720335 /nfs/dbraw/zinc/72/03/35/1072720335.db2.gz GMEUHOQJHTYLRP-HNNXBMFYSA-N 1 2 426.514 -0.328 20 0 IBADLO CC(C)(C)OC(=O)N1CC(OCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000748540276 1072720313 /nfs/dbraw/zinc/72/03/13/1072720313.db2.gz GMEUHOQJHTYLRP-OAHLLOKOSA-N 1 2 426.514 -0.328 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2C[NH+](CCCC(=O)NC(N)=O)C2)CC1 ZINC000748825489 1072724226 /nfs/dbraw/zinc/72/42/26/1072724226.db2.gz WXVGOPGVNOKMTN-UHFFFAOYSA-N 1 2 433.531 -0.472 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN3CCOCC3)C2=O)cc1 ZINC000749026545 1072727018 /nfs/dbraw/zinc/72/70/18/1072727018.db2.gz PMUGNQWKPPDBAB-NRFANRHFSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CCO)CCN3CCOCC3)C2=O)cc1 ZINC000749026545 1072727012 /nfs/dbraw/zinc/72/70/12/1072727012.db2.gz PMUGNQWKPPDBAB-NRFANRHFSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN3CCOCC3)C2=O)cc1 ZINC000749026547 1072727045 /nfs/dbraw/zinc/72/70/45/1072727045.db2.gz PMUGNQWKPPDBAB-OAQYLSRUSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](CCO)CCN3CCOCC3)C2=O)cc1 ZINC000749026547 1072727039 /nfs/dbraw/zinc/72/70/39/1072727039.db2.gz PMUGNQWKPPDBAB-OAQYLSRUSA-N 1 2 449.508 -0.880 20 0 IBADLO NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000749326696 1072845187 /nfs/dbraw/zinc/84/51/87/1072845187.db2.gz OBZSKCUZKTVGKS-UHFFFAOYSA-N 1 2 441.535 -0.130 20 0 IBADLO NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000749327000 1072844672 /nfs/dbraw/zinc/84/46/72/1072844672.db2.gz ZRILMHPHNAAHCS-UHFFFAOYSA-N 1 2 441.535 -0.130 20 0 IBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000749534844 1072847764 /nfs/dbraw/zinc/84/77/64/1072847764.db2.gz FGFYEBVONOOVHA-DYESRHJHSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000749534847 1072847626 /nfs/dbraw/zinc/84/76/26/1072847626.db2.gz FGFYEBVONOOVHA-LAUBAEHRSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000749534849 1072847798 /nfs/dbraw/zinc/84/77/98/1072847798.db2.gz FGFYEBVONOOVHA-UTKZUKDTSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000749534850 1072847495 /nfs/dbraw/zinc/84/74/95/1072847495.db2.gz FGFYEBVONOOVHA-UWJYYQICSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000749535584 1072847528 /nfs/dbraw/zinc/84/75/28/1072847528.db2.gz RBZTVONKEUQLPJ-DYESRHJHSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000749535587 1072847732 /nfs/dbraw/zinc/84/77/32/1072847732.db2.gz RBZTVONKEUQLPJ-LAUBAEHRSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000749535589 1072847871 /nfs/dbraw/zinc/84/78/71/1072847871.db2.gz RBZTVONKEUQLPJ-UTKZUKDTSA-N 1 2 448.476 -0.261 20 0 IBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000749535591 1072847680 /nfs/dbraw/zinc/84/76/80/1072847680.db2.gz RBZTVONKEUQLPJ-UWJYYQICSA-N 1 2 448.476 -0.261 20 0 IBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000749642000 1072849177 /nfs/dbraw/zinc/84/91/77/1072849177.db2.gz CQDLVIRRVYUYJD-UHFFFAOYSA-N 1 2 449.537 -0.076 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000749669628 1072851824 /nfs/dbraw/zinc/85/18/24/1072851824.db2.gz KFWKTRWJMNQHNJ-UHFFFAOYSA-N 1 2 428.511 -0.012 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000749674787 1072852714 /nfs/dbraw/zinc/85/27/14/1072852714.db2.gz RCPQSVAIROHQJF-NRFANRHFSA-N 1 2 431.493 -0.305 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000749674789 1072852637 /nfs/dbraw/zinc/85/26/37/1072852637.db2.gz RCPQSVAIROHQJF-OAQYLSRUSA-N 1 2 431.493 -0.305 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C(=O)NCCO)CC3)C2=O)cc1 ZINC000749675596 1072852904 /nfs/dbraw/zinc/85/29/04/1072852904.db2.gz UWJSAKJTYYNIID-NRFANRHFSA-N 1 2 447.492 -0.686 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C(=O)NCCO)CC3)C2=O)cc1 ZINC000749675598 1072852863 /nfs/dbraw/zinc/85/28/63/1072852863.db2.gz UWJSAKJTYYNIID-OAQYLSRUSA-N 1 2 447.492 -0.686 20 0 IBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000749675667 1072853075 /nfs/dbraw/zinc/85/30/75/1072853075.db2.gz WGVJUXYVHVACMZ-UHFFFAOYSA-N 1 2 443.504 -0.819 20 0 IBADLO O=C(CCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCN(c2cccc[nH+]2)CC1 ZINC000749940408 1072857782 /nfs/dbraw/zinc/85/77/82/1072857782.db2.gz YHBZYJKJSGVQIB-IBGZPJMESA-N 1 2 444.517 -0.033 20 0 IBADLO O=C(CCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCN(c2cccc[nH+]2)CC1 ZINC000749940409 1072857534 /nfs/dbraw/zinc/85/75/34/1072857534.db2.gz YHBZYJKJSGVQIB-LJQANCHMSA-N 1 2 444.517 -0.033 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(N(C)C)[nH+]1 ZINC000750220118 1072861254 /nfs/dbraw/zinc/86/12/54/1072861254.db2.gz SSMHIKUYQWRZTC-UHFFFAOYSA-N 1 2 430.465 -0.786 20 0 IBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(N(C)C)[nH+]1 ZINC000750222032 1072861372 /nfs/dbraw/zinc/86/13/72/1072861372.db2.gz UKQSNJKZJBRHAF-UHFFFAOYSA-N 1 2 440.526 -0.884 20 0 IBADLO Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(N(C)C)[nH+]1 ZINC000750248664 1072861923 /nfs/dbraw/zinc/86/19/23/1072861923.db2.gz VSNOQVCJKWPHRQ-AWEZNQCLSA-N 1 2 427.527 -0.001 20 0 IBADLO Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(N(C)C)[nH+]1 ZINC000750248666 1072862005 /nfs/dbraw/zinc/86/20/05/1072862005.db2.gz VSNOQVCJKWPHRQ-CQSZACIVSA-N 1 2 427.527 -0.001 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cn1C ZINC000750260665 1072861963 /nfs/dbraw/zinc/86/19/63/1072861963.db2.gz GASJYRVECCPSJZ-UHFFFAOYSA-N 1 2 449.537 -0.030 20 0 IBADLO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750261913 1072861810 /nfs/dbraw/zinc/86/18/10/1072861810.db2.gz NUWKHXRSPBZAFR-UHFFFAOYSA-N 1 2 427.527 -0.095 20 0 IBADLO Cc1nnc2n1C[C@@H](C(=O)OCC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000750681603 1072869440 /nfs/dbraw/zinc/86/94/40/1072869440.db2.gz ZQWLSKQKVURIID-AWEZNQCLSA-N 1 2 439.480 -0.282 20 0 IBADLO Cc1nnc2n1C[C@H](C(=O)OCC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000750681607 1072869325 /nfs/dbraw/zinc/86/93/25/1072869325.db2.gz ZQWLSKQKVURIID-CQSZACIVSA-N 1 2 439.480 -0.282 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000751430265 1072874389 /nfs/dbraw/zinc/87/43/89/1072874389.db2.gz HRJKKOSRYVMZGD-LLVKDONJSA-N 1 2 443.302 -0.956 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000751430266 1072874748 /nfs/dbraw/zinc/87/47/48/1072874748.db2.gz HRJKKOSRYVMZGD-NSHDSACASA-N 1 2 443.302 -0.956 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000751430363 1072874463 /nfs/dbraw/zinc/87/44/63/1072874463.db2.gz KFLMIVWACVQVAP-AWPWWVNJSA-N 1 2 444.532 -0.059 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000751430364 1072874759 /nfs/dbraw/zinc/87/47/59/1072874759.db2.gz KFLMIVWACVQVAP-IECUYZFFSA-N 1 2 444.532 -0.059 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000751430365 1072874593 /nfs/dbraw/zinc/87/45/93/1072874593.db2.gz KFLMIVWACVQVAP-JRDMDSSDSA-N 1 2 444.532 -0.059 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000751430366 1072874733 /nfs/dbraw/zinc/87/47/33/1072874733.db2.gz KFLMIVWACVQVAP-XCBOUCJHSA-N 1 2 444.532 -0.059 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000751430930 1072874776 /nfs/dbraw/zinc/87/47/76/1072874776.db2.gz MNQHNHUPFVPRQW-SECBINFHSA-N 1 2 442.357 -0.077 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000751430931 1072874658 /nfs/dbraw/zinc/87/46/58/1072874658.db2.gz MNQHNHUPFVPRQW-VIFPVBQESA-N 1 2 442.357 -0.077 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000751431383 1072874986 /nfs/dbraw/zinc/87/49/86/1072874986.db2.gz OHSHLHPGRGFKAG-HNNXBMFYSA-N 1 2 441.506 -0.757 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000751431391 1072875223 /nfs/dbraw/zinc/87/52/23/1072875223.db2.gz OHSHLHPGRGFKAG-OAHLLOKOSA-N 1 2 441.506 -0.757 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000751431601 1072874713 /nfs/dbraw/zinc/87/47/13/1072874713.db2.gz JHKQKBKVQOVGIB-LLVKDONJSA-N 1 2 436.328 -0.138 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000751431602 1072875313 /nfs/dbraw/zinc/87/53/13/1072875313.db2.gz JHKQKBKVQOVGIB-NSHDSACASA-N 1 2 436.328 -0.138 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000751432416 1072875115 /nfs/dbraw/zinc/87/51/15/1072875115.db2.gz XFAVXKBMLFKRGA-INIZCTEOSA-N 1 2 438.550 -0.001 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000751432417 1072875042 /nfs/dbraw/zinc/87/50/42/1072875042.db2.gz XFAVXKBMLFKRGA-MRXNPFEDSA-N 1 2 438.550 -0.001 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000751433115 1072875068 /nfs/dbraw/zinc/87/50/68/1072875068.db2.gz SHNRMBHSWWWKNV-HRAATJIYSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000751433116 1072875011 /nfs/dbraw/zinc/87/50/11/1072875011.db2.gz SHNRMBHSWWWKNV-IERDGZPVSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000751433117 1072875092 /nfs/dbraw/zinc/87/50/92/1072875092.db2.gz SHNRMBHSWWWKNV-IIBYNOLFSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000751433118 1072875292 /nfs/dbraw/zinc/87/52/92/1072875292.db2.gz SHNRMBHSWWWKNV-KKSFZXQISA-N 1 2 434.493 -0.386 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000751433292 1072875177 /nfs/dbraw/zinc/87/51/77/1072875177.db2.gz VHQCCWZMCUGDEO-HNNXBMFYSA-N 1 2 445.513 -0.388 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000751433293 1072875145 /nfs/dbraw/zinc/87/51/45/1072875145.db2.gz VHQCCWZMCUGDEO-OAHLLOKOSA-N 1 2 445.513 -0.388 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1OC ZINC000751575100 1072877364 /nfs/dbraw/zinc/87/73/64/1072877364.db2.gz CCBGKLIWIHWHDS-HNNXBMFYSA-N 1 2 448.476 -0.202 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751786593 1072879102 /nfs/dbraw/zinc/87/91/02/1072879102.db2.gz JLMOTMWTASBNOG-INIZCTEOSA-N 1 2 443.545 -0.600 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751786625 1072879380 /nfs/dbraw/zinc/87/93/80/1072879380.db2.gz JLMOTMWTASBNOG-MRXNPFEDSA-N 1 2 443.545 -0.600 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751789103 1072879882 /nfs/dbraw/zinc/87/98/82/1072879882.db2.gz DKFMNVHMIYKSGM-KRWDZBQOSA-N 1 2 429.562 -0.126 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751789111 1072879809 /nfs/dbraw/zinc/87/98/09/1072879809.db2.gz DKFMNVHMIYKSGM-QGZVFWFLSA-N 1 2 429.562 -0.126 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000751793074 1072879649 /nfs/dbraw/zinc/87/96/49/1072879649.db2.gz KGFFMSHXNGWBOO-AWEZNQCLSA-N 1 2 446.492 -0.118 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000751793079 1072879718 /nfs/dbraw/zinc/87/97/18/1072879718.db2.gz KGFFMSHXNGWBOO-CQSZACIVSA-N 1 2 446.492 -0.118 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000751793121 1072879969 /nfs/dbraw/zinc/87/99/69/1072879969.db2.gz KVFHYLCGBWJCOP-AWEZNQCLSA-N 1 2 428.502 -0.415 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000751793129 1072880009 /nfs/dbraw/zinc/88/00/09/1072880009.db2.gz KVFHYLCGBWJCOP-CQSZACIVSA-N 1 2 428.502 -0.415 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000752630545 1072886445 /nfs/dbraw/zinc/88/64/45/1072886445.db2.gz SLZXVXMRRPVFJD-AWEZNQCLSA-N 1 2 428.486 -0.603 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000752630596 1072886738 /nfs/dbraw/zinc/88/67/38/1072886738.db2.gz SLZXVXMRRPVFJD-CQSZACIVSA-N 1 2 428.486 -0.603 20 0 IBADLO CCN(CCS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000753036456 1072888938 /nfs/dbraw/zinc/88/89/38/1072888938.db2.gz FMSJCWDDMZRRTI-UHFFFAOYSA-N 1 2 447.583 -0.391 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000753485018 1072892212 /nfs/dbraw/zinc/89/22/12/1072892212.db2.gz XSMATTDEPGXCFJ-UHFFFAOYSA-N 1 2 437.460 -0.103 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000753788525 1072894548 /nfs/dbraw/zinc/89/45/48/1072894548.db2.gz FGXJOMJOQRKZMB-INIZCTEOSA-N 1 2 434.559 -0.341 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000753788525 1072894534 /nfs/dbraw/zinc/89/45/34/1072894534.db2.gz FGXJOMJOQRKZMB-INIZCTEOSA-N 1 2 434.559 -0.341 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000753788529 1072894799 /nfs/dbraw/zinc/89/47/99/1072894799.db2.gz FGXJOMJOQRKZMB-MRXNPFEDSA-N 1 2 434.559 -0.341 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000753788529 1072894794 /nfs/dbraw/zinc/89/47/94/1072894794.db2.gz FGXJOMJOQRKZMB-MRXNPFEDSA-N 1 2 434.559 -0.341 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000754510726 1072904302 /nfs/dbraw/zinc/90/43/02/1072904302.db2.gz RMUAGKDGMSOBBB-HKUYNNGSSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000754510732 1072904194 /nfs/dbraw/zinc/90/41/94/1072904194.db2.gz RMUAGKDGMSOBBB-IEBWSBKVSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000754510735 1072904276 /nfs/dbraw/zinc/90/42/76/1072904276.db2.gz RMUAGKDGMSOBBB-MJGOQNOKSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000754510737 1072904816 /nfs/dbraw/zinc/90/48/16/1072904816.db2.gz RMUAGKDGMSOBBB-PKOBYXMFSA-N 1 2 431.493 -0.245 20 0 IBADLO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000754518222 1072904840 /nfs/dbraw/zinc/90/48/40/1072904840.db2.gz NLJDMKNRRTUQJH-CRAIPNDOSA-N 1 2 434.566 -0.129 20 0 IBADLO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000754518223 1072904995 /nfs/dbraw/zinc/90/49/95/1072904995.db2.gz NLJDMKNRRTUQJH-MAUKXSAKSA-N 1 2 434.566 -0.129 20 0 IBADLO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000754518224 1072904877 /nfs/dbraw/zinc/90/48/77/1072904877.db2.gz NLJDMKNRRTUQJH-QAPCUYQASA-N 1 2 434.566 -0.129 20 0 IBADLO CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000754518225 1072904894 /nfs/dbraw/zinc/90/48/94/1072904894.db2.gz NLJDMKNRRTUQJH-YJBOKZPZSA-N 1 2 434.566 -0.129 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000754520823 1072904959 /nfs/dbraw/zinc/90/49/59/1072904959.db2.gz OSQDAEDJXCKSFC-MSOLQXFVSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000754520827 1072904921 /nfs/dbraw/zinc/90/49/21/1072904921.db2.gz OSQDAEDJXCKSFC-QZTJIDSGSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000754520831 1072904943 /nfs/dbraw/zinc/90/49/43/1072904943.db2.gz OSQDAEDJXCKSFC-ROUUACIJSA-N 1 2 431.493 -0.245 20 0 IBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000754520836 1072904720 /nfs/dbraw/zinc/90/47/20/1072904720.db2.gz OSQDAEDJXCKSFC-ZWKOTPCHSA-N 1 2 431.493 -0.245 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN3CCOCC3)C2=O)c1 ZINC000754872599 1072908792 /nfs/dbraw/zinc/90/87/92/1072908792.db2.gz FAEHLGIBLHLUKB-NRFANRHFSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CCO)CCN3CCOCC3)C2=O)c1 ZINC000754872599 1072908779 /nfs/dbraw/zinc/90/87/79/1072908779.db2.gz FAEHLGIBLHLUKB-NRFANRHFSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN3CCOCC3)C2=O)c1 ZINC000754872604 1072909118 /nfs/dbraw/zinc/90/91/18/1072909118.db2.gz FAEHLGIBLHLUKB-OAQYLSRUSA-N 1 2 449.508 -0.880 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](CCO)CCN3CCOCC3)C2=O)c1 ZINC000754872604 1072909114 /nfs/dbraw/zinc/90/91/14/1072909114.db2.gz FAEHLGIBLHLUKB-OAQYLSRUSA-N 1 2 449.508 -0.880 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)C1=O ZINC000754875491 1072909139 /nfs/dbraw/zinc/90/91/39/1072909139.db2.gz MZCDJNJPOISQNL-NRFANRHFSA-N 1 2 433.509 -0.499 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CCO)CCN2CCOCC2)C1=O ZINC000754875491 1072909135 /nfs/dbraw/zinc/90/91/35/1072909135.db2.gz MZCDJNJPOISQNL-NRFANRHFSA-N 1 2 433.509 -0.499 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)C1=O ZINC000754875492 1072909315 /nfs/dbraw/zinc/90/93/15/1072909315.db2.gz MZCDJNJPOISQNL-OAQYLSRUSA-N 1 2 433.509 -0.499 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CCO)CCN2CCOCC2)C1=O ZINC000754875492 1072909301 /nfs/dbraw/zinc/90/93/01/1072909301.db2.gz MZCDJNJPOISQNL-OAQYLSRUSA-N 1 2 433.509 -0.499 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000754885871 1072909181 /nfs/dbraw/zinc/90/91/81/1072909181.db2.gz HRZHFYMNWHVMCV-UHFFFAOYSA-N 1 2 436.436 -0.454 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000754924907 1072909757 /nfs/dbraw/zinc/90/97/57/1072909757.db2.gz ZTHHOYJBRNGFKJ-UHFFFAOYSA-N 1 2 448.549 -0.195 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000754933302 1072910600 /nfs/dbraw/zinc/91/06/00/1072910600.db2.gz RSSCEISTKLLZSG-KRWDZBQOSA-N 1 2 449.533 -0.117 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000754933302 1072910591 /nfs/dbraw/zinc/91/05/91/1072910591.db2.gz RSSCEISTKLLZSG-KRWDZBQOSA-N 1 2 449.533 -0.117 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000754933304 1072910502 /nfs/dbraw/zinc/91/05/02/1072910502.db2.gz RSSCEISTKLLZSG-QGZVFWFLSA-N 1 2 449.533 -0.117 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000754933304 1072910496 /nfs/dbraw/zinc/91/04/96/1072910496.db2.gz RSSCEISTKLLZSG-QGZVFWFLSA-N 1 2 449.533 -0.117 20 0 IBADLO COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000755116383 1074009025 /nfs/dbraw/zinc/00/90/25/1074009025.db2.gz LNSWKROWJPBLGH-HZPDHXFCSA-N 1 2 439.538 -0.016 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000755156653 1072912732 /nfs/dbraw/zinc/91/27/32/1072912732.db2.gz HZIDNYKANAZKFB-KRWDZBQOSA-N 1 2 443.614 -0.167 20 0 IBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000755156656 1072912669 /nfs/dbraw/zinc/91/26/69/1072912669.db2.gz HZIDNYKANAZKFB-QGZVFWFLSA-N 1 2 443.614 -0.167 20 0 IBADLO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000755289285 1072914222 /nfs/dbraw/zinc/91/42/22/1072914222.db2.gz GUWGWNDKMUXQGP-HNNXBMFYSA-N 1 2 448.590 -0.281 20 0 IBADLO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755309147 1072914727 /nfs/dbraw/zinc/91/47/27/1072914727.db2.gz HYKGJPACMQTQSY-UHFFFAOYSA-N 1 2 442.494 -0.966 20 0 IBADLO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755311168 1072914795 /nfs/dbraw/zinc/91/47/95/1072914795.db2.gz YOCIMWDEDDDMCN-UHFFFAOYSA-N 1 2 433.914 -0.162 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000755390792 1072916264 /nfs/dbraw/zinc/91/62/64/1072916264.db2.gz GCHXBCBXFCWLKJ-INIZCTEOSA-N 1 2 435.529 -0.062 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000755390795 1072916186 /nfs/dbraw/zinc/91/61/86/1072916186.db2.gz GCHXBCBXFCWLKJ-MRXNPFEDSA-N 1 2 435.529 -0.062 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000755474033 1072916578 /nfs/dbraw/zinc/91/65/78/1072916578.db2.gz WRTVODRAOGNPGJ-CVEARBPZSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000755474037 1072916592 /nfs/dbraw/zinc/91/65/92/1072916592.db2.gz WRTVODRAOGNPGJ-HOTGVXAUSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000755474039 1072916548 /nfs/dbraw/zinc/91/65/48/1072916548.db2.gz WRTVODRAOGNPGJ-HZPDHXFCSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000755474041 1072917103 /nfs/dbraw/zinc/91/71/03/1072917103.db2.gz WRTVODRAOGNPGJ-JKSUJKDBSA-N 1 2 428.530 -0.346 20 0 IBADLO CCOC(=O)CNC(=O)C1CC[NH+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)CC1 ZINC000755752845 1072919718 /nfs/dbraw/zinc/91/97/18/1072919718.db2.gz ISCJLLDBQPXYMW-FQEVSTJZSA-N 1 2 434.497 -0.074 20 0 IBADLO CCOC(=O)CNC(=O)C1CC[NH+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)CC1 ZINC000755752846 1072919480 /nfs/dbraw/zinc/91/94/80/1072919480.db2.gz ISCJLLDBQPXYMW-HXUWFJFHSA-N 1 2 434.497 -0.074 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)nc2n(C)c1=O ZINC000756026362 1072921132 /nfs/dbraw/zinc/92/11/32/1072921132.db2.gz AYMCFOZNBCSAIG-CYBMUJFWSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)nc2n(C)c1=O ZINC000756026362 1072921126 /nfs/dbraw/zinc/92/11/26/1072921126.db2.gz AYMCFOZNBCSAIG-CYBMUJFWSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)nc2n(C)c1=O ZINC000756026364 1072921191 /nfs/dbraw/zinc/92/11/91/1072921191.db2.gz AYMCFOZNBCSAIG-ZDUSSCGKSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)nc2n(C)c1=O ZINC000756026364 1072921183 /nfs/dbraw/zinc/92/11/83/1072921183.db2.gz AYMCFOZNBCSAIG-ZDUSSCGKSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c(=O)n2C ZINC000756027552 1072921320 /nfs/dbraw/zinc/92/13/20/1072921320.db2.gz IFJBHWQBLVWRMJ-CYBMUJFWSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c(=O)n2C ZINC000756027552 1072921318 /nfs/dbraw/zinc/92/13/18/1072921318.db2.gz IFJBHWQBLVWRMJ-CYBMUJFWSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c(=O)n2C ZINC000756027555 1072921304 /nfs/dbraw/zinc/92/13/04/1072921304.db2.gz IFJBHWQBLVWRMJ-ZDUSSCGKSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c(=O)n2C ZINC000756027555 1072921299 /nfs/dbraw/zinc/92/12/99/1072921299.db2.gz IFJBHWQBLVWRMJ-ZDUSSCGKSA-N 1 2 449.512 -0.899 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756150784 1072921640 /nfs/dbraw/zinc/92/16/40/1072921640.db2.gz OWPGGLPRFKLDCG-CYBMUJFWSA-N 1 2 432.465 -0.365 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756150790 1072921672 /nfs/dbraw/zinc/92/16/72/1072921672.db2.gz OWPGGLPRFKLDCG-ZDUSSCGKSA-N 1 2 432.465 -0.365 20 0 IBADLO CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000756231052 1072923211 /nfs/dbraw/zinc/92/32/11/1072923211.db2.gz YWAZURJFCVPEPZ-INIZCTEOSA-N 1 2 429.481 -0.044 20 0 IBADLO CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000756231054 1072923788 /nfs/dbraw/zinc/92/37/88/1072923788.db2.gz YWAZURJFCVPEPZ-MRXNPFEDSA-N 1 2 429.481 -0.044 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000756452798 1072925409 /nfs/dbraw/zinc/92/54/09/1072925409.db2.gz QGRJKZACAKGOQF-UHFFFAOYSA-N 1 2 441.535 -0.353 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000756456298 1072926401 /nfs/dbraw/zinc/92/64/01/1072926401.db2.gz BPUWILYVPPEWBO-UHFFFAOYSA-N 1 2 441.535 -0.353 20 0 IBADLO Cn1cc(C(N)=O)cc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000756676522 1072927881 /nfs/dbraw/zinc/92/78/81/1072927881.db2.gz KSRAKJBCCFPHRI-UHFFFAOYSA-N 1 2 426.437 -0.694 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000757444526 1072935782 /nfs/dbraw/zinc/93/57/82/1072935782.db2.gz CIVNRKHESIMMHD-KRWDZBQOSA-N 1 2 433.509 -0.173 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000757444526 1072935768 /nfs/dbraw/zinc/93/57/68/1072935768.db2.gz CIVNRKHESIMMHD-KRWDZBQOSA-N 1 2 433.509 -0.173 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)CC1 ZINC000757751304 1072937303 /nfs/dbraw/zinc/93/73/03/1072937303.db2.gz ZVRPTRUFXRLULI-NRFANRHFSA-N 1 2 449.475 -0.126 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccnc3)C2=O)CC1 ZINC000757751305 1072937413 /nfs/dbraw/zinc/93/74/13/1072937413.db2.gz ZVRPTRUFXRLULI-OAQYLSRUSA-N 1 2 449.475 -0.126 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000757761746 1072937239 /nfs/dbraw/zinc/93/72/39/1072937239.db2.gz LAZVLSWFZQXUFD-UHFFFAOYSA-N 1 2 449.449 -0.891 20 0 IBADLO CC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000758205452 1072943538 /nfs/dbraw/zinc/94/35/38/1072943538.db2.gz MGEJPAFNXDTWPX-GOSISDBHSA-N 1 2 428.559 -0.836 20 0 IBADLO CC[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000758205464 1072943549 /nfs/dbraw/zinc/94/35/49/1072943549.db2.gz MGEJPAFNXDTWPX-SFHVURJKSA-N 1 2 428.559 -0.836 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC[C@@H]1CCO ZINC000758353246 1072945481 /nfs/dbraw/zinc/94/54/81/1072945481.db2.gz ATJFMLQZXDBJBQ-INIZCTEOSA-N 1 2 427.527 -0.674 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC[C@H]1CCO ZINC000758353247 1072945678 /nfs/dbraw/zinc/94/56/78/1072945678.db2.gz ATJFMLQZXDBJBQ-MRXNPFEDSA-N 1 2 427.527 -0.674 20 0 IBADLO CC1(C)OCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000758353873 1072945701 /nfs/dbraw/zinc/94/57/01/1072945701.db2.gz KZQWTSGSAMVZQF-UHFFFAOYSA-N 1 2 427.527 -0.016 20 0 IBADLO CC(C)C[C@@H]1CCC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000758391901 1072945624 /nfs/dbraw/zinc/94/56/24/1072945624.db2.gz SQEMEUWDKLMBMB-KRWDZBQOSA-N 1 2 429.587 -0.135 20 0 IBADLO CC(C)C[C@H]1CCC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000758391903 1072945612 /nfs/dbraw/zinc/94/56/12/1072945612.db2.gz SQEMEUWDKLMBMB-QGZVFWFLSA-N 1 2 429.587 -0.135 20 0 IBADLO C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000758479506 1072947724 /nfs/dbraw/zinc/94/77/24/1072947724.db2.gz VGAFSIYAFIAGPY-AWEZNQCLSA-N 1 2 425.507 -0.253 20 0 IBADLO C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000758479595 1072947769 /nfs/dbraw/zinc/94/77/69/1072947769.db2.gz VGAFSIYAFIAGPY-CQSZACIVSA-N 1 2 425.507 -0.253 20 0 IBADLO CCS(=O)(=O)CCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000758709998 1072950452 /nfs/dbraw/zinc/95/04/52/1072950452.db2.gz SLBCDSLIGSXJID-UHFFFAOYSA-N 1 2 447.583 -0.391 20 0 IBADLO CCn1cc(C(=O)C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000758860025 1072952173 /nfs/dbraw/zinc/95/21/73/1072952173.db2.gz RTASIAJWRCNOFC-UHFFFAOYSA-N 1 2 426.437 -0.346 20 0 IBADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)CC1(C)OCCO1 ZINC000758865228 1072951949 /nfs/dbraw/zinc/95/19/49/1072951949.db2.gz WEMBETOAPCYORA-INIZCTEOSA-N 1 2 433.575 -0.405 20 0 IBADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)CC1(C)OCCO1 ZINC000758865249 1072952247 /nfs/dbraw/zinc/95/22/47/1072952247.db2.gz WEMBETOAPCYORA-MRXNPFEDSA-N 1 2 433.575 -0.405 20 0 IBADLO Cc1nn(C)c(C)c1OCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000758992253 1072952584 /nfs/dbraw/zinc/95/25/84/1072952584.db2.gz YQSZBRNGINLODU-UHFFFAOYSA-N 1 2 442.480 -0.016 20 0 IBADLO CC1(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)OCCO1 ZINC000759222340 1072954581 /nfs/dbraw/zinc/95/45/81/1072954581.db2.gz KOPDZMCQHJTDDO-UHFFFAOYSA-N 1 2 427.527 -0.014 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000759548662 1072957350 /nfs/dbraw/zinc/95/73/50/1072957350.db2.gz GSLYJNXZCINRPT-AWEZNQCLSA-N 1 2 436.579 -0.331 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000759548662 1072957342 /nfs/dbraw/zinc/95/73/42/1072957342.db2.gz GSLYJNXZCINRPT-AWEZNQCLSA-N 1 2 436.579 -0.331 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000759548668 1072957495 /nfs/dbraw/zinc/95/74/95/1072957495.db2.gz GSLYJNXZCINRPT-CQSZACIVSA-N 1 2 436.579 -0.331 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000759548668 1072957490 /nfs/dbraw/zinc/95/74/90/1072957490.db2.gz GSLYJNXZCINRPT-CQSZACIVSA-N 1 2 436.579 -0.331 20 0 IBADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC2(CC1)OCCO2 ZINC000759771936 1072959010 /nfs/dbraw/zinc/95/90/10/1072959010.db2.gz JUFFUDVHWHYNSK-UHFFFAOYSA-N 1 2 426.543 -0.338 20 0 IBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)OC ZINC000759868501 1071393077 /nfs/dbraw/zinc/39/30/77/1071393077.db2.gz DGNVQGFCNRLFCS-UHFFFAOYSA-N 1 2 429.539 -0.177 20 0 IBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)OC ZINC000759868501 1071393066 /nfs/dbraw/zinc/39/30/66/1071393066.db2.gz DGNVQGFCNRLFCS-UHFFFAOYSA-N 1 2 429.539 -0.177 20 0 IBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)OC ZINC000759869738 1071393605 /nfs/dbraw/zinc/39/36/05/1071393605.db2.gz OADAROPEGQYVLM-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)OC ZINC000759869738 1071393593 /nfs/dbraw/zinc/39/35/93/1071393593.db2.gz OADAROPEGQYVLM-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)OC ZINC000759869866 1071393645 /nfs/dbraw/zinc/39/36/45/1071393645.db2.gz SQTKHTNQDOOKAC-UHFFFAOYSA-N 1 2 448.542 -0.572 20 0 IBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)OC ZINC000759869866 1071393634 /nfs/dbraw/zinc/39/36/34/1071393634.db2.gz SQTKHTNQDOOKAC-UHFFFAOYSA-N 1 2 448.542 -0.572 20 0 IBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)OC ZINC000759871299 1071393405 /nfs/dbraw/zinc/39/34/05/1071393405.db2.gz YVOGWSVXMRCLGC-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)OC ZINC000759871299 1071393387 /nfs/dbraw/zinc/39/33/87/1071393387.db2.gz YVOGWSVXMRCLGC-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(=O)[nH]c1=O ZINC000759892045 1071396241 /nfs/dbraw/zinc/39/62/41/1071396241.db2.gz FIDWJDGDUAYCEL-CYBMUJFWSA-N 1 2 442.476 -0.107 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(=O)[nH]c1=O ZINC000759892045 1071396222 /nfs/dbraw/zinc/39/62/22/1071396222.db2.gz FIDWJDGDUAYCEL-CYBMUJFWSA-N 1 2 442.476 -0.107 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(=O)[nH]c1=O ZINC000759892046 1071396301 /nfs/dbraw/zinc/39/63/01/1071396301.db2.gz FIDWJDGDUAYCEL-ZDUSSCGKSA-N 1 2 442.476 -0.107 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(=O)[nH]c1=O ZINC000759892046 1071396291 /nfs/dbraw/zinc/39/62/91/1071396291.db2.gz FIDWJDGDUAYCEL-ZDUSSCGKSA-N 1 2 442.476 -0.107 20 0 IBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899545 1071396022 /nfs/dbraw/zinc/39/60/22/1071396022.db2.gz LDOWGNICEZRFHI-CHWSQXEVSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899545 1071396008 /nfs/dbraw/zinc/39/60/08/1071396008.db2.gz LDOWGNICEZRFHI-CHWSQXEVSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899547 1071396148 /nfs/dbraw/zinc/39/61/48/1071396148.db2.gz LDOWGNICEZRFHI-OLZOCXBDSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899547 1071396134 /nfs/dbraw/zinc/39/61/34/1071396134.db2.gz LDOWGNICEZRFHI-OLZOCXBDSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899550 1071396385 /nfs/dbraw/zinc/39/63/85/1071396385.db2.gz LDOWGNICEZRFHI-QWHCGFSZSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899550 1071396376 /nfs/dbraw/zinc/39/63/76/1071396376.db2.gz LDOWGNICEZRFHI-QWHCGFSZSA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899553 1071395957 /nfs/dbraw/zinc/39/59/57/1071395957.db2.gz LDOWGNICEZRFHI-STQMWFEESA-N 1 2 426.477 -0.230 20 0 IBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759899553 1071395952 /nfs/dbraw/zinc/39/59/52/1071395952.db2.gz LDOWGNICEZRFHI-STQMWFEESA-N 1 2 426.477 -0.230 20 0 IBADLO Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000759905633 1071397155 /nfs/dbraw/zinc/39/71/55/1071397155.db2.gz UHOLBPPXHRDFNA-UHFFFAOYSA-N 1 2 441.448 -0.569 20 0 IBADLO Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000760092903 1072561743 /nfs/dbraw/zinc/56/17/43/1072561743.db2.gz ZYPYEZQEYHZHIX-UHFFFAOYSA-N 1 2 444.945 -0.382 20 0 IBADLO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000760716338 1072188726 /nfs/dbraw/zinc/18/87/26/1072188726.db2.gz JMPQSBFISXHCFL-KBPBESRZSA-N 1 2 434.946 -0.057 20 0 IBADLO C[C@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000760716352 1072188153 /nfs/dbraw/zinc/18/81/53/1072188153.db2.gz JMPQSBFISXHCFL-KGLIPLIRSA-N 1 2 434.946 -0.057 20 0 IBADLO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000760716355 1072188739 /nfs/dbraw/zinc/18/87/39/1072188739.db2.gz JMPQSBFISXHCFL-UONOGXRCSA-N 1 2 434.946 -0.057 20 0 IBADLO C[C@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000760716356 1072188766 /nfs/dbraw/zinc/18/87/66/1072188766.db2.gz JMPQSBFISXHCFL-ZIAGYGMSSA-N 1 2 434.946 -0.057 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000760864737 1072234796 /nfs/dbraw/zinc/23/47/96/1072234796.db2.gz YXVCKLNDYOALLJ-HNNXBMFYSA-N 1 2 425.530 -0.088 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000760864737 1072234787 /nfs/dbraw/zinc/23/47/87/1072234787.db2.gz YXVCKLNDYOALLJ-HNNXBMFYSA-N 1 2 425.530 -0.088 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000760864738 1072234676 /nfs/dbraw/zinc/23/46/76/1072234676.db2.gz YXVCKLNDYOALLJ-OAHLLOKOSA-N 1 2 425.530 -0.088 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000760864738 1072234665 /nfs/dbraw/zinc/23/46/65/1072234665.db2.gz YXVCKLNDYOALLJ-OAHLLOKOSA-N 1 2 425.530 -0.088 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000760889271 1072237403 /nfs/dbraw/zinc/23/74/03/1072237403.db2.gz AWJCLBHPDMNPER-FQEVSTJZSA-N 1 2 428.449 -0.451 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)C1=O ZINC000760889274 1072237495 /nfs/dbraw/zinc/23/74/95/1072237495.db2.gz AWJCLBHPDMNPER-HXUWFJFHSA-N 1 2 428.449 -0.451 20 0 IBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760920018 1072242370 /nfs/dbraw/zinc/24/23/70/1072242370.db2.gz HOKGBSGLJSKUBT-UHFFFAOYSA-N 1 2 442.538 -0.599 20 0 IBADLO O=C1N[C@]2(CCSC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000761063513 1072263551 /nfs/dbraw/zinc/26/35/51/1072263551.db2.gz VUOPDMSRLDYAIK-KRWDZBQOSA-N 1 2 425.536 -0.039 20 0 IBADLO O=C1N[C@@]2(CCSC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000761063515 1072263525 /nfs/dbraw/zinc/26/35/25/1072263525.db2.gz VUOPDMSRLDYAIK-QGZVFWFLSA-N 1 2 425.536 -0.039 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)C1=O ZINC000761105468 1072267875 /nfs/dbraw/zinc/26/78/75/1072267875.db2.gz NIFGEHLXGMGJDN-NRFANRHFSA-N 1 2 442.476 -0.109 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)C1=O ZINC000761105471 1072268067 /nfs/dbraw/zinc/26/80/67/1072268067.db2.gz NIFGEHLXGMGJDN-OAQYLSRUSA-N 1 2 442.476 -0.109 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC3(C2)OCCO3)CC1 ZINC000761686621 1072644191 /nfs/dbraw/zinc/64/41/91/1072644191.db2.gz ZZIAVDVDQHKFQF-UHFFFAOYSA-N 1 2 428.511 -0.037 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC3(C2)OCCO3)CC1 ZINC000761686621 1072644183 /nfs/dbraw/zinc/64/41/83/1072644183.db2.gz ZZIAVDVDQHKFQF-UHFFFAOYSA-N 1 2 428.511 -0.037 20 0 IBADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761705716 1072646195 /nfs/dbraw/zinc/64/61/95/1072646195.db2.gz IPEVWHTYFMFXOZ-CVEARBPZSA-N 1 2 442.538 -0.898 20 0 IBADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761705721 1072646101 /nfs/dbraw/zinc/64/61/01/1072646101.db2.gz IPEVWHTYFMFXOZ-HOTGVXAUSA-N 1 2 442.538 -0.898 20 0 IBADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761705724 1072646115 /nfs/dbraw/zinc/64/61/15/1072646115.db2.gz IPEVWHTYFMFXOZ-HZPDHXFCSA-N 1 2 442.538 -0.898 20 0 IBADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761705726 1072645937 /nfs/dbraw/zinc/64/59/37/1072645937.db2.gz IPEVWHTYFMFXOZ-JKSUJKDBSA-N 1 2 442.538 -0.898 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000761964241 1072670133 /nfs/dbraw/zinc/67/01/33/1072670133.db2.gz FAZFWSSVDUIXIB-UHFFFAOYSA-N 1 2 433.538 -0.135 20 0 IBADLO CN(C)C(=O)N1CCN(c2nc(NC3CC3)nc(N3CCN(C(=O)N(C)C)CC3)[nH+]2)CC1 ZINC000762194815 1072680851 /nfs/dbraw/zinc/68/08/51/1072680851.db2.gz DWFOJRBAQWSFIS-UHFFFAOYSA-N 1 2 446.560 -0.525 20 0 IBADLO O=C(C1CC1)N1CCN(c2nc(NC3CC3)nc(N3CCN(C(=O)C4CC4)CC3)[nH+]2)CC1 ZINC000762197405 1072680888 /nfs/dbraw/zinc/68/08/88/1072680888.db2.gz ZRMASMPSCQVUQI-UHFFFAOYSA-N 1 2 440.552 -0.015 20 0 IBADLO CCCn1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000762411617 1072689826 /nfs/dbraw/zinc/68/98/26/1072689826.db2.gz BYUQETOUOZLNHJ-UHFFFAOYSA-N 1 2 449.537 -0.105 20 0 IBADLO CN(CCCNC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000762718858 1072704382 /nfs/dbraw/zinc/70/43/82/1072704382.db2.gz QTFJBTBODFGCGK-UHFFFAOYSA-N 1 2 441.554 -0.237 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000763263070 1072722855 /nfs/dbraw/zinc/72/28/55/1072722855.db2.gz QDALEAPYLYMOAG-UHFFFAOYSA-N 1 2 428.467 -0.457 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cc3n(n2)CCCO3)CC1 ZINC000763368799 1072733185 /nfs/dbraw/zinc/73/31/85/1072733185.db2.gz FWVHITIJEFLXRF-UHFFFAOYSA-N 1 2 426.437 -0.152 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000763470120 1072992849 /nfs/dbraw/zinc/99/28/49/1072992849.db2.gz UHSOGUNZVGOHQF-AWEZNQCLSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000763470120 1072992843 /nfs/dbraw/zinc/99/28/43/1072992843.db2.gz UHSOGUNZVGOHQF-AWEZNQCLSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000763470122 1072992969 /nfs/dbraw/zinc/99/29/69/1072992969.db2.gz UHSOGUNZVGOHQF-CQSZACIVSA-N 1 2 446.508 -0.087 20 0 IBADLO Cn1c(=O)c2cc(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000763470122 1072992959 /nfs/dbraw/zinc/99/29/59/1072992959.db2.gz UHSOGUNZVGOHQF-CQSZACIVSA-N 1 2 446.508 -0.087 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763472333 1072995723 /nfs/dbraw/zinc/99/57/23/1072995723.db2.gz IRYQTPLTUCNIMA-KBPBESRZSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763472333 1072995722 /nfs/dbraw/zinc/99/57/22/1072995722.db2.gz IRYQTPLTUCNIMA-KBPBESRZSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763472337 1072995848 /nfs/dbraw/zinc/99/58/48/1072995848.db2.gz IRYQTPLTUCNIMA-KGLIPLIRSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763472337 1072995840 /nfs/dbraw/zinc/99/58/40/1072995840.db2.gz IRYQTPLTUCNIMA-KGLIPLIRSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763472340 1072995827 /nfs/dbraw/zinc/99/58/27/1072995827.db2.gz IRYQTPLTUCNIMA-UONOGXRCSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763472340 1072995819 /nfs/dbraw/zinc/99/58/19/1072995819.db2.gz IRYQTPLTUCNIMA-UONOGXRCSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763472344 1072995939 /nfs/dbraw/zinc/99/59/39/1072995939.db2.gz IRYQTPLTUCNIMA-ZIAGYGMSSA-N 1 2 444.558 -0.246 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763472344 1072995931 /nfs/dbraw/zinc/99/59/31/1072995931.db2.gz IRYQTPLTUCNIMA-ZIAGYGMSSA-N 1 2 444.558 -0.246 20 0 IBADLO C[N@H+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472347 1072995883 /nfs/dbraw/zinc/99/58/83/1072995883.db2.gz GQKANQNJEYTZKG-HNNXBMFYSA-N 1 2 433.575 -0.769 20 0 IBADLO C[N@@H+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472347 1072995880 /nfs/dbraw/zinc/99/58/80/1072995880.db2.gz GQKANQNJEYTZKG-HNNXBMFYSA-N 1 2 433.575 -0.769 20 0 IBADLO C[N@H+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472364 1072995867 /nfs/dbraw/zinc/99/58/67/1072995867.db2.gz GQKANQNJEYTZKG-OAHLLOKOSA-N 1 2 433.575 -0.769 20 0 IBADLO C[N@@H+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472364 1072995861 /nfs/dbraw/zinc/99/58/61/1072995861.db2.gz GQKANQNJEYTZKG-OAHLLOKOSA-N 1 2 433.575 -0.769 20 0 IBADLO Cn1c2[nH]c(CCC(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000763473285 1072995318 /nfs/dbraw/zinc/99/53/18/1072995318.db2.gz OOHFZXOKTCFTBC-GFCCVEGCSA-N 1 2 449.512 -0.038 20 0 IBADLO Cn1c2[nH]c(CCC(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000763473285 1072995310 /nfs/dbraw/zinc/99/53/10/1072995310.db2.gz OOHFZXOKTCFTBC-GFCCVEGCSA-N 1 2 449.512 -0.038 20 0 IBADLO Cn1c2[nH]c(CCC(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000763473289 1072995166 /nfs/dbraw/zinc/99/51/66/1072995166.db2.gz OOHFZXOKTCFTBC-LBPRGKRZSA-N 1 2 449.512 -0.038 20 0 IBADLO Cn1c2[nH]c(CCC(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000763473289 1072995159 /nfs/dbraw/zinc/99/51/59/1072995159.db2.gz OOHFZXOKTCFTBC-LBPRGKRZSA-N 1 2 449.512 -0.038 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000763473663 1072996520 /nfs/dbraw/zinc/99/65/20/1072996520.db2.gz OIVJTDKPOASMHK-CYBMUJFWSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000763473663 1072996512 /nfs/dbraw/zinc/99/65/12/1072996512.db2.gz OIVJTDKPOASMHK-CYBMUJFWSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000763473664 1072996287 /nfs/dbraw/zinc/99/62/87/1072996287.db2.gz OIVJTDKPOASMHK-ZDUSSCGKSA-N 1 2 449.512 -0.899 20 0 IBADLO Cn1c2ncn(CC(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000763473664 1072996284 /nfs/dbraw/zinc/99/62/84/1072996284.db2.gz OIVJTDKPOASMHK-ZDUSSCGKSA-N 1 2 449.512 -0.899 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1C ZINC000763474086 1072995960 /nfs/dbraw/zinc/99/59/60/1072995960.db2.gz VMFLDFZKCWPJEF-AWEZNQCLSA-N 1 2 444.558 -0.326 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1C ZINC000763474086 1072995958 /nfs/dbraw/zinc/99/59/58/1072995958.db2.gz VMFLDFZKCWPJEF-AWEZNQCLSA-N 1 2 444.558 -0.326 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1C ZINC000763474090 1072995791 /nfs/dbraw/zinc/99/57/91/1072995791.db2.gz VMFLDFZKCWPJEF-CQSZACIVSA-N 1 2 444.558 -0.326 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1C ZINC000763474090 1072995785 /nfs/dbraw/zinc/99/57/85/1072995785.db2.gz VMFLDFZKCWPJEF-CQSZACIVSA-N 1 2 444.558 -0.326 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763475232 1072996306 /nfs/dbraw/zinc/99/63/06/1072996306.db2.gz GDWNGOFUVJQYOI-HNNXBMFYSA-N 1 2 436.575 -0.002 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763475232 1072996302 /nfs/dbraw/zinc/99/63/02/1072996302.db2.gz GDWNGOFUVJQYOI-HNNXBMFYSA-N 1 2 436.575 -0.002 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763475236 1072996480 /nfs/dbraw/zinc/99/64/80/1072996480.db2.gz GDWNGOFUVJQYOI-OAHLLOKOSA-N 1 2 436.575 -0.002 20 0 IBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763475236 1072996471 /nfs/dbraw/zinc/99/64/71/1072996471.db2.gz GDWNGOFUVJQYOI-OAHLLOKOSA-N 1 2 436.575 -0.002 20 0 IBADLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000763476193 1072997535 /nfs/dbraw/zinc/99/75/35/1072997535.db2.gz MFGSXPUTPLJOPM-CYBMUJFWSA-N 1 2 448.524 -0.143 20 0 IBADLO Cn1c(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000763476193 1072997524 /nfs/dbraw/zinc/99/75/24/1072997524.db2.gz MFGSXPUTPLJOPM-CYBMUJFWSA-N 1 2 448.524 -0.143 20 0 IBADLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000763476196 1072997413 /nfs/dbraw/zinc/99/74/13/1072997413.db2.gz MFGSXPUTPLJOPM-ZDUSSCGKSA-N 1 2 448.524 -0.143 20 0 IBADLO Cn1c(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000763476196 1072997401 /nfs/dbraw/zinc/99/74/01/1072997401.db2.gz MFGSXPUTPLJOPM-ZDUSSCGKSA-N 1 2 448.524 -0.143 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000763478892 1073003137 /nfs/dbraw/zinc/00/31/37/1073003137.db2.gz QPCUKPPUSQALFY-CYBMUJFWSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000763478892 1073003129 /nfs/dbraw/zinc/00/31/29/1073003129.db2.gz QPCUKPPUSQALFY-CYBMUJFWSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000763478920 1073002825 /nfs/dbraw/zinc/00/28/25/1073002825.db2.gz QPCUKPPUSQALFY-ZDUSSCGKSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000763478920 1073002821 /nfs/dbraw/zinc/00/28/21/1073002821.db2.gz QPCUKPPUSQALFY-ZDUSSCGKSA-N 1 2 430.531 -0.634 20 0 IBADLO C[N@H+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478952 1073003264 /nfs/dbraw/zinc/00/32/64/1073003264.db2.gz RSWNQGYHODVGFL-CYBMUJFWSA-N 1 2 430.531 -0.412 20 0 IBADLO C[N@@H+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478952 1073003256 /nfs/dbraw/zinc/00/32/56/1073003256.db2.gz RSWNQGYHODVGFL-CYBMUJFWSA-N 1 2 430.531 -0.412 20 0 IBADLO C[N@H+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478955 1073003336 /nfs/dbraw/zinc/00/33/36/1073003336.db2.gz RSWNQGYHODVGFL-ZDUSSCGKSA-N 1 2 430.531 -0.412 20 0 IBADLO C[N@@H+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478955 1073003322 /nfs/dbraw/zinc/00/33/22/1073003322.db2.gz RSWNQGYHODVGFL-ZDUSSCGKSA-N 1 2 430.531 -0.412 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000763479554 1073004182 /nfs/dbraw/zinc/00/41/82/1073004182.db2.gz WCBXXAYUZRHKLH-CYBMUJFWSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000763479554 1073004175 /nfs/dbraw/zinc/00/41/75/1073004175.db2.gz WCBXXAYUZRHKLH-CYBMUJFWSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000763479558 1073004115 /nfs/dbraw/zinc/00/41/15/1073004115.db2.gz WCBXXAYUZRHKLH-ZDUSSCGKSA-N 1 2 430.531 -0.634 20 0 IBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000763479558 1073004108 /nfs/dbraw/zinc/00/41/08/1073004108.db2.gz WCBXXAYUZRHKLH-ZDUSSCGKSA-N 1 2 430.531 -0.634 20 0 IBADLO COc1cc(N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)ncn1 ZINC000763660961 1073040849 /nfs/dbraw/zinc/04/08/49/1073040849.db2.gz JKSKRRWCOUKGNO-UHFFFAOYSA-N 1 2 426.543 -0.174 20 0 IBADLO CC1=C(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](C)n2ncnc2N1C ZINC000764222996 1073069416 /nfs/dbraw/zinc/06/94/16/1073069416.db2.gz KSARTWATSMTQGC-HNNXBMFYSA-N 1 2 438.558 -0.801 20 0 IBADLO CC1=C(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](C)n2ncnc2N1C ZINC000764222997 1073069158 /nfs/dbraw/zinc/06/91/58/1073069158.db2.gz KSARTWATSMTQGC-OAHLLOKOSA-N 1 2 438.558 -0.801 20 0 IBADLO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000764282065 1073069848 /nfs/dbraw/zinc/06/98/48/1073069848.db2.gz DBWIWJOXXPPIEG-LLVKDONJSA-N 1 2 448.904 -0.211 20 0 IBADLO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000764282066 1073069713 /nfs/dbraw/zinc/06/97/13/1073069713.db2.gz DBWIWJOXXPPIEG-NSHDSACASA-N 1 2 448.904 -0.211 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CC(=O)NCC(F)(F)F)CC1 ZINC000764576970 1073072930 /nfs/dbraw/zinc/07/29/30/1073072930.db2.gz FQFCMBXBRJQLPK-UHFFFAOYSA-N 1 2 443.386 -0.376 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000765093888 1073075790 /nfs/dbraw/zinc/07/57/90/1073075790.db2.gz REXBTSPMHOKAOU-INIZCTEOSA-N 1 2 439.600 -0.099 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000765093890 1073075764 /nfs/dbraw/zinc/07/57/64/1073075764.db2.gz REXBTSPMHOKAOU-MRXNPFEDSA-N 1 2 439.600 -0.099 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)OC)cc2S1(=O)=O ZINC000765243182 1073076970 /nfs/dbraw/zinc/07/69/70/1073076970.db2.gz VEGVVBQFXZSAJC-AWEZNQCLSA-N 1 2 436.446 -0.285 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)OC)cc2S1(=O)=O ZINC000765243182 1073076964 /nfs/dbraw/zinc/07/69/64/1073076964.db2.gz VEGVVBQFXZSAJC-AWEZNQCLSA-N 1 2 436.446 -0.285 20 0 IBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000765349502 1073077489 /nfs/dbraw/zinc/07/74/89/1073077489.db2.gz NDLMDYCIZPLVKD-UHFFFAOYSA-N 1 2 439.538 -0.711 20 0 IBADLO CCOC(=O)C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000765569296 1073083576 /nfs/dbraw/zinc/08/35/76/1073083576.db2.gz YOKLQGMFZRMCHT-UHFFFAOYSA-N 1 2 431.493 -0.256 20 0 IBADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000765574651 1073084246 /nfs/dbraw/zinc/08/42/46/1073084246.db2.gz CCWAUBAOVLKCOV-CVEARBPZSA-N 1 2 426.514 -0.328 20 0 IBADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000765574654 1073084357 /nfs/dbraw/zinc/08/43/57/1073084357.db2.gz CCWAUBAOVLKCOV-HOTGVXAUSA-N 1 2 426.514 -0.328 20 0 IBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000765574655 1073084498 /nfs/dbraw/zinc/08/44/98/1073084498.db2.gz CCWAUBAOVLKCOV-HZPDHXFCSA-N 1 2 426.514 -0.328 20 0 IBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000765574656 1073084387 /nfs/dbraw/zinc/08/43/87/1073084387.db2.gz CCWAUBAOVLKCOV-JKSUJKDBSA-N 1 2 426.514 -0.328 20 0 IBADLO COC(=O)c1cc(C(=O)OC)n(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000765695460 1073090206 /nfs/dbraw/zinc/09/02/06/1073090206.db2.gz SJFMQFWVYKBWBQ-UHFFFAOYSA-N 1 2 445.480 -0.137 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C)c(=O)n2C ZINC000765959557 1073165165 /nfs/dbraw/zinc/16/51/65/1073165165.db2.gz GKSNCBOYGQVYKJ-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C)c(=O)n2C ZINC000765959557 1073165163 /nfs/dbraw/zinc/16/51/63/1073165163.db2.gz GKSNCBOYGQVYKJ-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C)c(=O)n2C ZINC000765959560 1073165156 /nfs/dbraw/zinc/16/51/56/1073165156.db2.gz GKSNCBOYGQVYKJ-ZDUSSCGKSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C)c(=O)n2C ZINC000765959560 1073165155 /nfs/dbraw/zinc/16/51/55/1073165155.db2.gz GKSNCBOYGQVYKJ-ZDUSSCGKSA-N 1 2 435.481 -0.217 20 0 IBADLO O=C(NCCS(=O)(=O)CC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000765968839 1073184778 /nfs/dbraw/zinc/18/47/78/1073184778.db2.gz JGJVNMOSPYEPOU-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO O=C(NCCS(=O)(=O)CC1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000765968839 1073184775 /nfs/dbraw/zinc/18/47/75/1073184775.db2.gz JGJVNMOSPYEPOU-UHFFFAOYSA-N 1 2 438.554 -0.030 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000766038088 1073247258 /nfs/dbraw/zinc/24/72/58/1073247258.db2.gz GKPKPUFSNJBGSS-UHFFFAOYSA-N 1 2 434.559 -0.293 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)nc1 ZINC000766321909 1073562707 /nfs/dbraw/zinc/56/27/07/1073562707.db2.gz PCCQUCRQSKCSSG-UHFFFAOYSA-N 1 2 436.469 -0.178 20 0 IBADLO CC(C)CN1N=C(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1=O ZINC000766352030 1073589642 /nfs/dbraw/zinc/58/96/42/1073589642.db2.gz RODZHUSBYCJAAW-UHFFFAOYSA-N 1 2 428.559 -0.743 20 0 IBADLO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000766361538 1073590087 /nfs/dbraw/zinc/59/00/87/1073590087.db2.gz ITTLKELXNMGXRO-UHFFFAOYSA-N 1 2 444.945 -0.382 20 0 IBADLO CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766412144 1073591783 /nfs/dbraw/zinc/59/17/83/1073591783.db2.gz SHCXNFMOGLIMGO-UHFFFAOYSA-N 1 2 448.524 -0.123 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000766625150 1073597498 /nfs/dbraw/zinc/59/74/98/1073597498.db2.gz BSEGJXUZKYCNHQ-UHFFFAOYSA-N 1 2 436.534 -0.046 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766773949 1073602925 /nfs/dbraw/zinc/60/29/25/1073602925.db2.gz ACTPYVIHPYJVHG-UHFFFAOYSA-N 1 2 432.485 -0.347 20 0 IBADLO O=C(CCNS(=O)(=O)N1CCC2(CC1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000766792870 1073604193 /nfs/dbraw/zinc/60/41/93/1073604193.db2.gz LKFIOXXCAFDIEG-UHFFFAOYSA-N 1 2 439.538 -0.206 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000766867305 1073606667 /nfs/dbraw/zinc/60/66/67/1073606667.db2.gz OGZOVCXLGWXXPP-INIZCTEOSA-N 1 2 430.571 -0.130 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000766867307 1073606734 /nfs/dbraw/zinc/60/67/34/1073606734.db2.gz OGZOVCXLGWXXPP-MRXNPFEDSA-N 1 2 430.571 -0.130 20 0 IBADLO CNS(=O)(=O)CCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000767105418 1073612979 /nfs/dbraw/zinc/61/29/79/1073612979.db2.gz ULQJOSZAXVXFGJ-UHFFFAOYSA-N 1 2 425.507 -0.252 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000767108288 1073613078 /nfs/dbraw/zinc/61/30/78/1073613078.db2.gz BKOHTPXRMLSIFG-AWEZNQCLSA-N 1 2 433.538 -0.008 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000767108288 1073613073 /nfs/dbraw/zinc/61/30/73/1073613073.db2.gz BKOHTPXRMLSIFG-AWEZNQCLSA-N 1 2 433.538 -0.008 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000767108292 1073612996 /nfs/dbraw/zinc/61/29/96/1073612996.db2.gz BKOHTPXRMLSIFG-CQSZACIVSA-N 1 2 433.538 -0.008 20 0 IBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000767108292 1073612991 /nfs/dbraw/zinc/61/29/91/1073612991.db2.gz BKOHTPXRMLSIFG-CQSZACIVSA-N 1 2 433.538 -0.008 20 0 IBADLO CCS(=O)(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000767385631 1073617634 /nfs/dbraw/zinc/61/76/34/1073617634.db2.gz FBYSEKNOYUSKQD-UHFFFAOYSA-N 1 2 425.507 -0.252 20 0 IBADLO O=C(COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(=O)N1CCCC1 ZINC000767535163 1073620495 /nfs/dbraw/zinc/62/04/95/1073620495.db2.gz CNCVCGQWCWGDSC-UHFFFAOYSA-N 1 2 431.493 -0.208 20 0 IBADLO COC[C@H](C)NC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767535641 1073620456 /nfs/dbraw/zinc/62/04/56/1073620456.db2.gz DFNAXNUOQMXDJE-HNNXBMFYSA-N 1 2 435.481 -0.086 20 0 IBADLO COC[C@@H](C)NC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767535642 1073620410 /nfs/dbraw/zinc/62/04/10/1073620410.db2.gz DFNAXNUOQMXDJE-OAHLLOKOSA-N 1 2 435.481 -0.086 20 0 IBADLO NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767536165 1073620388 /nfs/dbraw/zinc/62/03/88/1073620388.db2.gz DUVBWQXSOMMXNM-INIZCTEOSA-N 1 2 431.493 -0.080 20 0 IBADLO NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767536166 1073620504 /nfs/dbraw/zinc/62/05/04/1073620504.db2.gz DUVBWQXSOMMXNM-MRXNPFEDSA-N 1 2 431.493 -0.080 20 0 IBADLO CC(=O)N1CCN(C(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000767539218 1073621174 /nfs/dbraw/zinc/62/11/74/1073621174.db2.gz QFJXDXMHSCYKAQ-UHFFFAOYSA-N 1 2 431.493 -0.256 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)c2cccnc2)CC1 ZINC000767606934 1073622954 /nfs/dbraw/zinc/62/29/54/1073622954.db2.gz PYWZGZOSRIABSA-UHFFFAOYSA-N 1 2 438.448 -0.620 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC000767729350 1073627536 /nfs/dbraw/zinc/62/75/36/1073627536.db2.gz GKWUSODHCYLGHH-UHFFFAOYSA-N 1 2 437.420 -0.383 20 0 IBADLO CCOC1CC(CNC(=O)NCCS(=O)(=O)N2CCOCC2)([NH+]2CCOCC2)C1 ZINC000767782255 1073628671 /nfs/dbraw/zinc/62/86/71/1073628671.db2.gz ZEJNBOXAWLSJEL-UHFFFAOYSA-N 1 2 434.559 -0.783 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000767816420 1073629874 /nfs/dbraw/zinc/62/98/74/1073629874.db2.gz YPOGPNDJEIXDFY-UHFFFAOYSA-N 1 2 438.510 -0.232 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCO1 ZINC000768325588 1073637557 /nfs/dbraw/zinc/63/75/57/1073637557.db2.gz UJEZGZJIRWRREO-AWEZNQCLSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCO1 ZINC000768325588 1073637553 /nfs/dbraw/zinc/63/75/53/1073637553.db2.gz UJEZGZJIRWRREO-AWEZNQCLSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCO1 ZINC000768325590 1073637666 /nfs/dbraw/zinc/63/76/66/1073637666.db2.gz UJEZGZJIRWRREO-CQSZACIVSA-N 1 2 440.522 -0.149 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCO1 ZINC000768325590 1073637655 /nfs/dbraw/zinc/63/76/55/1073637655.db2.gz UJEZGZJIRWRREO-CQSZACIVSA-N 1 2 440.522 -0.149 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC000768501652 1073639666 /nfs/dbraw/zinc/63/96/66/1073639666.db2.gz OKGYBQOKZVSQBK-UHFFFAOYSA-N 1 2 437.975 -0.158 20 0 IBADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000768952275 1073644722 /nfs/dbraw/zinc/64/47/22/1073644722.db2.gz GUWGWNDKMUXQGP-OAHLLOKOSA-N 1 2 448.590 -0.281 20 0 IBADLO Cn1c(Cl)ncc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000769393766 1073648660 /nfs/dbraw/zinc/64/86/60/1073648660.db2.gz BZWWICXJTFIOID-UHFFFAOYSA-N 1 2 448.958 -0.101 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000769818959 1073653638 /nfs/dbraw/zinc/65/36/38/1073653638.db2.gz YREHIGCOSBXDFM-UHFFFAOYSA-N 1 2 443.508 -0.190 20 0 IBADLO CCCn1c(CO)nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=S ZINC000769834677 1073655402 /nfs/dbraw/zinc/65/54/02/1073655402.db2.gz MGRJSEBEXUHDAZ-UHFFFAOYSA-N 1 2 433.604 -0.616 20 0 IBADLO Cn1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1Cl ZINC000769893088 1073656059 /nfs/dbraw/zinc/65/60/59/1073656059.db2.gz MPZOQKKETDWLAK-UHFFFAOYSA-N 1 2 448.958 -0.101 20 0 IBADLO COC(=O)N1CC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000770342538 1073662021 /nfs/dbraw/zinc/66/20/21/1073662021.db2.gz SNXUPHMZZXTPNB-UHFFFAOYSA-N 1 2 426.499 -0.717 20 0 IBADLO CCOC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000770517191 1073664594 /nfs/dbraw/zinc/66/45/94/1073664594.db2.gz CDXGSRGNHLMUDU-HNNXBMFYSA-N 1 2 432.547 -0.963 20 0 IBADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000770517195 1073664738 /nfs/dbraw/zinc/66/47/38/1073664738.db2.gz CDXGSRGNHLMUDU-OAHLLOKOSA-N 1 2 432.547 -0.963 20 0 IBADLO COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000770724063 1073666853 /nfs/dbraw/zinc/66/68/53/1073666853.db2.gz KBQXBLAAXWRSNU-UHFFFAOYSA-N 1 2 443.501 -0.591 20 0 IBADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)c2=O ZINC000771035244 1073671256 /nfs/dbraw/zinc/67/12/56/1073671256.db2.gz SHSXDRIHXOQQPX-LLVKDONJSA-N 1 2 425.287 -0.174 20 0 IBADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)c2=O ZINC000771035245 1073671277 /nfs/dbraw/zinc/67/12/77/1073671277.db2.gz SHSXDRIHXOQQPX-NSHDSACASA-N 1 2 425.287 -0.174 20 0 IBADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000771102662 1073672005 /nfs/dbraw/zinc/67/20/05/1073672005.db2.gz FDZZEISNPWNPJM-OAHLLOKOSA-N 1 2 433.575 -0.074 20 0 IBADLO Cc1sc2nnn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c(=O)c2c1C ZINC000771164347 1073672567 /nfs/dbraw/zinc/67/25/67/1073672567.db2.gz REFYTDJDUPMKBT-UHFFFAOYSA-N 1 2 441.583 -0.463 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000771463981 1073679071 /nfs/dbraw/zinc/67/90/71/1073679071.db2.gz MQJQHKYATIKXFT-NRFANRHFSA-N 1 2 431.493 -0.210 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000771463981 1073679068 /nfs/dbraw/zinc/67/90/68/1073679068.db2.gz MQJQHKYATIKXFT-NRFANRHFSA-N 1 2 431.493 -0.210 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000771463986 1073678992 /nfs/dbraw/zinc/67/89/92/1073678992.db2.gz MQJQHKYATIKXFT-OAQYLSRUSA-N 1 2 431.493 -0.210 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000771463986 1073678985 /nfs/dbraw/zinc/67/89/85/1073678985.db2.gz MQJQHKYATIKXFT-OAQYLSRUSA-N 1 2 431.493 -0.210 20 0 IBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC000771516816 1073681624 /nfs/dbraw/zinc/68/16/24/1073681624.db2.gz SVDRIYICQJXFKA-NRFANRHFSA-N 1 2 441.492 -0.102 20 0 IBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC000771516837 1073681679 /nfs/dbraw/zinc/68/16/79/1073681679.db2.gz SVDRIYICQJXFKA-OAQYLSRUSA-N 1 2 441.492 -0.102 20 0 IBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000771546724 1073681661 /nfs/dbraw/zinc/68/16/61/1073681661.db2.gz PRHXSOGKVQVZSH-BTYIYWSLSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000771546725 1073681493 /nfs/dbraw/zinc/68/14/93/1073681493.db2.gz PRHXSOGKVQVZSH-QVKFZJNVSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000771546726 1073681505 /nfs/dbraw/zinc/68/15/05/1073681505.db2.gz PRHXSOGKVQVZSH-VFNWGFHPSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000771546727 1073681576 /nfs/dbraw/zinc/68/15/76/1073681576.db2.gz PRHXSOGKVQVZSH-YCRPNKLZSA-N 1 2 434.493 -0.386 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000771548412 1073682053 /nfs/dbraw/zinc/68/20/53/1073682053.db2.gz XYWRHBKTHAOCSU-AOMKIAJQSA-N 1 2 448.520 -0.078 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000771548413 1073682083 /nfs/dbraw/zinc/68/20/83/1073682083.db2.gz XYWRHBKTHAOCSU-KSFYIVLOSA-N 1 2 448.520 -0.078 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000771548414 1073682061 /nfs/dbraw/zinc/68/20/61/1073682061.db2.gz XYWRHBKTHAOCSU-OPAMFIHVSA-N 1 2 448.520 -0.078 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000771548415 1073682181 /nfs/dbraw/zinc/68/21/81/1073682181.db2.gz XYWRHBKTHAOCSU-ZHRRBRCNSA-N 1 2 448.520 -0.078 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000772223229 1073690375 /nfs/dbraw/zinc/69/03/75/1073690375.db2.gz NVZZOAAYQLGXNH-BNXPMYBGSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000772223229 1073690370 /nfs/dbraw/zinc/69/03/70/1073690370.db2.gz NVZZOAAYQLGXNH-BNXPMYBGSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000772223231 1073690241 /nfs/dbraw/zinc/69/02/41/1073690241.db2.gz NVZZOAAYQLGXNH-FUIJVIPGSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000772223231 1073690231 /nfs/dbraw/zinc/69/02/31/1073690231.db2.gz NVZZOAAYQLGXNH-FUIJVIPGSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000772223233 1073690310 /nfs/dbraw/zinc/69/03/10/1073690310.db2.gz NVZZOAAYQLGXNH-KYTCBBFDSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000772223233 1073690308 /nfs/dbraw/zinc/69/03/08/1073690308.db2.gz NVZZOAAYQLGXNH-KYTCBBFDSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000772223234 1073690350 /nfs/dbraw/zinc/69/03/50/1073690350.db2.gz NVZZOAAYQLGXNH-SDSFWRRZSA-N 1 2 442.563 -0.506 20 0 IBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000772223234 1073690345 /nfs/dbraw/zinc/69/03/45/1073690345.db2.gz NVZZOAAYQLGXNH-SDSFWRRZSA-N 1 2 442.563 -0.506 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000772274620 1073690826 /nfs/dbraw/zinc/69/08/26/1073690826.db2.gz IYOOQNFJKLQXIG-UHFFFAOYSA-N 1 2 427.523 -0.040 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000772403265 1073694283 /nfs/dbraw/zinc/69/42/83/1073694283.db2.gz MSZQLSLVOCZDGK-AWEZNQCLSA-N 1 2 436.494 -0.478 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000772403274 1073694840 /nfs/dbraw/zinc/69/48/40/1073694840.db2.gz MSZQLSLVOCZDGK-CQSZACIVSA-N 1 2 436.494 -0.478 20 0 IBADLO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000772746604 1073789837 /nfs/dbraw/zinc/78/98/37/1073789837.db2.gz AVUIJLSHUMVTAZ-WOJGMQOQSA-N 1 2 438.506 -0.741 20 0 IBADLO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000772746605 1073790020 /nfs/dbraw/zinc/79/00/20/1073790020.db2.gz AVUIJLSHUMVTAZ-WQRHYEAKSA-N 1 2 438.506 -0.741 20 0 IBADLO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000772829348 1073823689 /nfs/dbraw/zinc/82/36/89/1073823689.db2.gz CYOFCXHXTHWSIW-INIZCTEOSA-N 1 2 445.520 -0.259 20 0 IBADLO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000772829349 1073823883 /nfs/dbraw/zinc/82/38/83/1073823883.db2.gz CYOFCXHXTHWSIW-MRXNPFEDSA-N 1 2 445.520 -0.259 20 0 IBADLO NC(=O)c1cc(OC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)ccn1 ZINC000772858652 1074056285 /nfs/dbraw/zinc/05/62/85/1074056285.db2.gz HUYBKOAPTKGLIF-INIZCTEOSA-N 1 2 445.520 -0.269 20 0 IBADLO NC(=O)c1cc(OC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)ccn1 ZINC000772858653 1074056347 /nfs/dbraw/zinc/05/63/47/1074056347.db2.gz HUYBKOAPTKGLIF-MRXNPFEDSA-N 1 2 445.520 -0.269 20 0 IBADLO COCCNc1nc(N2CCN(C(=O)OC)CC2)[nH+]c(N2CCN(C(=O)OC)CC2)n1 ZINC000772879607 1074062685 /nfs/dbraw/zinc/06/26/85/1074062685.db2.gz KAPGRIRPWVTIBU-UHFFFAOYSA-N 1 2 438.489 -0.871 20 0 IBADLO COCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000772955792 1074083720 /nfs/dbraw/zinc/08/37/20/1074083720.db2.gz XOBURLTVBBBSNW-UHFFFAOYSA-N 1 2 439.538 -0.592 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000773013594 1074116220 /nfs/dbraw/zinc/11/62/20/1074116220.db2.gz POUQBLYJYWGCQA-UHFFFAOYSA-N 1 2 433.556 -0.832 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000773042692 1074116737 /nfs/dbraw/zinc/11/67/37/1074116737.db2.gz RLYAMOCQJPLAEJ-DLBZAZTESA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000773042693 1074116617 /nfs/dbraw/zinc/11/66/17/1074116617.db2.gz RLYAMOCQJPLAEJ-IAGOWNOFSA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000773042694 1074116602 /nfs/dbraw/zinc/11/66/02/1074116602.db2.gz RLYAMOCQJPLAEJ-IRXDYDNUSA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000773042695 1074116634 /nfs/dbraw/zinc/11/66/34/1074116634.db2.gz RLYAMOCQJPLAEJ-SJORKVTESA-N 1 2 440.541 -0.081 20 0 IBADLO CS(=O)(=O)N(c1ccc(OCCNC(=O)NCCn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000773214546 1074119952 /nfs/dbraw/zinc/11/99/52/1074119952.db2.gz XKIOOKARCJBXFT-UHFFFAOYSA-N 1 2 445.523 -0.013 20 0 IBADLO CCC(=O)N1CC[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000773227282 1074120607 /nfs/dbraw/zinc/12/06/07/1074120607.db2.gz KBGIPOFFAPQQAC-AWEZNQCLSA-N 1 2 429.481 -0.186 20 0 IBADLO CCC(=O)N1CC[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000773227293 1074120629 /nfs/dbraw/zinc/12/06/29/1074120629.db2.gz KBGIPOFFAPQQAC-CQSZACIVSA-N 1 2 429.481 -0.186 20 0 IBADLO Cc1ccn(CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(=O)c1 ZINC000773701213 1074165663 /nfs/dbraw/zinc/16/56/63/1074165663.db2.gz FUXWRVMBPFGLSU-UHFFFAOYSA-N 1 2 425.449 -0.275 20 0 IBADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965819 1074217503 /nfs/dbraw/zinc/21/75/03/1074217503.db2.gz UVGXYDHNOPQYFK-FZTQNYJHSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965819 1074217497 /nfs/dbraw/zinc/21/74/97/1074217497.db2.gz UVGXYDHNOPQYFK-FZTQNYJHSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965820 1074217683 /nfs/dbraw/zinc/21/76/83/1074217683.db2.gz UVGXYDHNOPQYFK-KMFGOTIKSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965820 1074217675 /nfs/dbraw/zinc/21/76/75/1074217675.db2.gz UVGXYDHNOPQYFK-KMFGOTIKSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965821 1074217824 /nfs/dbraw/zinc/21/78/24/1074217824.db2.gz UVGXYDHNOPQYFK-QNBXZPKWSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965821 1074217819 /nfs/dbraw/zinc/21/78/19/1074217819.db2.gz UVGXYDHNOPQYFK-QNBXZPKWSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965822 1074217625 /nfs/dbraw/zinc/21/76/25/1074217625.db2.gz UVGXYDHNOPQYFK-SIRSKZSMSA-N 1 2 426.514 -0.136 20 0 IBADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000773965822 1074217618 /nfs/dbraw/zinc/21/76/18/1074217618.db2.gz UVGXYDHNOPQYFK-SIRSKZSMSA-N 1 2 426.514 -0.136 20 0 IBADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000774470416 1074230182 /nfs/dbraw/zinc/23/01/82/1074230182.db2.gz KMSHYYSBONEDCO-UHFFFAOYSA-N 1 2 430.490 -0.317 20 0 IBADLO Cn1c2ncn(CC(=O)OCC[N@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000774762959 1074262501 /nfs/dbraw/zinc/26/25/01/1074262501.db2.gz JJAKLDWUYMPUEK-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1c2ncn(CC(=O)OCC[N@@H+]3CCC[C@@H]3C(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000774762959 1074262497 /nfs/dbraw/zinc/26/24/97/1074262497.db2.gz JJAKLDWUYMPUEK-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C)c(=O)n2C ZINC000774775014 1074262426 /nfs/dbraw/zinc/26/24/26/1074262426.db2.gz IEMYZMZRUULTAB-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO Cn1cnc2c1c(=O)n(CC(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C)c(=O)n2C ZINC000774775014 1074262416 /nfs/dbraw/zinc/26/24/16/1074262416.db2.gz IEMYZMZRUULTAB-CYBMUJFWSA-N 1 2 435.481 -0.217 20 0 IBADLO COc1ccccc1OCCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000774814647 1074264804 /nfs/dbraw/zinc/26/48/04/1074264804.db2.gz JFHBQJRIOJRDAQ-UHFFFAOYSA-N 1 2 427.523 -0.185 20 0 IBADLO C[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1CCSCC1 ZINC000774976914 1074283984 /nfs/dbraw/zinc/28/39/84/1074283984.db2.gz AIMVICLEEPOVSM-AWEZNQCLSA-N 1 2 433.538 -0.008 20 0 IBADLO C[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1CCSCC1 ZINC000774976922 1074283996 /nfs/dbraw/zinc/28/39/96/1074283996.db2.gz AIMVICLEEPOVSM-CQSZACIVSA-N 1 2 433.538 -0.008 20 0 IBADLO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000775010059 1074286071 /nfs/dbraw/zinc/28/60/71/1074286071.db2.gz ZROHMSPKLNVVIS-UHFFFAOYSA-N 1 2 444.496 -0.251 20 0 IBADLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000775098803 1074308572 /nfs/dbraw/zinc/30/85/72/1074308572.db2.gz GWHAKSOUDBYEDH-HNNXBMFYSA-N 1 2 436.513 -0.121 20 0 IBADLO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000775098804 1074308595 /nfs/dbraw/zinc/30/85/95/1074308595.db2.gz GWHAKSOUDBYEDH-OAHLLOKOSA-N 1 2 436.513 -0.121 20 0 IBADLO C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775427913 1074334517 /nfs/dbraw/zinc/33/45/17/1074334517.db2.gz WIIRWXOVXBUBFD-HNNXBMFYSA-N 1 2 449.574 -0.501 20 0 IBADLO C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775427913 1074334511 /nfs/dbraw/zinc/33/45/11/1074334511.db2.gz WIIRWXOVXBUBFD-HNNXBMFYSA-N 1 2 449.574 -0.501 20 0 IBADLO C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775427926 1074334306 /nfs/dbraw/zinc/33/43/06/1074334306.db2.gz WIIRWXOVXBUBFD-OAHLLOKOSA-N 1 2 449.574 -0.501 20 0 IBADLO C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775427926 1074334301 /nfs/dbraw/zinc/33/43/01/1074334301.db2.gz WIIRWXOVXBUBFD-OAHLLOKOSA-N 1 2 449.574 -0.501 20 0 IBADLO Cc1nc(NCCCN2CCCS2(=O)=O)nc(NCCCN2CCCS2(=O)=O)[nH+]1 ZINC000775464654 1074337179 /nfs/dbraw/zinc/33/71/79/1074337179.db2.gz PINNIGNVUALFTD-UHFFFAOYSA-N 1 2 447.587 -0.145 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000775467039 1074337475 /nfs/dbraw/zinc/33/74/75/1074337475.db2.gz VQQNCGVXTFXCHT-UHFFFAOYSA-N 1 2 428.540 -0.148 20 0 IBADLO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000775862890 1074394284 /nfs/dbraw/zinc/39/42/84/1074394284.db2.gz IIGZBBKOKCBZDJ-HNNXBMFYSA-N 1 2 425.530 -0.170 20 0 IBADLO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000775862890 1074394275 /nfs/dbraw/zinc/39/42/75/1074394275.db2.gz IIGZBBKOKCBZDJ-HNNXBMFYSA-N 1 2 425.530 -0.170 20 0 IBADLO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000775862893 1074394549 /nfs/dbraw/zinc/39/45/49/1074394549.db2.gz IIGZBBKOKCBZDJ-OAHLLOKOSA-N 1 2 425.530 -0.170 20 0 IBADLO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000775862893 1074394544 /nfs/dbraw/zinc/39/45/44/1074394544.db2.gz IIGZBBKOKCBZDJ-OAHLLOKOSA-N 1 2 425.530 -0.170 20 0 IBADLO CCOC(=O)C1=C(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)NC(=O)N[C@@H]1C ZINC000776852475 1074432874 /nfs/dbraw/zinc/43/28/74/1074432874.db2.gz JLYJEBKOFUGEJB-GFCCVEGCSA-N 1 2 437.453 -0.982 20 0 IBADLO CCOC(=O)C1=C(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)NC(=O)N[C@H]1C ZINC000776852476 1074432795 /nfs/dbraw/zinc/43/27/95/1074432795.db2.gz JLYJEBKOFUGEJB-LBPRGKRZSA-N 1 2 437.453 -0.982 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000776852560 1074432836 /nfs/dbraw/zinc/43/28/36/1074432836.db2.gz MYCUSIFKOQBBIX-UHFFFAOYSA-N 1 2 430.421 -0.280 20 0 IBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC1CCC2(CC1)OCCO2 ZINC000776852846 1074433331 /nfs/dbraw/zinc/43/33/31/1074433331.db2.gz NNUCGURYKQYPMU-UHFFFAOYSA-N 1 2 438.481 -0.699 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000777247531 1074450421 /nfs/dbraw/zinc/45/04/21/1074450421.db2.gz GTTLBUBCOHHSGJ-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000777257608 1074450633 /nfs/dbraw/zinc/45/06/33/1074450633.db2.gz BFJWQZRGYPYWNI-GOSISDBHSA-N 1 2 429.477 -0.048 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000777257609 1074450436 /nfs/dbraw/zinc/45/04/36/1074450436.db2.gz BFJWQZRGYPYWNI-SFHVURJKSA-N 1 2 429.477 -0.048 20 0 IBADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778122686 1072320317 /nfs/dbraw/zinc/32/03/17/1072320317.db2.gz LJDRIHPVNWJEBN-CVEARBPZSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778122686 1072320308 /nfs/dbraw/zinc/32/03/08/1072320308.db2.gz LJDRIHPVNWJEBN-CVEARBPZSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778122687 1072320438 /nfs/dbraw/zinc/32/04/38/1072320438.db2.gz LJDRIHPVNWJEBN-HOTGVXAUSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778122687 1072320429 /nfs/dbraw/zinc/32/04/29/1072320429.db2.gz LJDRIHPVNWJEBN-HOTGVXAUSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778122688 1072320378 /nfs/dbraw/zinc/32/03/78/1072320378.db2.gz LJDRIHPVNWJEBN-HZPDHXFCSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778122688 1072320369 /nfs/dbraw/zinc/32/03/69/1072320369.db2.gz LJDRIHPVNWJEBN-HZPDHXFCSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778122689 1072320340 /nfs/dbraw/zinc/32/03/40/1072320340.db2.gz LJDRIHPVNWJEBN-JKSUJKDBSA-N 1 2 439.490 -0.557 20 0 IBADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778122689 1072320330 /nfs/dbraw/zinc/32/03/30/1072320330.db2.gz LJDRIHPVNWJEBN-JKSUJKDBSA-N 1 2 439.490 -0.557 20 0 IBADLO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000778942440 1072521729 /nfs/dbraw/zinc/52/17/29/1072521729.db2.gz UBOBHKRMNCMIRH-KRWDZBQOSA-N 1 2 447.536 -0.555 20 0 IBADLO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000778942440 1072521721 /nfs/dbraw/zinc/52/17/21/1072521721.db2.gz UBOBHKRMNCMIRH-KRWDZBQOSA-N 1 2 447.536 -0.555 20 0 IBADLO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000778942455 1072521770 /nfs/dbraw/zinc/52/17/70/1072521770.db2.gz UBOBHKRMNCMIRH-QGZVFWFLSA-N 1 2 447.536 -0.555 20 0 IBADLO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000778942455 1072521760 /nfs/dbraw/zinc/52/17/60/1072521760.db2.gz UBOBHKRMNCMIRH-QGZVFWFLSA-N 1 2 447.536 -0.555 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000779519143 1072591363 /nfs/dbraw/zinc/59/13/63/1072591363.db2.gz OCLSHYGTPLNBBL-BVGQSLNGSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000779519144 1072591388 /nfs/dbraw/zinc/59/13/88/1072591388.db2.gz OCLSHYGTPLNBBL-FSPWUOQZSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000779519147 1072591414 /nfs/dbraw/zinc/59/14/14/1072591414.db2.gz OCLSHYGTPLNBBL-JEBQAFNWSA-N 1 2 434.518 -0.260 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000779519148 1072591272 /nfs/dbraw/zinc/59/12/72/1072591272.db2.gz OCLSHYGTPLNBBL-XWIAVFTESA-N 1 2 434.518 -0.260 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000779564657 1072593403 /nfs/dbraw/zinc/59/34/03/1072593403.db2.gz AOSNLXCCFZWRIT-GOSISDBHSA-N 1 2 449.533 -0.144 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000779564659 1072593443 /nfs/dbraw/zinc/59/34/43/1072593443.db2.gz AOSNLXCCFZWRIT-SFHVURJKSA-N 1 2 449.533 -0.144 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000779567430 1072593299 /nfs/dbraw/zinc/59/32/99/1072593299.db2.gz PVCCLNOETAAOOW-AWEZNQCLSA-N 1 2 427.508 -0.080 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000779567431 1072593355 /nfs/dbraw/zinc/59/33/55/1072593355.db2.gz PVCCLNOETAAOOW-CQSZACIVSA-N 1 2 427.508 -0.080 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621920 1072594352 /nfs/dbraw/zinc/59/43/52/1072594352.db2.gz AKVHQWRPWYUNBD-DLBZAZTESA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621920 1072594345 /nfs/dbraw/zinc/59/43/45/1072594345.db2.gz AKVHQWRPWYUNBD-DLBZAZTESA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621921 1072594275 /nfs/dbraw/zinc/59/42/75/1072594275.db2.gz AKVHQWRPWYUNBD-IAGOWNOFSA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621921 1072594273 /nfs/dbraw/zinc/59/42/73/1072594273.db2.gz AKVHQWRPWYUNBD-IAGOWNOFSA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621922 1072594256 /nfs/dbraw/zinc/59/42/56/1072594256.db2.gz AKVHQWRPWYUNBD-IRXDYDNUSA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621922 1072594253 /nfs/dbraw/zinc/59/42/53/1072594253.db2.gz AKVHQWRPWYUNBD-IRXDYDNUSA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621923 1072594390 /nfs/dbraw/zinc/59/43/90/1072594390.db2.gz AKVHQWRPWYUNBD-SJORKVTESA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779621923 1072594384 /nfs/dbraw/zinc/59/43/84/1072594384.db2.gz AKVHQWRPWYUNBD-SJORKVTESA-N 1 2 446.570 -0.198 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779623012 1072594373 /nfs/dbraw/zinc/59/43/73/1072594373.db2.gz WGHCKBGJJRZUGJ-INIZCTEOSA-N 1 2 432.543 -0.587 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779623012 1072594368 /nfs/dbraw/zinc/59/43/68/1072594368.db2.gz WGHCKBGJJRZUGJ-INIZCTEOSA-N 1 2 432.543 -0.587 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779623013 1072594213 /nfs/dbraw/zinc/59/42/13/1072594213.db2.gz WGHCKBGJJRZUGJ-MRXNPFEDSA-N 1 2 432.543 -0.587 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779623013 1072594208 /nfs/dbraw/zinc/59/42/08/1072594208.db2.gz WGHCKBGJJRZUGJ-MRXNPFEDSA-N 1 2 432.543 -0.587 20 0 IBADLO COC(=O)c1cc(C(=O)OC)n(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000779791756 1072595354 /nfs/dbraw/zinc/59/53/54/1072595354.db2.gz LJIXROHXKRDKQQ-UHFFFAOYSA-N 1 2 442.436 -0.518 20 0 IBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cn3ncn(C)c3=O)CC2)cc1OC ZINC000781263844 1072965638 /nfs/dbraw/zinc/96/56/38/1072965638.db2.gz PPOPVXGNBCYPRR-UHFFFAOYSA-N 1 2 447.492 -0.205 20 0 IBADLO COC(=O)c1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)on1 ZINC000781274347 1072966519 /nfs/dbraw/zinc/96/65/19/1072966519.db2.gz UECSZNBUEDLXGF-UHFFFAOYSA-N 1 2 429.393 -0.357 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000781938574 1072974637 /nfs/dbraw/zinc/97/46/37/1072974637.db2.gz ZFJMHEDZHROUSN-UHFFFAOYSA-N 1 2 436.600 -0.249 20 0 IBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000781991115 1072976409 /nfs/dbraw/zinc/97/64/09/1072976409.db2.gz CCERSEAWPMHHPT-UHFFFAOYSA-N 1 2 427.461 -0.065 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000782107569 1072976824 /nfs/dbraw/zinc/97/68/24/1072976824.db2.gz LBJDILUXYTVDFV-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000782109183 1072976917 /nfs/dbraw/zinc/97/69/17/1072976917.db2.gz XYWHJNPCZZKFCC-UHFFFAOYSA-N 1 2 439.538 -0.655 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000782114656 1072976996 /nfs/dbraw/zinc/97/69/96/1072976996.db2.gz KFAHJNSDKSHYCQ-KRWDZBQOSA-N 1 2 429.477 -0.048 20 0 IBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000782114657 1072976798 /nfs/dbraw/zinc/97/67/98/1072976798.db2.gz KFAHJNSDKSHYCQ-QGZVFWFLSA-N 1 2 429.477 -0.048 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)CC1 ZINC000782116121 1072976977 /nfs/dbraw/zinc/97/69/77/1072976977.db2.gz ZCXISEUWONUQJC-GOSISDBHSA-N 1 2 429.477 -0.048 20 0 IBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)CC1 ZINC000782116123 1072977476 /nfs/dbraw/zinc/97/74/76/1072977476.db2.gz ZCXISEUWONUQJC-SFHVURJKSA-N 1 2 429.477 -0.048 20 0 IBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)OC ZINC000782174978 1072978494 /nfs/dbraw/zinc/97/84/94/1072978494.db2.gz AAPCXMRZAZULGB-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)OC ZINC000782174978 1072978493 /nfs/dbraw/zinc/97/84/93/1072978493.db2.gz AAPCXMRZAZULGB-UHFFFAOYSA-N 1 2 447.529 -0.038 20 0 IBADLO CC(=O)c1ccc(S(C)(=O)=O)c(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000782270574 1072979157 /nfs/dbraw/zinc/97/91/57/1072979157.db2.gz JETNNBCMXPEDIX-UHFFFAOYSA-N 1 2 444.579 -0.093 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000782616244 1072981795 /nfs/dbraw/zinc/98/17/95/1072981795.db2.gz ANDRPRSMZLRORE-IFXJQAMLSA-N 1 2 425.507 -0.031 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000782616244 1072981783 /nfs/dbraw/zinc/98/17/83/1072981783.db2.gz ANDRPRSMZLRORE-IFXJQAMLSA-N 1 2 425.507 -0.031 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000782616247 1072981748 /nfs/dbraw/zinc/98/17/48/1072981748.db2.gz ANDRPRSMZLRORE-KUHUBIRLSA-N 1 2 425.507 -0.031 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000782616247 1072981732 /nfs/dbraw/zinc/98/17/32/1072981732.db2.gz ANDRPRSMZLRORE-KUHUBIRLSA-N 1 2 425.507 -0.031 20 0 IBADLO CC1(C)OC[C@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000783177375 1072986706 /nfs/dbraw/zinc/98/67/06/1072986706.db2.gz WKTWBERKIRZDIW-HNNXBMFYSA-N 1 2 427.527 -0.016 20 0 IBADLO CC1(C)OC[C@@H](CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000783177377 1072986604 /nfs/dbraw/zinc/98/66/04/1072986604.db2.gz WKTWBERKIRZDIW-OAHLLOKOSA-N 1 2 427.527 -0.016 20 0 IBADLO O=C(NCCN1CCCOCC1)C(F)(F)C(F)(F)C(=O)NCC[N@H+]1CCCOCC1 ZINC000783843841 1072991977 /nfs/dbraw/zinc/99/19/77/1072991977.db2.gz ACLDSSHAZBPGJN-UHFFFAOYSA-N 1 2 442.454 -0.066 20 0 IBADLO O=C(NCCN1CCCOCC1)C(F)(F)C(F)(F)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000783843841 1072991974 /nfs/dbraw/zinc/99/19/74/1072991974.db2.gz ACLDSSHAZBPGJN-UHFFFAOYSA-N 1 2 442.454 -0.066 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C[C@@H](c4c[nH+]cn4C)CC3=O)CC2)C[C@H](C)O1 ZINC000783973839 1072993134 /nfs/dbraw/zinc/99/31/34/1072993134.db2.gz PDGJVYDLSSQFGL-BBWFWOEESA-N 1 2 440.570 -0.335 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C[C@H](c4c[nH+]cn4C)CC3=O)CC2)C[C@@H](C)O1 ZINC000783973842 1072992857 /nfs/dbraw/zinc/99/28/57/1072992857.db2.gz PDGJVYDLSSQFGL-BRWVUGGUSA-N 1 2 440.570 -0.335 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C[C@H](c4c[nH+]cn4C)CC3=O)CC2)C[C@H](C)O1 ZINC000783973845 1072993075 /nfs/dbraw/zinc/99/30/75/1072993075.db2.gz PDGJVYDLSSQFGL-IXDOHACOSA-N 1 2 440.570 -0.335 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C[C@@H](c4c[nH+]cn4C)CC3=O)CC2)C[C@@H](C)O1 ZINC000783973851 1072992984 /nfs/dbraw/zinc/99/29/84/1072992984.db2.gz PDGJVYDLSSQFGL-ZACQAIPSSA-N 1 2 440.570 -0.335 20 0 IBADLO COCCn1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000784313854 1072994665 /nfs/dbraw/zinc/99/46/65/1072994665.db2.gz WGODPFZIFXGDPK-UHFFFAOYSA-N 1 2 428.453 -0.288 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000784351874 1072994626 /nfs/dbraw/zinc/99/46/26/1072994626.db2.gz FZNONJIOOYUCPD-HNNXBMFYSA-N 1 2 427.527 -0.421 20 0 IBADLO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000784351878 1072994605 /nfs/dbraw/zinc/99/46/05/1072994605.db2.gz FZNONJIOOYUCPD-OAHLLOKOSA-N 1 2 427.527 -0.421 20 0 IBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC3(COC(=O)N3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000784455799 1072995524 /nfs/dbraw/zinc/99/55/24/1072995524.db2.gz ZQKVDBCTUUNQFM-UHFFFAOYSA-N 1 2 427.461 -0.065 20 0 IBADLO CN1C(=S)N=NC1C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000784581256 1072996545 /nfs/dbraw/zinc/99/65/45/1072996545.db2.gz RTVKDOHFABVVKX-UHFFFAOYSA-N 1 2 448.553 -0.023 20 0 IBADLO CN1C(=S)N=NC1C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000784581526 1072996644 /nfs/dbraw/zinc/99/66/44/1072996644.db2.gz NIROUCNPEBYLKK-UHFFFAOYSA-N 1 2 448.553 -0.023 20 0 IBADLO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000784632030 1072996473 /nfs/dbraw/zinc/99/64/73/1072996473.db2.gz FEXRMULIKJSBSE-AWEZNQCLSA-N 1 2 448.553 -0.023 20 0 IBADLO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000784632031 1072997159 /nfs/dbraw/zinc/99/71/59/1072997159.db2.gz FEXRMULIKJSBSE-CQSZACIVSA-N 1 2 448.553 -0.023 20 0 IBADLO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000784633409 1072997022 /nfs/dbraw/zinc/99/70/22/1072997022.db2.gz ICNGTNIOMNVHOJ-AWEZNQCLSA-N 1 2 448.553 -0.023 20 0 IBADLO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000784633410 1072996995 /nfs/dbraw/zinc/99/69/95/1072996995.db2.gz ICNGTNIOMNVHOJ-CQSZACIVSA-N 1 2 448.553 -0.023 20 0 IBADLO COc1ccc(CCS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000784737413 1072997993 /nfs/dbraw/zinc/99/79/93/1072997993.db2.gz PLNCNXITKGCKMI-UHFFFAOYSA-N 1 2 446.595 -0.323 20 0 IBADLO CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000784811874 1072999394 /nfs/dbraw/zinc/99/93/94/1072999394.db2.gz MLQPYBDWHKHDRK-AWEZNQCLSA-N 1 2 446.430 -0.225 20 0 IBADLO CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000784811892 1072999424 /nfs/dbraw/zinc/99/94/24/1072999424.db2.gz MLQPYBDWHKHDRK-CQSZACIVSA-N 1 2 446.430 -0.225 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000784968207 1070883366 /nfs/dbraw/zinc/88/33/66/1070883366.db2.gz CAAQLOVQYUJDLG-GFCCVEGCSA-N 1 2 435.449 -0.227 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000784968208 1070883495 /nfs/dbraw/zinc/88/34/95/1070883495.db2.gz CAAQLOVQYUJDLG-LBPRGKRZSA-N 1 2 435.449 -0.227 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000784972250 1070886028 /nfs/dbraw/zinc/88/60/28/1070886028.db2.gz PCFLEDFBQLVMCH-IBGZPJMESA-N 1 2 428.489 -0.013 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000784972255 1070885607 /nfs/dbraw/zinc/88/56/07/1070885607.db2.gz PCFLEDFBQLVMCH-LJQANCHMSA-N 1 2 428.489 -0.013 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000784972293 1070886077 /nfs/dbraw/zinc/88/60/77/1070886077.db2.gz PVEIIJGAVPQYAV-CYBMUJFWSA-N 1 2 435.449 -0.227 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000784972295 1070885684 /nfs/dbraw/zinc/88/56/84/1070885684.db2.gz PVEIIJGAVPQYAV-ZDUSSCGKSA-N 1 2 435.449 -0.227 20 0 IBADLO COC(CN(CCCO)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)OC ZINC000785073832 1071004049 /nfs/dbraw/zinc/00/40/49/1071004049.db2.gz MBRMFLGWLZWTES-UHFFFAOYSA-N 1 2 436.509 -0.157 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)[C@@H](C)C1 ZINC000785218340 1071261149 /nfs/dbraw/zinc/26/11/49/1071261149.db2.gz RUYRIKWZAFENMH-HNNXBMFYSA-N 1 2 431.493 -0.343 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)[C@@H](C)C1 ZINC000785218340 1071261139 /nfs/dbraw/zinc/26/11/39/1071261139.db2.gz RUYRIKWZAFENMH-HNNXBMFYSA-N 1 2 431.493 -0.343 20 0 IBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)[C@H](C)C1 ZINC000785218342 1071261252 /nfs/dbraw/zinc/26/12/52/1071261252.db2.gz RUYRIKWZAFENMH-OAHLLOKOSA-N 1 2 431.493 -0.343 20 0 IBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)[C@H](C)C1 ZINC000785218342 1071261235 /nfs/dbraw/zinc/26/12/35/1071261235.db2.gz RUYRIKWZAFENMH-OAHLLOKOSA-N 1 2 431.493 -0.343 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000785502223 1073698490 /nfs/dbraw/zinc/69/84/90/1073698490.db2.gz NXUJXGJHKGKZCI-UHFFFAOYSA-N 1 2 425.507 -0.301 20 0 IBADLO COc1ccc(OCCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000785560683 1073700192 /nfs/dbraw/zinc/70/01/92/1073700192.db2.gz ODSHCDHBQPUVCV-UHFFFAOYSA-N 1 2 427.523 -0.185 20 0 IBADLO COc1ccccc1[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1nccn1C ZINC000785648269 1073701401 /nfs/dbraw/zinc/70/14/01/1073701401.db2.gz ONSONQWCZJNBRJ-APWZRJJASA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccccc1[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1nccn1C ZINC000785648275 1073701300 /nfs/dbraw/zinc/70/13/00/1073701300.db2.gz ONSONQWCZJNBRJ-LPHOPBHVSA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccccc1[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1nccn1C ZINC000785648278 1073701258 /nfs/dbraw/zinc/70/12/58/1073701258.db2.gz ONSONQWCZJNBRJ-QFBILLFUSA-N 1 2 445.520 -0.214 20 0 IBADLO COc1ccccc1[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1nccn1C ZINC000785648280 1073701465 /nfs/dbraw/zinc/70/14/65/1073701465.db2.gz ONSONQWCZJNBRJ-VQIMIIECSA-N 1 2 445.520 -0.214 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000785649548 1073702085 /nfs/dbraw/zinc/70/20/85/1073702085.db2.gz BCBHOCAQRJDNPV-INIZCTEOSA-N 1 2 433.461 -0.245 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000785649551 1073702058 /nfs/dbraw/zinc/70/20/58/1073702058.db2.gz BCBHOCAQRJDNPV-MRXNPFEDSA-N 1 2 433.461 -0.245 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000785650821 1073702036 /nfs/dbraw/zinc/70/20/36/1073702036.db2.gz FMXBKPDZAHMNMG-CYBMUJFWSA-N 1 2 431.449 -0.069 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000785650823 1073701853 /nfs/dbraw/zinc/70/18/53/1073701853.db2.gz FMXBKPDZAHMNMG-ZDUSSCGKSA-N 1 2 431.449 -0.069 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000785651492 1073701886 /nfs/dbraw/zinc/70/18/86/1073701886.db2.gz IGXZOIVDKUYFDQ-GOSISDBHSA-N 1 2 448.520 -0.352 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000785651494 1073702001 /nfs/dbraw/zinc/70/20/01/1073702001.db2.gz IGXZOIVDKUYFDQ-SFHVURJKSA-N 1 2 448.520 -0.352 20 0 IBADLO CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785652359 1073701872 /nfs/dbraw/zinc/70/18/72/1073701872.db2.gz LYHNHDGJRLAKFK-DLBZAZTESA-N 1 2 439.509 -0.346 20 0 IBADLO CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785652361 1073701899 /nfs/dbraw/zinc/70/18/99/1073701899.db2.gz LYHNHDGJRLAKFK-IAGOWNOFSA-N 1 2 439.509 -0.346 20 0 IBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785652363 1073701915 /nfs/dbraw/zinc/70/19/15/1073701915.db2.gz LYHNHDGJRLAKFK-IRXDYDNUSA-N 1 2 439.509 -0.346 20 0 IBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785652365 1073701983 /nfs/dbraw/zinc/70/19/83/1073701983.db2.gz LYHNHDGJRLAKFK-SJORKVTESA-N 1 2 439.509 -0.346 20 0 IBADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000785652814 1073702614 /nfs/dbraw/zinc/70/26/14/1073702614.db2.gz NWZXYURSTRLQTC-FXAWDEMLSA-N 1 2 446.504 -0.686 20 0 IBADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000785652816 1073702667 /nfs/dbraw/zinc/70/26/67/1073702667.db2.gz NWZXYURSTRLQTC-PXNSSMCTSA-N 1 2 446.504 -0.686 20 0 IBADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000785652818 1073702604 /nfs/dbraw/zinc/70/26/04/1073702604.db2.gz NWZXYURSTRLQTC-XLIONFOSSA-N 1 2 446.504 -0.686 20 0 IBADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000785652820 1073702647 /nfs/dbraw/zinc/70/26/47/1073702647.db2.gz NWZXYURSTRLQTC-YLJYHZDGSA-N 1 2 446.504 -0.686 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCCN1CCc2ccccc21 ZINC000785652963 1073702659 /nfs/dbraw/zinc/70/26/59/1073702659.db2.gz PDSGDMWXNQFVPD-IBGZPJMESA-N 1 2 444.532 -0.111 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCCN1CCc2ccccc21 ZINC000785652967 1073702545 /nfs/dbraw/zinc/70/25/45/1073702545.db2.gz PDSGDMWXNQFVPD-LJQANCHMSA-N 1 2 444.532 -0.111 20 0 IBADLO O=C(OCCNS(=O)(=O)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653350 1073702531 /nfs/dbraw/zinc/70/25/31/1073702531.db2.gz QAVPUVJEMITIBR-INIZCTEOSA-N 1 2 425.507 -0.311 20 0 IBADLO O=C(OCCNS(=O)(=O)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653375 1073702672 /nfs/dbraw/zinc/70/26/72/1073702672.db2.gz QAVPUVJEMITIBR-MRXNPFEDSA-N 1 2 425.507 -0.311 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785653582 1073702639 /nfs/dbraw/zinc/70/26/39/1073702639.db2.gz QPPBULJJZUXZDN-DOTOQJQBSA-N 1 2 439.509 -0.490 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785653593 1073702567 /nfs/dbraw/zinc/70/25/67/1073702567.db2.gz QPPBULJJZUXZDN-NVXWUHKLSA-N 1 2 439.509 -0.490 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785653594 1073702655 /nfs/dbraw/zinc/70/26/55/1073702655.db2.gz QPPBULJJZUXZDN-RDJZCZTQSA-N 1 2 439.509 -0.490 20 0 IBADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785653595 1073702517 /nfs/dbraw/zinc/70/25/17/1073702517.db2.gz QPPBULJJZUXZDN-WBVHZDCISA-N 1 2 439.509 -0.490 20 0 IBADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000785656122 1073702944 /nfs/dbraw/zinc/70/29/44/1073702944.db2.gz VNCYWHASJQFTGW-CHWSQXEVSA-N 1 2 431.453 -0.596 20 0 IBADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000785656128 1073703066 /nfs/dbraw/zinc/70/30/66/1073703066.db2.gz VNCYWHASJQFTGW-OLZOCXBDSA-N 1 2 431.453 -0.596 20 0 IBADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000785656133 1073702994 /nfs/dbraw/zinc/70/29/94/1073702994.db2.gz VNCYWHASJQFTGW-QWHCGFSZSA-N 1 2 431.453 -0.596 20 0 IBADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000785656138 1073703202 /nfs/dbraw/zinc/70/32/02/1073703202.db2.gz VNCYWHASJQFTGW-STQMWFEESA-N 1 2 431.453 -0.596 20 0 IBADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000785656483 1073703759 /nfs/dbraw/zinc/70/37/59/1073703759.db2.gz LBBRLXBOUFTZEU-GDBMZVCRSA-N 1 2 432.477 -0.164 20 0 IBADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000785656504 1073703621 /nfs/dbraw/zinc/70/36/21/1073703621.db2.gz LBBRLXBOUFTZEU-GOEBONIOSA-N 1 2 432.477 -0.164 20 0 IBADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000785656505 1073703721 /nfs/dbraw/zinc/70/37/21/1073703721.db2.gz LBBRLXBOUFTZEU-HOCLYGCPSA-N 1 2 432.477 -0.164 20 0 IBADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000785656507 1073703799 /nfs/dbraw/zinc/70/37/99/1073703799.db2.gz LBBRLXBOUFTZEU-ZBFHGGJFSA-N 1 2 432.477 -0.164 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC1CCC2(CC1)OCCO2 ZINC000785657067 1073702977 /nfs/dbraw/zinc/70/29/77/1073702977.db2.gz MPXBSVAWGCFEIK-INIZCTEOSA-N 1 2 439.509 -0.488 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC1CCC2(CC1)OCCO2 ZINC000785657068 1073703602 /nfs/dbraw/zinc/70/36/02/1073703602.db2.gz MPXBSVAWGCFEIK-MRXNPFEDSA-N 1 2 439.509 -0.488 20 0 IBADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000785657082 1073703644 /nfs/dbraw/zinc/70/36/44/1073703644.db2.gz MZLNSETYKBSFEF-NEPJUHHUSA-N 1 2 438.403 -0.513 20 0 IBADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000785657088 1073703699 /nfs/dbraw/zinc/70/36/99/1073703699.db2.gz MZLNSETYKBSFEF-NWDGAFQWSA-N 1 2 438.403 -0.513 20 0 IBADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000785657090 1073703743 /nfs/dbraw/zinc/70/37/43/1073703743.db2.gz MZLNSETYKBSFEF-RYUDHWBXSA-N 1 2 438.403 -0.513 20 0 IBADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NC(=O)NCC(F)(F)F ZINC000785657093 1073703812 /nfs/dbraw/zinc/70/38/12/1073703812.db2.gz MZLNSETYKBSFEF-VXGBXAGGSA-N 1 2 438.403 -0.513 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000785657188 1073703236 /nfs/dbraw/zinc/70/32/36/1073703236.db2.gz XQYVOOGBASAVIM-DLBZAZTESA-N 1 2 447.488 -0.334 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000785657193 1073703115 /nfs/dbraw/zinc/70/31/15/1073703115.db2.gz XQYVOOGBASAVIM-IAGOWNOFSA-N 1 2 447.488 -0.334 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000785657195 1073703140 /nfs/dbraw/zinc/70/31/40/1073703140.db2.gz XQYVOOGBASAVIM-IRXDYDNUSA-N 1 2 447.488 -0.334 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000785657197 1073703189 /nfs/dbraw/zinc/70/31/89/1073703189.db2.gz XQYVOOGBASAVIM-SJORKVTESA-N 1 2 447.488 -0.334 20 0 IBADLO COC(=O)C1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785657741 1073703682 /nfs/dbraw/zinc/70/36/82/1073703682.db2.gz BPQBRDUQUZZNJF-INIZCTEOSA-N 1 2 425.482 -0.878 20 0 IBADLO COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785657742 1073703662 /nfs/dbraw/zinc/70/36/62/1073703662.db2.gz BPQBRDUQUZZNJF-MRXNPFEDSA-N 1 2 425.482 -0.878 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)Nc2ccccc21 ZINC000785658135 1073704203 /nfs/dbraw/zinc/70/42/03/1073704203.db2.gz JLQKBPAXMSDFOE-HNNXBMFYSA-N 1 2 430.461 -0.304 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)Nc2ccccc21 ZINC000785658140 1073704329 /nfs/dbraw/zinc/70/43/29/1073704329.db2.gz JLQKBPAXMSDFOE-OAHLLOKOSA-N 1 2 430.461 -0.304 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)NCc1cccs1 ZINC000785658329 1073703692 /nfs/dbraw/zinc/70/36/92/1073703692.db2.gz CKDLADDOHKNODI-AWEZNQCLSA-N 1 2 438.506 -0.202 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)NCc1cccs1 ZINC000785658369 1073703779 /nfs/dbraw/zinc/70/37/79/1073703779.db2.gz CKDLADDOHKNODI-CQSZACIVSA-N 1 2 438.506 -0.202 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000785658700 1073704160 /nfs/dbraw/zinc/70/41/60/1073704160.db2.gz LCFSTNKIVLWQAW-KBPBESRZSA-N 1 2 437.453 -0.417 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000785658703 1073704445 /nfs/dbraw/zinc/70/44/45/1073704445.db2.gz LCFSTNKIVLWQAW-KGLIPLIRSA-N 1 2 437.453 -0.417 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000785658706 1073704120 /nfs/dbraw/zinc/70/41/20/1073704120.db2.gz LCFSTNKIVLWQAW-UONOGXRCSA-N 1 2 437.453 -0.417 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000785658711 1073704405 /nfs/dbraw/zinc/70/44/05/1073704405.db2.gz LCFSTNKIVLWQAW-ZIAGYGMSSA-N 1 2 437.453 -0.417 20 0 IBADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785659236 1073704181 /nfs/dbraw/zinc/70/41/81/1073704181.db2.gz GVKRFZVHFUUFOX-KRWDZBQOSA-N 1 2 439.509 -0.488 20 0 IBADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785659243 1073704378 /nfs/dbraw/zinc/70/43/78/1073704378.db2.gz GVKRFZVHFUUFOX-QGZVFWFLSA-N 1 2 439.509 -0.488 20 0 IBADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000785659699 1073704234 /nfs/dbraw/zinc/70/42/34/1073704234.db2.gz CRVGHCVYRGRWCJ-HNNXBMFYSA-N 1 2 441.506 -0.563 20 0 IBADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000785659708 1073704144 /nfs/dbraw/zinc/70/41/44/1073704144.db2.gz CRVGHCVYRGRWCJ-OAHLLOKOSA-N 1 2 441.506 -0.563 20 0 IBADLO NS(=O)(=O)c1ccc(CCOC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000785660268 1073704259 /nfs/dbraw/zinc/70/42/59/1073704259.db2.gz PLFUGIASHFTJOD-INIZCTEOSA-N 1 2 425.507 -0.400 20 0 IBADLO NS(=O)(=O)c1ccc(CCOC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000785660274 1073704347 /nfs/dbraw/zinc/70/43/47/1073704347.db2.gz PLFUGIASHFTJOD-MRXNPFEDSA-N 1 2 425.507 -0.400 20 0 IBADLO C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCCC1 ZINC000785660759 1073704894 /nfs/dbraw/zinc/70/48/94/1073704894.db2.gz XPJIORPLSBBZGI-DLBZAZTESA-N 1 2 438.525 -0.773 20 0 IBADLO C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCCC1 ZINC000785660761 1073704976 /nfs/dbraw/zinc/70/49/76/1073704976.db2.gz XPJIORPLSBBZGI-IAGOWNOFSA-N 1 2 438.525 -0.773 20 0 IBADLO C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCCC1 ZINC000785660763 1073705021 /nfs/dbraw/zinc/70/50/21/1073705021.db2.gz XPJIORPLSBBZGI-IRXDYDNUSA-N 1 2 438.525 -0.773 20 0 IBADLO C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCCC1 ZINC000785660765 1073705044 /nfs/dbraw/zinc/70/50/44/1073705044.db2.gz XPJIORPLSBBZGI-SJORKVTESA-N 1 2 438.525 -0.773 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000785661040 1073704364 /nfs/dbraw/zinc/70/43/64/1073704364.db2.gz SCKCZQTYWOJZGH-INIZCTEOSA-N 1 2 425.482 -0.924 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000785661043 1073704296 /nfs/dbraw/zinc/70/42/96/1073704296.db2.gz SCKCZQTYWOJZGH-MRXNPFEDSA-N 1 2 425.482 -0.924 20 0 IBADLO COC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000785661268 1073705062 /nfs/dbraw/zinc/70/50/62/1073705062.db2.gz YGLBBVBRVSKBDW-AWEZNQCLSA-N 1 2 434.449 -0.469 20 0 IBADLO COC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000785661277 1073704939 /nfs/dbraw/zinc/70/49/39/1073704939.db2.gz YGLBBVBRVSKBDW-CQSZACIVSA-N 1 2 434.449 -0.469 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000785661323 1073704789 /nfs/dbraw/zinc/70/47/89/1073704789.db2.gz MYMADAXQAHSVSF-AWEZNQCLSA-N 1 2 429.495 -0.246 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000785661326 1073704911 /nfs/dbraw/zinc/70/49/11/1073704911.db2.gz MYMADAXQAHSVSF-CQSZACIVSA-N 1 2 429.495 -0.246 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc(-c2ccco2)o1 ZINC000785661447 1073704814 /nfs/dbraw/zinc/70/48/14/1073704814.db2.gz JCQPDOGRHRMUFL-CYBMUJFWSA-N 1 2 433.421 -0.008 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1nnc(-c2ccco2)o1 ZINC000785661448 1073704773 /nfs/dbraw/zinc/70/47/73/1073704773.db2.gz JCQPDOGRHRMUFL-ZDUSSCGKSA-N 1 2 433.421 -0.008 20 0 IBADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785661795 1073705617 /nfs/dbraw/zinc/70/56/17/1073705617.db2.gz VXFFETILPNGCLX-DLBZAZTESA-N 1 2 439.509 -0.488 20 0 IBADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785661798 1073705523 /nfs/dbraw/zinc/70/55/23/1073705523.db2.gz VXFFETILPNGCLX-IAGOWNOFSA-N 1 2 439.509 -0.488 20 0 IBADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785661801 1073705556 /nfs/dbraw/zinc/70/55/56/1073705556.db2.gz VXFFETILPNGCLX-IRXDYDNUSA-N 1 2 439.509 -0.488 20 0 IBADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785661803 1073705500 /nfs/dbraw/zinc/70/55/00/1073705500.db2.gz VXFFETILPNGCLX-SJORKVTESA-N 1 2 439.509 -0.488 20 0 IBADLO CCOC(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785662000 1073704959 /nfs/dbraw/zinc/70/49/59/1073704959.db2.gz JYGLQQRUXJZZGI-INIZCTEOSA-N 1 2 440.497 -0.989 20 0 IBADLO CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785662002 1073704879 /nfs/dbraw/zinc/70/48/79/1073704879.db2.gz JYGLQQRUXJZZGI-MRXNPFEDSA-N 1 2 440.497 -0.989 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000785662045 1073705072 /nfs/dbraw/zinc/70/50/72/1073705072.db2.gz KLZNXRSJLGIGNN-MSOLQXFVSA-N 1 2 431.489 -0.170 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000785662061 1073704830 /nfs/dbraw/zinc/70/48/30/1073704830.db2.gz KLZNXRSJLGIGNN-QZTJIDSGSA-N 1 2 431.489 -0.170 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000785662065 1073704844 /nfs/dbraw/zinc/70/48/44/1073704844.db2.gz KLZNXRSJLGIGNN-ROUUACIJSA-N 1 2 431.489 -0.170 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000785662069 1073705426 /nfs/dbraw/zinc/70/54/26/1073705426.db2.gz KLZNXRSJLGIGNN-ZWKOTPCHSA-N 1 2 431.489 -0.170 20 0 IBADLO COC(=O)C1(NC(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000785662391 1073705000 /nfs/dbraw/zinc/70/50/00/1073705000.db2.gz XIQDMNQKGCBVPK-INIZCTEOSA-N 1 2 439.509 -0.298 20 0 IBADLO COC(=O)C1(NC(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000785662396 1073704803 /nfs/dbraw/zinc/70/48/03/1073704803.db2.gz XIQDMNQKGCBVPK-MRXNPFEDSA-N 1 2 439.509 -0.298 20 0 IBADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1sccc1C(N)=O ZINC000785663802 1073705483 /nfs/dbraw/zinc/70/54/83/1073705483.db2.gz YSJVWNGDXFHYKT-CHWSQXEVSA-N 1 2 438.506 -0.102 20 0 IBADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1sccc1C(N)=O ZINC000785663806 1073705572 /nfs/dbraw/zinc/70/55/72/1073705572.db2.gz YSJVWNGDXFHYKT-OLZOCXBDSA-N 1 2 438.506 -0.102 20 0 IBADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1sccc1C(N)=O ZINC000785663809 1073705591 /nfs/dbraw/zinc/70/55/91/1073705591.db2.gz YSJVWNGDXFHYKT-QWHCGFSZSA-N 1 2 438.506 -0.102 20 0 IBADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)Nc1sccc1C(N)=O ZINC000785663812 1073705449 /nfs/dbraw/zinc/70/54/49/1073705449.db2.gz YSJVWNGDXFHYKT-STQMWFEESA-N 1 2 438.506 -0.102 20 0 IBADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)NCc1ccccc1 ZINC000785664749 1073705460 /nfs/dbraw/zinc/70/54/60/1073705460.db2.gz UIEIHDDBJMQWKY-KRWDZBQOSA-N 1 2 432.477 -0.264 20 0 IBADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)NCc1ccccc1 ZINC000785664753 1073705476 /nfs/dbraw/zinc/70/54/76/1073705476.db2.gz UIEIHDDBJMQWKY-QGZVFWFLSA-N 1 2 432.477 -0.264 20 0 IBADLO CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC(=O)N[C@H]1C ZINC000785665314 1073705438 /nfs/dbraw/zinc/70/54/38/1073705438.db2.gz WWIQNEYRGDPVAQ-KBPBESRZSA-N 1 2 438.481 -0.771 20 0 IBADLO CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC(=O)N[C@@H]1C ZINC000785665319 1073706077 /nfs/dbraw/zinc/70/60/77/1073706077.db2.gz WWIQNEYRGDPVAQ-KGLIPLIRSA-N 1 2 438.481 -0.771 20 0 IBADLO CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC(=O)N[C@H]1C ZINC000785665322 1073706119 /nfs/dbraw/zinc/70/61/19/1073706119.db2.gz WWIQNEYRGDPVAQ-UONOGXRCSA-N 1 2 438.481 -0.771 20 0 IBADLO CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC(=O)N[C@@H]1C ZINC000785665323 1073706086 /nfs/dbraw/zinc/70/60/86/1073706086.db2.gz WWIQNEYRGDPVAQ-ZIAGYGMSSA-N 1 2 438.481 -0.771 20 0 IBADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000785871599 1073707750 /nfs/dbraw/zinc/70/77/50/1073707750.db2.gz TYHYLLFAJQLZLV-HOTGVXAUSA-N 1 2 446.614 -0.384 20 0 IBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000785871601 1073707769 /nfs/dbraw/zinc/70/77/69/1073707769.db2.gz TYHYLLFAJQLZLV-HZPDHXFCSA-N 1 2 446.614 -0.384 20 0 IBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000785871602 1073708182 /nfs/dbraw/zinc/70/81/82/1073708182.db2.gz TYHYLLFAJQLZLV-IYBDPMFKSA-N 1 2 446.614 -0.384 20 0 IBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000785871602 1073708175 /nfs/dbraw/zinc/70/81/75/1073708175.db2.gz TYHYLLFAJQLZLV-IYBDPMFKSA-N 1 2 446.614 -0.384 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786377800 1073721582 /nfs/dbraw/zinc/72/15/82/1073721582.db2.gz SRPDHSQYGAOHNI-IBGZPJMESA-N 1 2 432.521 -0.310 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786377801 1073721557 /nfs/dbraw/zinc/72/15/57/1073721557.db2.gz SRPDHSQYGAOHNI-LJQANCHMSA-N 1 2 432.521 -0.310 20 0 IBADLO CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCOCC1 ZINC000786456987 1073723961 /nfs/dbraw/zinc/72/39/61/1073723961.db2.gz FYJDFFQWGFFQNN-KRWDZBQOSA-N 1 2 432.587 -0.915 20 0 IBADLO CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCOCC1 ZINC000786456990 1073723905 /nfs/dbraw/zinc/72/39/05/1073723905.db2.gz FYJDFFQWGFFQNN-QGZVFWFLSA-N 1 2 432.587 -0.915 20 0 IBADLO COC(=O)c1cn(CC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000786549367 1073724408 /nfs/dbraw/zinc/72/44/08/1073724408.db2.gz ITWDKESBKGEQDQ-UHFFFAOYSA-N 1 2 443.460 -0.113 20 0 IBADLO COc1ccc(OC)c(CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000786681300 1073728571 /nfs/dbraw/zinc/72/85/71/1073728571.db2.gz CPCRLACDJGFZDH-UHFFFAOYSA-N 1 2 441.550 -0.012 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786701672 1073727893 /nfs/dbraw/zinc/72/78/93/1073727893.db2.gz GLDFBHRIPDYOFO-UHFFFAOYSA-N 1 2 432.485 -0.347 20 0 IBADLO CC(C)(C)OC(=O)NCCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000786705633 1073727837 /nfs/dbraw/zinc/72/78/37/1073727837.db2.gz UPEWRVYXJUBJDX-UHFFFAOYSA-N 1 2 448.524 -0.123 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000786993246 1073731923 /nfs/dbraw/zinc/73/19/23/1073731923.db2.gz LVIFXHXDFHMUTO-KBPBESRZSA-N 1 2 445.480 -0.064 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000786993250 1073731739 /nfs/dbraw/zinc/73/17/39/1073731739.db2.gz LVIFXHXDFHMUTO-KGLIPLIRSA-N 1 2 445.480 -0.064 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000786993253 1073731901 /nfs/dbraw/zinc/73/19/01/1073731901.db2.gz LVIFXHXDFHMUTO-UONOGXRCSA-N 1 2 445.480 -0.064 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000786993256 1073731870 /nfs/dbraw/zinc/73/18/70/1073731870.db2.gz LVIFXHXDFHMUTO-ZIAGYGMSSA-N 1 2 445.480 -0.064 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000786994477 1073732540 /nfs/dbraw/zinc/73/25/40/1073732540.db2.gz CKVQBFYIFIBURQ-DOTOQJQBSA-N 1 2 438.525 -0.632 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000786994478 1073732386 /nfs/dbraw/zinc/73/23/86/1073732386.db2.gz CKVQBFYIFIBURQ-NVXWUHKLSA-N 1 2 438.525 -0.632 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000786994480 1073732520 /nfs/dbraw/zinc/73/25/20/1073732520.db2.gz CKVQBFYIFIBURQ-RDJZCZTQSA-N 1 2 438.525 -0.632 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000786994482 1073732334 /nfs/dbraw/zinc/73/23/34/1073732334.db2.gz CKVQBFYIFIBURQ-WBVHZDCISA-N 1 2 438.525 -0.632 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000786994613 1073732404 /nfs/dbraw/zinc/73/24/04/1073732404.db2.gz GZHBKOAAYPIHJQ-DOTOQJQBSA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000786994619 1073732397 /nfs/dbraw/zinc/73/23/97/1073732397.db2.gz GZHBKOAAYPIHJQ-NVXWUHKLSA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000786994621 1073732500 /nfs/dbraw/zinc/73/25/00/1073732500.db2.gz GZHBKOAAYPIHJQ-RDJZCZTQSA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000786994623 1073732286 /nfs/dbraw/zinc/73/22/86/1073732286.db2.gz GZHBKOAAYPIHJQ-WBVHZDCISA-N 1 2 438.525 -0.645 20 0 IBADLO COC[C@@H](C)NC(=O)NC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786996071 1073732440 /nfs/dbraw/zinc/73/24/40/1073732440.db2.gz KXEWBXOIAPOBJW-CABCVRRESA-N 1 2 428.486 -0.896 20 0 IBADLO COC[C@H](C)NC(=O)NC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786996072 1073732425 /nfs/dbraw/zinc/73/24/25/1073732425.db2.gz KXEWBXOIAPOBJW-GJZGRUSLSA-N 1 2 428.486 -0.896 20 0 IBADLO COC[C@@H](C)NC(=O)NC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786996073 1073732315 /nfs/dbraw/zinc/73/23/15/1073732315.db2.gz KXEWBXOIAPOBJW-HUUCEWRRSA-N 1 2 428.486 -0.896 20 0 IBADLO COC[C@H](C)NC(=O)NC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786996074 1073732562 /nfs/dbraw/zinc/73/25/62/1073732562.db2.gz KXEWBXOIAPOBJW-LSDHHAIUSA-N 1 2 428.486 -0.896 20 0 IBADLO CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000786997582 1073732323 /nfs/dbraw/zinc/73/23/23/1073732323.db2.gz IFEFFPZXHPSOEA-MSOLQXFVSA-N 1 2 438.525 -0.630 20 0 IBADLO CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000786997584 1073732460 /nfs/dbraw/zinc/73/24/60/1073732460.db2.gz IFEFFPZXHPSOEA-QZTJIDSGSA-N 1 2 438.525 -0.630 20 0 IBADLO CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000786997586 1073732299 /nfs/dbraw/zinc/73/22/99/1073732299.db2.gz IFEFFPZXHPSOEA-ROUUACIJSA-N 1 2 438.525 -0.630 20 0 IBADLO CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000786997589 1073732358 /nfs/dbraw/zinc/73/23/58/1073732358.db2.gz IFEFFPZXHPSOEA-ZWKOTPCHSA-N 1 2 438.525 -0.630 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1nnnn1CC1CCOCC1 ZINC000786998266 1073733059 /nfs/dbraw/zinc/73/30/59/1073733059.db2.gz JDOGKYNLYKRJRT-KRWDZBQOSA-N 1 2 436.513 -0.144 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1nnnn1CC1CCOCC1 ZINC000786998268 1073733098 /nfs/dbraw/zinc/73/30/98/1073733098.db2.gz JDOGKYNLYKRJRT-QGZVFWFLSA-N 1 2 436.513 -0.144 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000786998377 1073732378 /nfs/dbraw/zinc/73/23/78/1073732378.db2.gz KHCCBAUWDNSOIS-KRWDZBQOSA-N 1 2 439.509 -0.392 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000786998378 1073732970 /nfs/dbraw/zinc/73/29/70/1073732970.db2.gz KHCCBAUWDNSOIS-QGZVFWFLSA-N 1 2 439.509 -0.392 20 0 IBADLO COC(=O)C1CCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000786998758 1073732482 /nfs/dbraw/zinc/73/24/82/1073732482.db2.gz QNEAZCFATADVNX-KRWDZBQOSA-N 1 2 439.509 -0.346 20 0 IBADLO COC(=O)C1CCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000786998762 1073732346 /nfs/dbraw/zinc/73/23/46/1073732346.db2.gz QNEAZCFATADVNX-QGZVFWFLSA-N 1 2 439.509 -0.346 20 0 IBADLO O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)NCc1ccco1 ZINC000786999020 1073733042 /nfs/dbraw/zinc/73/30/42/1073733042.db2.gz MIAYIOQVMIJPBB-INIZCTEOSA-N 1 2 436.465 -0.138 20 0 IBADLO O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)NCc1ccco1 ZINC000786999022 1073732997 /nfs/dbraw/zinc/73/29/97/1073732997.db2.gz MIAYIOQVMIJPBB-MRXNPFEDSA-N 1 2 436.465 -0.138 20 0 IBADLO O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)NCC(F)(F)F ZINC000786999986 1073733184 /nfs/dbraw/zinc/73/31/84/1073733184.db2.gz PISFJDYLXVIGBR-GFCCVEGCSA-N 1 2 438.403 -0.369 20 0 IBADLO O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)NCC(F)(F)F ZINC000786999988 1073733132 /nfs/dbraw/zinc/73/31/32/1073733132.db2.gz PISFJDYLXVIGBR-LBPRGKRZSA-N 1 2 438.403 -0.369 20 0 IBADLO CC(C)(C)NC(=O)CNC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787000723 1073733021 /nfs/dbraw/zinc/73/30/21/1073733021.db2.gz PVILCYBBGDUMML-HNNXBMFYSA-N 1 2 426.514 -0.726 20 0 IBADLO CC(C)(C)NC(=O)CNC(=O)COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787000725 1073733085 /nfs/dbraw/zinc/73/30/85/1073733085.db2.gz PVILCYBBGDUMML-OAHLLOKOSA-N 1 2 426.514 -0.726 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000787002271 1073732953 /nfs/dbraw/zinc/73/29/53/1073732953.db2.gz VKPHKNAJTIMUOL-BBWFWOEESA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000787002272 1073732937 /nfs/dbraw/zinc/73/29/37/1073732937.db2.gz VKPHKNAJTIMUOL-GVDBMIGSSA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000787002274 1073733075 /nfs/dbraw/zinc/73/30/75/1073733075.db2.gz VKPHKNAJTIMUOL-ULQDDVLXSA-N 1 2 438.525 -0.645 20 0 IBADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000787002275 1073733207 /nfs/dbraw/zinc/73/32/07/1073733207.db2.gz VKPHKNAJTIMUOL-YESZJQIVSA-N 1 2 438.525 -0.645 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000787003555 1073733604 /nfs/dbraw/zinc/73/36/04/1073733604.db2.gz YGQDPILULRZPGG-AEFFLSMTSA-N 1 2 438.525 -0.678 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000787003556 1073733685 /nfs/dbraw/zinc/73/36/85/1073733685.db2.gz YGQDPILULRZPGG-FUHWJXTLSA-N 1 2 438.525 -0.678 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000787003557 1073733620 /nfs/dbraw/zinc/73/36/20/1073733620.db2.gz YGQDPILULRZPGG-SJLPKXTDSA-N 1 2 438.525 -0.678 20 0 IBADLO CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000787003558 1073733718 /nfs/dbraw/zinc/73/37/18/1073733718.db2.gz YGQDPILULRZPGG-WMZOPIPTSA-N 1 2 438.525 -0.678 20 0 IBADLO Cn1ccnc1[C@](O)(CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000787074280 1073736100 /nfs/dbraw/zinc/73/61/00/1073736100.db2.gz VEHJXGHBUMCYKU-KBXCAEBGSA-N 1 2 447.458 -0.001 20 0 IBADLO Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC000787074284 1073736152 /nfs/dbraw/zinc/73/61/52/1073736152.db2.gz VEHJXGHBUMCYKU-KDOFPFPSSA-N 1 2 447.458 -0.001 20 0 IBADLO Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000787074289 1073736052 /nfs/dbraw/zinc/73/60/52/1073736052.db2.gz VEHJXGHBUMCYKU-KSSFIOAISA-N 1 2 447.458 -0.001 20 0 IBADLO Cn1ccnc1[C@](O)(CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC000787074293 1073736119 /nfs/dbraw/zinc/73/61/19/1073736119.db2.gz VEHJXGHBUMCYKU-RDTXWAMCSA-N 1 2 447.458 -0.001 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000787081083 1073736530 /nfs/dbraw/zinc/73/65/30/1073736530.db2.gz WPDRSKFWSRIPSD-KRWDZBQOSA-N 1 2 435.447 -0.143 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000787081089 1073736752 /nfs/dbraw/zinc/73/67/52/1073736752.db2.gz WPDRSKFWSRIPSD-QGZVFWFLSA-N 1 2 435.447 -0.143 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787259771 1073741732 /nfs/dbraw/zinc/74/17/32/1073741732.db2.gz LZXCCSOIFLUKJR-UHFFFAOYSA-N 1 2 442.524 -0.319 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787259771 1073741727 /nfs/dbraw/zinc/74/17/27/1073741727.db2.gz LZXCCSOIFLUKJR-UHFFFAOYSA-N 1 2 442.524 -0.319 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000787410852 1073744073 /nfs/dbraw/zinc/74/40/73/1073744073.db2.gz DDXCVPNHHUXBTH-UHFFFAOYSA-N 1 2 429.481 -0.186 20 0 IBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000787469652 1073746125 /nfs/dbraw/zinc/74/61/25/1073746125.db2.gz PVAVGKRVAREXPP-INIZCTEOSA-N 1 2 441.554 -0.112 20 0 IBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000787469661 1073746231 /nfs/dbraw/zinc/74/62/31/1073746231.db2.gz PVAVGKRVAREXPP-MRXNPFEDSA-N 1 2 441.554 -0.112 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CC1 ZINC000787515536 1073746445 /nfs/dbraw/zinc/74/64/45/1073746445.db2.gz XLBKTRKKSQRMEE-UHFFFAOYSA-N 1 2 429.543 -0.255 20 0 IBADLO Cn1nnc(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787662397 1073753208 /nfs/dbraw/zinc/75/32/08/1073753208.db2.gz VQGCGZPJOASONE-UHFFFAOYSA-N 1 2 437.302 -0.021 20 0 IBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(n3cnc(C(N)=O)c3N)CC1)C2=O ZINC000787673695 1073752854 /nfs/dbraw/zinc/75/28/54/1073752854.db2.gz BPRCAGMGHSWZIL-UHFFFAOYSA-N 1 2 446.512 -0.267 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000787707671 1073753344 /nfs/dbraw/zinc/75/33/44/1073753344.db2.gz RDDOFQOYORGZDC-UHFFFAOYSA-N 1 2 435.591 -0.363 20 0 IBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000787800457 1073754877 /nfs/dbraw/zinc/75/48/77/1073754877.db2.gz WMPHOYGKEYIQMR-INIZCTEOSA-N 1 2 441.554 -0.255 20 0 IBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000787800459 1073754923 /nfs/dbraw/zinc/75/49/23/1073754923.db2.gz WMPHOYGKEYIQMR-MRXNPFEDSA-N 1 2 441.554 -0.255 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000787839324 1073755255 /nfs/dbraw/zinc/75/52/55/1073755255.db2.gz UZOVQUWGWNLFNT-KBPBESRZSA-N 1 2 429.481 -0.153 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000787839327 1073755411 /nfs/dbraw/zinc/75/54/11/1073755411.db2.gz UZOVQUWGWNLFNT-KGLIPLIRSA-N 1 2 429.481 -0.153 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000787839329 1073755334 /nfs/dbraw/zinc/75/53/34/1073755334.db2.gz UZOVQUWGWNLFNT-UONOGXRCSA-N 1 2 429.481 -0.153 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000787839331 1073755425 /nfs/dbraw/zinc/75/54/25/1073755425.db2.gz UZOVQUWGWNLFNT-ZIAGYGMSSA-N 1 2 429.481 -0.153 20 0 IBADLO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000787872379 1073755310 /nfs/dbraw/zinc/75/53/10/1073755310.db2.gz CKUVFVXTCCZFPB-UHFFFAOYSA-N 1 2 444.945 -0.382 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCn3ncnn3)cc2Br)CC1 ZINC000787892913 1073756077 /nfs/dbraw/zinc/75/60/77/1073756077.db2.gz ZLVGVTHEPQONCQ-UHFFFAOYSA-N 1 2 437.302 -0.058 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc2Br)CC1 ZINC000787893156 1073755906 /nfs/dbraw/zinc/75/59/06/1073755906.db2.gz POYQLNQHOWQXCL-UHFFFAOYSA-N 1 2 448.343 -0.456 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCO)cc2Br)CC1 ZINC000787895880 1073756976 /nfs/dbraw/zinc/75/69/76/1073756976.db2.gz NAGDKXOONIATHX-UHFFFAOYSA-N 1 2 429.315 -0.047 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2Br)CC1 ZINC000787897678 1073757036 /nfs/dbraw/zinc/75/70/36/1073757036.db2.gz DOZMNZNTXOHGKK-UHFFFAOYSA-N 1 2 442.314 -0.636 20 0 IBADLO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787901474 1073756875 /nfs/dbraw/zinc/75/68/75/1073756875.db2.gz OGJRDFBCKJGHOO-ZDUSSCGKSA-N 1 2 429.315 -0.049 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2Br)CC1 ZINC000787902638 1073757632 /nfs/dbraw/zinc/75/76/32/1073757632.db2.gz XWBJZBCVXARQJX-GASCZTMLSA-N 1 2 427.299 -0.297 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOCC(N)=O)cc2Br)CC1 ZINC000787903629 1073756011 /nfs/dbraw/zinc/75/60/11/1073756011.db2.gz XLNOPWSSZPLFRV-UHFFFAOYSA-N 1 2 442.314 -0.243 20 0 IBADLO C[C@@H](Cc1ccco1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000787964510 1073757559 /nfs/dbraw/zinc/75/75/59/1073757559.db2.gz UPUKRNZHPFJTBT-INIZCTEOSA-N 1 2 449.533 -0.010 20 0 IBADLO C[C@H](Cc1ccco1)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000787964512 1073757570 /nfs/dbraw/zinc/75/75/70/1073757570.db2.gz UPUKRNZHPFJTBT-MRXNPFEDSA-N 1 2 449.533 -0.010 20 0 IBADLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CO1 ZINC000788000034 1073759541 /nfs/dbraw/zinc/75/95/41/1073759541.db2.gz QCBYDIMYWWQCMG-UHFFFAOYSA-N 1 2 443.522 -0.250 20 0 IBADLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CO1 ZINC000788000273 1073759663 /nfs/dbraw/zinc/75/96/63/1073759663.db2.gz STXMBPJKADCPTG-UHFFFAOYSA-N 1 2 443.522 -0.250 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000788010796 1073761026 /nfs/dbraw/zinc/76/10/26/1073761026.db2.gz PZBGTENNSLMCNN-IBGZPJMESA-N 1 2 432.521 -0.037 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000788010804 1073761082 /nfs/dbraw/zinc/76/10/82/1073761082.db2.gz PZBGTENNSLMCNN-LJQANCHMSA-N 1 2 432.521 -0.037 20 0 IBADLO COC(=O)[C@]12CN(C(=O)C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]1COCC2 ZINC000788011033 1073761115 /nfs/dbraw/zinc/76/11/15/1073761115.db2.gz ULTIIMPNRGZYMK-FDDCHVKYSA-N 1 2 444.532 -0.037 20 0 IBADLO CSCC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000788049130 1073762219 /nfs/dbraw/zinc/76/22/19/1073762219.db2.gz DWWRKMWBSLMVJQ-HNNXBMFYSA-N 1 2 443.595 -0.093 20 0 IBADLO CSCC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000788049133 1073762402 /nfs/dbraw/zinc/76/24/02/1073762402.db2.gz DWWRKMWBSLMVJQ-OAHLLOKOSA-N 1 2 443.595 -0.093 20 0 IBADLO O=C(NCCOC1CCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000788049153 1073762415 /nfs/dbraw/zinc/76/24/15/1073762415.db2.gz FJGJNQVKVKLLHB-UHFFFAOYSA-N 1 2 439.538 -0.665 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCC=CO1 ZINC000788049720 1073761614 /nfs/dbraw/zinc/76/16/14/1073761614.db2.gz JUOXMSNIEYUHSJ-INIZCTEOSA-N 1 2 437.522 -0.542 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCC=CO1 ZINC000788049721 1073761632 /nfs/dbraw/zinc/76/16/32/1073761632.db2.gz JUOXMSNIEYUHSJ-MRXNPFEDSA-N 1 2 437.522 -0.542 20 0 IBADLO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc[nH]1 ZINC000788049722 1073761892 /nfs/dbraw/zinc/76/18/92/1073761892.db2.gz JWDFBPZRTDDDKH-HNNXBMFYSA-N 1 2 434.522 -0.145 20 0 IBADLO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc[nH]1 ZINC000788049723 1073761780 /nfs/dbraw/zinc/76/17/80/1073761780.db2.gz JWDFBPZRTDDDKH-OAHLLOKOSA-N 1 2 434.522 -0.145 20 0 IBADLO CCc1cc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000788050457 1073762280 /nfs/dbraw/zinc/76/22/80/1073762280.db2.gz YAWZJMUEIRSNJB-UHFFFAOYSA-N 1 2 449.537 -0.749 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000788155187 1073766575 /nfs/dbraw/zinc/76/65/75/1073766575.db2.gz CANLNIKRJIYTID-INIZCTEOSA-N 1 2 437.478 -0.180 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000788155189 1073766554 /nfs/dbraw/zinc/76/65/54/1073766554.db2.gz CANLNIKRJIYTID-MRXNPFEDSA-N 1 2 437.478 -0.180 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000788155915 1073766438 /nfs/dbraw/zinc/76/64/38/1073766438.db2.gz VTDYXFCSNZOFIE-GFCCVEGCSA-N 1 2 429.437 -0.455 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000788155917 1073766448 /nfs/dbraw/zinc/76/64/48/1073766448.db2.gz VTDYXFCSNZOFIE-LBPRGKRZSA-N 1 2 429.437 -0.455 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788280615 1073768221 /nfs/dbraw/zinc/76/82/21/1073768221.db2.gz PZVPNPZBEYBNKH-CVEARBPZSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788280623 1073768287 /nfs/dbraw/zinc/76/82/87/1073768287.db2.gz PZVPNPZBEYBNKH-HOTGVXAUSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788280624 1073768314 /nfs/dbraw/zinc/76/83/14/1073768314.db2.gz PZVPNPZBEYBNKH-HZPDHXFCSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788280625 1073768271 /nfs/dbraw/zinc/76/82/71/1073768271.db2.gz PZVPNPZBEYBNKH-JKSUJKDBSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788301820 1073767850 /nfs/dbraw/zinc/76/78/50/1073767850.db2.gz MMULWBYVWKSIFC-KRWDZBQOSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788301821 1073767794 /nfs/dbraw/zinc/76/77/94/1073767794.db2.gz MMULWBYVWKSIFC-QGZVFWFLSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788431008 1073770557 /nfs/dbraw/zinc/77/05/57/1073770557.db2.gz GEXPPDQXFWRPOY-INIZCTEOSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788431011 1073770519 /nfs/dbraw/zinc/77/05/19/1073770519.db2.gz GEXPPDQXFWRPOY-MRXNPFEDSA-N 1 2 428.530 -0.346 20 0 IBADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000788474032 1073771551 /nfs/dbraw/zinc/77/15/51/1073771551.db2.gz KMCXAEGXPHKJBX-IBGZPJMESA-N 1 2 437.522 -0.202 20 0 IBADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000788474032 1073771547 /nfs/dbraw/zinc/77/15/47/1073771547.db2.gz KMCXAEGXPHKJBX-IBGZPJMESA-N 1 2 437.522 -0.202 20 0 IBADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000788474036 1073771572 /nfs/dbraw/zinc/77/15/72/1073771572.db2.gz KMCXAEGXPHKJBX-LJQANCHMSA-N 1 2 437.522 -0.202 20 0 IBADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000788474036 1073771567 /nfs/dbraw/zinc/77/15/67/1073771567.db2.gz KMCXAEGXPHKJBX-LJQANCHMSA-N 1 2 437.522 -0.202 20 0 IBADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000789378172 1073779340 /nfs/dbraw/zinc/77/93/40/1073779340.db2.gz NPZMRTRCSYMTHK-UHFFFAOYSA-N 1 2 444.945 -0.382 20 0 IBADLO COc1nc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000789597216 1073782707 /nfs/dbraw/zinc/78/27/07/1073782707.db2.gz PYOPABTWXNVRFO-LLVKDONJSA-N 1 2 431.287 -0.057 20 0 IBADLO COc1nc(Br)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000789597227 1073782605 /nfs/dbraw/zinc/78/26/05/1073782605.db2.gz PYOPABTWXNVRFO-NSHDSACASA-N 1 2 431.287 -0.057 20 0 IBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1)CC2 ZINC000789601034 1073782636 /nfs/dbraw/zinc/78/26/36/1073782636.db2.gz KTCFPKSZZUHUMO-UHFFFAOYSA-N 1 2 425.858 -0.149 20 0 IBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000789755204 1073783819 /nfs/dbraw/zinc/78/38/19/1073783819.db2.gz WNTFMSGNNAAMPZ-AWEZNQCLSA-N 1 2 430.490 -0.319 20 0 IBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000789755205 1073783777 /nfs/dbraw/zinc/78/37/77/1073783777.db2.gz WNTFMSGNNAAMPZ-CQSZACIVSA-N 1 2 430.490 -0.319 20 0 IBADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000789959217 1073787720 /nfs/dbraw/zinc/78/77/20/1073787720.db2.gz HZTXILMKEHRAMX-DLBZAZTESA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000789959217 1073787714 /nfs/dbraw/zinc/78/77/14/1073787714.db2.gz HZTXILMKEHRAMX-DLBZAZTESA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000789959218 1073787804 /nfs/dbraw/zinc/78/78/04/1073787804.db2.gz HZTXILMKEHRAMX-IAGOWNOFSA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000789959218 1073787800 /nfs/dbraw/zinc/78/78/00/1073787800.db2.gz HZTXILMKEHRAMX-IAGOWNOFSA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000789959219 1073787823 /nfs/dbraw/zinc/78/78/23/1073787823.db2.gz HZTXILMKEHRAMX-IRXDYDNUSA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000789959219 1073787818 /nfs/dbraw/zinc/78/78/18/1073787818.db2.gz HZTXILMKEHRAMX-IRXDYDNUSA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000789959220 1073787765 /nfs/dbraw/zinc/78/77/65/1073787765.db2.gz HZTXILMKEHRAMX-SJORKVTESA-N 1 2 449.595 -0.709 20 0 IBADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000789959220 1073787759 /nfs/dbraw/zinc/78/77/59/1073787759.db2.gz HZTXILMKEHRAMX-SJORKVTESA-N 1 2 449.595 -0.709 20 0 IBADLO COC(=O)[C@H](CSCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)NC(C)=O ZINC000790002806 1073788217 /nfs/dbraw/zinc/78/82/17/1073788217.db2.gz IDOOEPOOKNQABF-AWEZNQCLSA-N 1 2 435.510 -0.577 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000790071486 1073789866 /nfs/dbraw/zinc/78/98/66/1073789866.db2.gz VNURLRAWCAFLMM-CABCVRRESA-N 1 2 439.513 -0.295 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000790071493 1073789961 /nfs/dbraw/zinc/78/99/61/1073789961.db2.gz VNURLRAWCAFLMM-GJZGRUSLSA-N 1 2 439.513 -0.295 20 0 IBADLO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000790071497 1073789974 /nfs/dbraw/zinc/78/99/74/1073789974.db2.gz VNURLRAWCAFLMM-HUUCEWRRSA-N 1 2 439.513 -0.295 20 0 IBADLO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)=NO1 ZINC000790071501 1073790036 /nfs/dbraw/zinc/79/00/36/1073790036.db2.gz VNURLRAWCAFLMM-LSDHHAIUSA-N 1 2 439.513 -0.295 20 0 IBADLO COc1cc(OC)c(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000790114378 1073790518 /nfs/dbraw/zinc/79/05/18/1073790518.db2.gz ZRGXLZNHZBIDGZ-AWEZNQCLSA-N 1 2 425.482 -0.520 20 0 IBADLO COc1cc(OC)c(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000790114394 1073790614 /nfs/dbraw/zinc/79/06/14/1073790614.db2.gz ZRGXLZNHZBIDGZ-CQSZACIVSA-N 1 2 425.482 -0.520 20 0 IBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1nnnn1C1CC1 ZINC000790177066 1073791166 /nfs/dbraw/zinc/79/11/66/1073791166.db2.gz YHEXNMMQMHMCRC-AWEZNQCLSA-N 1 2 449.541 -0.085 20 0 IBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1nnnn1C1CC1 ZINC000790177074 1073790976 /nfs/dbraw/zinc/79/09/76/1073790976.db2.gz YHEXNMMQMHMCRC-CQSZACIVSA-N 1 2 449.541 -0.085 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000790187051 1073791267 /nfs/dbraw/zinc/79/12/67/1073791267.db2.gz WIYNPFXKHKUMTL-AWEZNQCLSA-N 1 2 435.491 -0.097 20 0 IBADLO C[C@H](CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000790187062 1073791093 /nfs/dbraw/zinc/79/10/93/1073791093.db2.gz WIYNPFXKHKUMTL-CQSZACIVSA-N 1 2 435.491 -0.097 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790312793 1073794288 /nfs/dbraw/zinc/79/42/88/1073794288.db2.gz RTMRBWONMXDMCJ-UHFFFAOYSA-N 1 2 441.573 -0.164 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790326131 1073795216 /nfs/dbraw/zinc/79/52/16/1073795216.db2.gz PQCCQFHYURTAEL-UHFFFAOYSA-N 1 2 427.546 -0.554 20 0 IBADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000791107448 1073806834 /nfs/dbraw/zinc/80/68/34/1073806834.db2.gz FXYATFNDFKJZLL-UHFFFAOYSA-N 1 2 438.466 -0.832 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791325514 1073808973 /nfs/dbraw/zinc/80/89/73/1073808973.db2.gz SUQQTYRRTILDOQ-INIZCTEOSA-N 1 2 437.928 -0.016 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791325514 1073808961 /nfs/dbraw/zinc/80/89/61/1073808961.db2.gz SUQQTYRRTILDOQ-INIZCTEOSA-N 1 2 437.928 -0.016 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791325526 1073809149 /nfs/dbraw/zinc/80/91/49/1073809149.db2.gz SUQQTYRRTILDOQ-MRXNPFEDSA-N 1 2 437.928 -0.016 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791325526 1073809136 /nfs/dbraw/zinc/80/91/36/1073809136.db2.gz SUQQTYRRTILDOQ-MRXNPFEDSA-N 1 2 437.928 -0.016 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000791378867 1073809099 /nfs/dbraw/zinc/80/90/99/1073809099.db2.gz COUNIDCYFAEZPI-BBRMVZONSA-N 1 2 426.901 -0.535 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000791378871 1073809206 /nfs/dbraw/zinc/80/92/06/1073809206.db2.gz COUNIDCYFAEZPI-CJNGLKHVSA-N 1 2 426.901 -0.535 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000791378875 1073808800 /nfs/dbraw/zinc/80/88/00/1073808800.db2.gz COUNIDCYFAEZPI-CZUORRHYSA-N 1 2 426.901 -0.535 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000791378878 1073808830 /nfs/dbraw/zinc/80/88/30/1073808830.db2.gz COUNIDCYFAEZPI-XJKSGUPXSA-N 1 2 426.901 -0.535 20 0 IBADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000792252212 1073815207 /nfs/dbraw/zinc/81/52/07/1073815207.db2.gz ZSJJBXYTOXYWNX-HNNXBMFYSA-N 1 2 448.590 -0.281 20 0 IBADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000792252213 1073815226 /nfs/dbraw/zinc/81/52/26/1073815226.db2.gz ZSJJBXYTOXYWNX-OAHLLOKOSA-N 1 2 448.590 -0.281 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2nnnn2C2CC2)CC1 ZINC000792471462 1073816582 /nfs/dbraw/zinc/81/65/82/1073816582.db2.gz XJVMXSGCHJJZIH-GFCCVEGCSA-N 1 2 438.514 -0.203 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2nnnn2C2CC2)CC1 ZINC000792471465 1073816635 /nfs/dbraw/zinc/81/66/35/1073816635.db2.gz XJVMXSGCHJJZIH-LBPRGKRZSA-N 1 2 438.514 -0.203 20 0 IBADLO Cn1nccc1COCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000792489044 1073816876 /nfs/dbraw/zinc/81/68/76/1073816876.db2.gz NVZQQXTXQUFFOX-UHFFFAOYSA-N 1 2 428.453 -0.495 20 0 IBADLO O=S(=O)(C[C@H]1CCCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000792749401 1073820872 /nfs/dbraw/zinc/82/08/72/1073820872.db2.gz HBOBJZHLZUMAPA-INIZCTEOSA-N 1 2 432.568 -0.121 20 0 IBADLO O=S(=O)(C[C@@H]1CCCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000792749405 1073820967 /nfs/dbraw/zinc/82/09/67/1073820967.db2.gz HBOBJZHLZUMAPA-MRXNPFEDSA-N 1 2 432.568 -0.121 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(F)n1 ZINC000792955132 1073822161 /nfs/dbraw/zinc/82/21/61/1073822161.db2.gz RSVWQGIVHLCDDH-UHFFFAOYSA-N 1 2 436.469 -0.178 20 0 IBADLO CCCN1C(=O)CC[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)[C@@H]1c1c[nH+]cn1C ZINC000793303894 1073824378 /nfs/dbraw/zinc/82/43/78/1073824378.db2.gz MJOFZNWLFKDOGA-CRAIPNDOSA-N 1 2 441.554 -0.112 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000793486325 1073825119 /nfs/dbraw/zinc/82/51/19/1073825119.db2.gz VOMGYLFEWUZZFN-KRWDZBQOSA-N 1 2 440.508 -0.453 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000793486325 1073825107 /nfs/dbraw/zinc/82/51/07/1073825107.db2.gz VOMGYLFEWUZZFN-KRWDZBQOSA-N 1 2 440.508 -0.453 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000793486347 1073825009 /nfs/dbraw/zinc/82/50/09/1073825009.db2.gz VOMGYLFEWUZZFN-QGZVFWFLSA-N 1 2 440.508 -0.453 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000793486347 1073824999 /nfs/dbraw/zinc/82/49/99/1073824999.db2.gz VOMGYLFEWUZZFN-QGZVFWFLSA-N 1 2 440.508 -0.453 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000793497148 1073825807 /nfs/dbraw/zinc/82/58/07/1073825807.db2.gz IWFFKDMTGGABQT-UHFFFAOYSA-N 1 2 426.481 -0.889 20 0 IBADLO O=C(NCCc1cnccn1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000793497148 1073825798 /nfs/dbraw/zinc/82/57/98/1073825798.db2.gz IWFFKDMTGGABQT-UHFFFAOYSA-N 1 2 426.481 -0.889 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000793726093 1073830075 /nfs/dbraw/zinc/83/00/75/1073830075.db2.gz NGHHPBQNKJLYMP-UHFFFAOYSA-N 1 2 436.513 -0.025 20 0 IBADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000793741911 1073832420 /nfs/dbraw/zinc/83/24/20/1073832420.db2.gz GTJLQRCOSZJEBQ-UHFFFAOYSA-N 1 2 434.522 -0.818 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C ZINC000793742532 1073832942 /nfs/dbraw/zinc/83/29/42/1073832942.db2.gz KNHAZDJQMLWXKT-UHFFFAOYSA-N 1 2 427.527 -0.983 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000793760708 1073830406 /nfs/dbraw/zinc/83/04/06/1073830406.db2.gz KQBIQPANYBUGCU-UHFFFAOYSA-N 1 2 430.571 -0.433 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000793824873 1073836376 /nfs/dbraw/zinc/83/63/76/1073836376.db2.gz FLSWSTFYOCEFRV-AWEZNQCLSA-N 1 2 434.497 -0.490 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000793824874 1073836531 /nfs/dbraw/zinc/83/65/31/1073836531.db2.gz FLSWSTFYOCEFRV-CQSZACIVSA-N 1 2 434.497 -0.490 20 0 IBADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793826959 1073838143 /nfs/dbraw/zinc/83/81/43/1073838143.db2.gz NXSYJZSBAVVSGP-HNNXBMFYSA-N 1 2 448.524 -0.069 20 0 IBADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793826969 1073838183 /nfs/dbraw/zinc/83/81/83/1073838183.db2.gz NXSYJZSBAVVSGP-OAHLLOKOSA-N 1 2 448.524 -0.069 20 0 IBADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793832167 1073840780 /nfs/dbraw/zinc/84/07/80/1073840780.db2.gz XJYMNGNATYMUHQ-UHFFFAOYSA-N 1 2 436.513 -0.073 20 0 IBADLO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000793849240 1073840617 /nfs/dbraw/zinc/84/06/17/1073840617.db2.gz MIOVPYHQAJDDGN-HNNXBMFYSA-N 1 2 443.595 -0.130 20 0 IBADLO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000793849261 1073840526 /nfs/dbraw/zinc/84/05/26/1073840526.db2.gz MIOVPYHQAJDDGN-OAHLLOKOSA-N 1 2 443.595 -0.130 20 0 IBADLO COc1ccc(CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000793865969 1073841351 /nfs/dbraw/zinc/84/13/51/1073841351.db2.gz YKAPEKCPLGQRFX-UHFFFAOYSA-N 1 2 441.550 -0.012 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000793925482 1073841882 /nfs/dbraw/zinc/84/18/82/1073841882.db2.gz IKJMVNFTXBYNFE-IBGZPJMESA-N 1 2 432.521 -0.029 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000793925487 1073841922 /nfs/dbraw/zinc/84/19/22/1073841922.db2.gz IKJMVNFTXBYNFE-LJQANCHMSA-N 1 2 432.521 -0.029 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000794278583 1073843740 /nfs/dbraw/zinc/84/37/40/1073843740.db2.gz JWGUHBNJYAXWHG-INIZCTEOSA-N 1 2 435.591 -0.628 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000794278584 1073843719 /nfs/dbraw/zinc/84/37/19/1073843719.db2.gz JWGUHBNJYAXWHG-MRXNPFEDSA-N 1 2 435.591 -0.628 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)c3cccnc3S2(=O)=O)CC1 ZINC000794434730 1074397426 /nfs/dbraw/zinc/39/74/26/1074397426.db2.gz URVOEGQJIZWTTQ-UHFFFAOYSA-N 1 2 442.461 -0.748 20 0 IBADLO Cc1cc(-c2nnn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)n2)ccc1F ZINC000794621708 1074453674 /nfs/dbraw/zinc/45/36/74/1074453674.db2.gz XUYCHPKRPDBKKN-UHFFFAOYSA-N 1 2 438.533 -0.145 20 0 IBADLO COCCN(C(=O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000794952895 1074458516 /nfs/dbraw/zinc/45/85/16/1074458516.db2.gz MMVQQIBYJNYJEA-NHAGDIPZSA-N 1 2 437.497 -0.483 20 0 IBADLO COCCN(C(=O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000794952895 1074458510 /nfs/dbraw/zinc/45/85/10/1074458510.db2.gz MMVQQIBYJNYJEA-NHAGDIPZSA-N 1 2 437.497 -0.483 20 0 IBADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]21 ZINC000794991924 1074459767 /nfs/dbraw/zinc/45/97/67/1074459767.db2.gz PASNXWXIFDFPJK-MNZLEMJZSA-N 1 2 437.518 -0.326 20 0 IBADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]21 ZINC000794991924 1074459760 /nfs/dbraw/zinc/45/97/60/1074459760.db2.gz PASNXWXIFDFPJK-MNZLEMJZSA-N 1 2 437.518 -0.326 20 0 IBADLO O=C(CCc1cccc(CCC(=O)N2CC[NH+](CCO)CC2)c1)N1CCN(CCO)CC1 ZINC000795116145 1074461986 /nfs/dbraw/zinc/46/19/86/1074461986.db2.gz OAEBMXBBRAQTJT-UHFFFAOYSA-N 1 2 446.592 -0.175 20 0 IBADLO C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000795172084 1074464677 /nfs/dbraw/zinc/46/46/77/1074464677.db2.gz JOMHQLAFOYJXLE-HNNXBMFYSA-N 1 2 433.575 -0.216 20 0 IBADLO C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000795172086 1074464791 /nfs/dbraw/zinc/46/47/91/1074464791.db2.gz JOMHQLAFOYJXLE-OAHLLOKOSA-N 1 2 433.575 -0.216 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cnn3c2OCCC3)CC1 ZINC000795745723 1072628262 /nfs/dbraw/zinc/62/82/62/1072628262.db2.gz JJLHFVMGIXFUKO-UHFFFAOYSA-N 1 2 426.437 -0.152 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000795864483 1072629822 /nfs/dbraw/zinc/62/98/22/1072629822.db2.gz QMAUMKRMBYYJLJ-UHFFFAOYSA-N 1 2 437.541 -0.121 20 0 IBADLO Cn1cc(C(=O)CCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000796158952 1072633514 /nfs/dbraw/zinc/63/35/14/1072633514.db2.gz ROMZAZVNCHRVQB-UHFFFAOYSA-N 1 2 440.464 -0.048 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(S(C)(=O)=O)CCC2)CC1 ZINC000796192390 1072635151 /nfs/dbraw/zinc/63/51/51/1072635151.db2.gz JHYGOUFWZNXBEX-UHFFFAOYSA-N 1 2 436.494 -0.478 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000796334134 1072646021 /nfs/dbraw/zinc/64/60/21/1072646021.db2.gz NHJILRMNCCDUAF-UHFFFAOYSA-N 1 2 443.551 -0.534 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCn2cnccc2=O)CC1 ZINC000796336754 1072645994 /nfs/dbraw/zinc/64/59/94/1072645994.db2.gz IOGXPIFROWEIDG-UHFFFAOYSA-N 1 2 426.437 -0.798 20 0 IBADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[nH]1 ZINC000796370645 1072647428 /nfs/dbraw/zinc/64/74/28/1072647428.db2.gz ZCTCFYTVPQVBJD-UHFFFAOYSA-N 1 2 427.421 -0.016 20 0 IBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000796568333 1072653496 /nfs/dbraw/zinc/65/34/96/1072653496.db2.gz ANIPCFQGBHXJCJ-UHFFFAOYSA-N 1 2 433.571 -0.344 20 0 IBADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000797090303 1073002650 /nfs/dbraw/zinc/00/26/50/1073002650.db2.gz KZUMFJKPQJLSTN-HNNXBMFYSA-N 1 2 433.575 -0.170 20 0 IBADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000797090303 1073002639 /nfs/dbraw/zinc/00/26/39/1073002639.db2.gz KZUMFJKPQJLSTN-HNNXBMFYSA-N 1 2 433.575 -0.170 20 0 IBADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000797090305 1073002626 /nfs/dbraw/zinc/00/26/26/1073002626.db2.gz KZUMFJKPQJLSTN-OAHLLOKOSA-N 1 2 433.575 -0.170 20 0 IBADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000797090305 1073002618 /nfs/dbraw/zinc/00/26/18/1073002618.db2.gz KZUMFJKPQJLSTN-OAHLLOKOSA-N 1 2 433.575 -0.170 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CO)cc2Br)CC1 ZINC000797377378 1073006129 /nfs/dbraw/zinc/00/61/29/1073006129.db2.gz DPUOLULXHUJJMY-KRWDZBQOSA-N 1 2 429.315 -0.001 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CO)cc2Br)CC1 ZINC000797377379 1073006206 /nfs/dbraw/zinc/00/62/06/1073006206.db2.gz DPUOLULXHUJJMY-QGZVFWFLSA-N 1 2 429.315 -0.001 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC000797654226 1073007997 /nfs/dbraw/zinc/00/79/97/1073007997.db2.gz WKPYCJVCCNJDNM-UHFFFAOYSA-N 1 2 433.556 -0.038 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1Cl ZINC000798327659 1073012235 /nfs/dbraw/zinc/01/22/35/1073012235.db2.gz MZHGHAYVKNMQPQ-CYBMUJFWSA-N 1 2 430.914 -0.350 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1Cl ZINC000798327660 1073012281 /nfs/dbraw/zinc/01/22/81/1073012281.db2.gz MZHGHAYVKNMQPQ-ZDUSSCGKSA-N 1 2 430.914 -0.350 20 0 IBADLO COc1ccccc1CONC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000798536732 1073012838 /nfs/dbraw/zinc/01/28/38/1073012838.db2.gz QNRWKJBZPFLQPK-UHFFFAOYSA-N 1 2 427.527 -0.054 20 0 IBADLO COc1coc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1=O ZINC000798677244 1073013897 /nfs/dbraw/zinc/01/38/97/1073013897.db2.gz WXHIPUJVVDUHLP-UHFFFAOYSA-N 1 2 428.405 -0.169 20 0 IBADLO CO[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1cnn(C)c1 ZINC000798772309 1073014463 /nfs/dbraw/zinc/01/44/63/1073014463.db2.gz BMKFLCJTBMIXHL-INIZCTEOSA-N 1 2 428.453 -0.324 20 0 IBADLO CO[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1cnn(C)c1 ZINC000798772311 1073014332 /nfs/dbraw/zinc/01/43/32/1073014332.db2.gz BMKFLCJTBMIXHL-MRXNPFEDSA-N 1 2 428.453 -0.324 20 0 IBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000799103169 1073016919 /nfs/dbraw/zinc/01/69/19/1073016919.db2.gz CIMYFLSWEFEBRA-UHFFFAOYSA-N 1 2 433.534 -0.066 20 0 IBADLO CC(C)[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000799134593 1073017066 /nfs/dbraw/zinc/01/70/66/1073017066.db2.gz YXOONVAFOMVXCH-IBGZPJMESA-N 1 2 442.586 -0.590 20 0 IBADLO CC(C)[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000799134598 1073017391 /nfs/dbraw/zinc/01/73/91/1073017391.db2.gz YXOONVAFOMVXCH-LJQANCHMSA-N 1 2 442.586 -0.590 20 0 IBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(=O)[nH]c1=O ZINC000799174517 1073017557 /nfs/dbraw/zinc/01/75/57/1073017557.db2.gz OVYCJMKVYWSBFS-UHFFFAOYSA-N 1 2 435.403 -0.249 20 0 IBADLO O=C1N[C@H]2CCN(CCS(=O)(=O)CC[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179602 1073017922 /nfs/dbraw/zinc/01/79/22/1073017922.db2.gz QEZQEMPKUDMQHF-WCVJEAGWSA-N 1 2 430.527 -0.738 20 0 IBADLO O=C1N[C@H]2CCN(CCS(=O)(=O)CC[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179602 1073017917 /nfs/dbraw/zinc/01/79/17/1073017917.db2.gz QEZQEMPKUDMQHF-WCVJEAGWSA-N 1 2 430.527 -0.738 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)c1 ZINC000799180175 1073018217 /nfs/dbraw/zinc/01/82/17/1073018217.db2.gz QFJUFIBLKQSZCU-RAJNIJHNSA-N 1 2 431.449 -0.076 20 0 IBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)c1 ZINC000799180175 1073018211 /nfs/dbraw/zinc/01/82/11/1073018211.db2.gz QFJUFIBLKQSZCU-RAJNIJHNSA-N 1 2 431.449 -0.076 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)c1 ZINC000799180176 1073017896 /nfs/dbraw/zinc/01/78/96/1073017896.db2.gz QFJUFIBLKQSZCU-UFAGZECESA-N 1 2 431.449 -0.076 20 0 IBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)c1 ZINC000799180176 1073017886 /nfs/dbraw/zinc/01/78/86/1073017886.db2.gz QFJUFIBLKQSZCU-UFAGZECESA-N 1 2 431.449 -0.076 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000799180378 1073018194 /nfs/dbraw/zinc/01/81/94/1073018194.db2.gz XTRASDSPBZVZOS-CABCVRRESA-N 1 2 427.461 -0.210 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000799180378 1073018183 /nfs/dbraw/zinc/01/81/83/1073018183.db2.gz XTRASDSPBZVZOS-CABCVRRESA-N 1 2 427.461 -0.210 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)cc1 ZINC000799181095 1073018097 /nfs/dbraw/zinc/01/80/97/1073018097.db2.gz YFZFINWYTHHLLG-RAJNIJHNSA-N 1 2 431.449 -0.076 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)cc1 ZINC000799181095 1073018090 /nfs/dbraw/zinc/01/80/90/1073018090.db2.gz YFZFINWYTHHLLG-RAJNIJHNSA-N 1 2 431.449 -0.076 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)cc1 ZINC000799181096 1073018244 /nfs/dbraw/zinc/01/82/44/1073018244.db2.gz YFZFINWYTHHLLG-UFAGZECESA-N 1 2 431.449 -0.076 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)cc1 ZINC000799181096 1073018234 /nfs/dbraw/zinc/01/82/34/1073018234.db2.gz YFZFINWYTHHLLG-UFAGZECESA-N 1 2 431.449 -0.076 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000799271881 1073018520 /nfs/dbraw/zinc/01/85/20/1073018520.db2.gz OWEXWUZGESLNBZ-ZBFHGGJFSA-N 1 2 429.477 -0.030 20 0 IBADLO CC(C)C1(C(C)C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000799566785 1073020235 /nfs/dbraw/zinc/02/02/35/1073020235.db2.gz ZEWHSGAOFMGPJO-UHFFFAOYSA-N 1 2 444.602 -0.344 20 0 IBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000800595264 1072662740 /nfs/dbraw/zinc/66/27/40/1072662740.db2.gz WPRQUVDWFMMVBL-UHFFFAOYSA-N 1 2 439.538 -0.207 20 0 IBADLO O=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800681876 1072664941 /nfs/dbraw/zinc/66/49/41/1072664941.db2.gz CHHRYFAXKWACHN-IBGZPJMESA-N 1 2 437.562 -0.059 20 0 IBADLO O=C(NCCS(=O)(=O)CCc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800681878 1072664906 /nfs/dbraw/zinc/66/49/06/1072664906.db2.gz CHHRYFAXKWACHN-LJQANCHMSA-N 1 2 437.562 -0.059 20 0 IBADLO Cc1nn(C)c(Br)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000801087365 1072668910 /nfs/dbraw/zinc/66/89/10/1072668910.db2.gz XKUSEBXOUOCCRT-UHFFFAOYSA-N 1 2 449.375 -0.259 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[NH+](CCO)CC3)ccc2F)CC1 ZINC000801130139 1072669151 /nfs/dbraw/zinc/66/91/51/1072669151.db2.gz VWYBLNSERAWZGG-UHFFFAOYSA-N 1 2 442.513 -0.571 20 0 IBADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000801159596 1072670944 /nfs/dbraw/zinc/67/09/44/1072670944.db2.gz RVDJOKFLAWRTSN-HNNXBMFYSA-N 1 2 442.513 -0.261 20 0 IBADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000801159597 1072670889 /nfs/dbraw/zinc/67/08/89/1072670889.db2.gz RVDJOKFLAWRTSN-OAHLLOKOSA-N 1 2 442.513 -0.261 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000801166623 1072671308 /nfs/dbraw/zinc/67/13/08/1072671308.db2.gz KJVANPLDNVULCC-INIZCTEOSA-N 1 2 445.513 -0.388 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000801166624 1072671305 /nfs/dbraw/zinc/67/13/05/1072671305.db2.gz KJVANPLDNVULCC-MRXNPFEDSA-N 1 2 445.513 -0.388 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccnc3c2nnn3C)CC1 ZINC000801496999 1072677990 /nfs/dbraw/zinc/67/79/90/1072677990.db2.gz KEIBHVKDLIQBJC-UHFFFAOYSA-N 1 2 436.436 -0.454 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000801750221 1072680293 /nfs/dbraw/zinc/68/02/93/1072680293.db2.gz MWDMIRQAFVGFQC-UHFFFAOYSA-N 1 2 436.600 -0.295 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cncc(-n3ccnn3)c2)CC1 ZINC000801889228 1072680916 /nfs/dbraw/zinc/68/09/16/1072680916.db2.gz RELXNUBEPZMAER-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO CCC[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000802726016 1072690159 /nfs/dbraw/zinc/69/01/59/1072690159.db2.gz PXFFORPFOCIOQS-IBGZPJMESA-N 1 2 442.586 -0.446 20 0 IBADLO CCC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000802726017 1072690173 /nfs/dbraw/zinc/69/01/73/1072690173.db2.gz PXFFORPFOCIOQS-LJQANCHMSA-N 1 2 442.586 -0.446 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000803136709 1072695620 /nfs/dbraw/zinc/69/56/20/1072695620.db2.gz KLHAHEXBJQDJBL-DLBZAZTESA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000803136710 1072695633 /nfs/dbraw/zinc/69/56/33/1072695633.db2.gz KLHAHEXBJQDJBL-IAGOWNOFSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000803136711 1072695614 /nfs/dbraw/zinc/69/56/14/1072695614.db2.gz KLHAHEXBJQDJBL-IRXDYDNUSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000803136712 1072695585 /nfs/dbraw/zinc/69/55/85/1072695585.db2.gz KLHAHEXBJQDJBL-SJORKVTESA-N 1 2 442.557 -0.099 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000803217122 1072698325 /nfs/dbraw/zinc/69/83/25/1072698325.db2.gz TXBCOIIOVRMTJU-UHFFFAOYSA-N 1 2 427.523 -0.483 20 0 IBADLO CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000803217538 1072698115 /nfs/dbraw/zinc/69/81/15/1072698115.db2.gz YWSJYUMTLCGYSJ-UHFFFAOYSA-N 1 2 427.523 -0.483 20 0 IBADLO O=C(CN1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1)N1CCOCC1 ZINC000803346890 1072699430 /nfs/dbraw/zinc/69/94/30/1072699430.db2.gz CQLWYCKBDNNVSK-UHFFFAOYSA-N 1 2 440.504 -0.509 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803346930 1072699555 /nfs/dbraw/zinc/69/95/55/1072699555.db2.gz DXHFFBKHWGWESV-UHFFFAOYSA-N 1 2 437.547 -0.017 20 0 IBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803348077 1072699506 /nfs/dbraw/zinc/69/95/06/1072699506.db2.gz GPLCSAFWXWKHDK-UHFFFAOYSA-N 1 2 432.462 -0.288 20 0 IBADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000803350128 1072699469 /nfs/dbraw/zinc/69/94/69/1072699469.db2.gz YIXVORZMCHBZAS-UHFFFAOYSA-N 1 2 440.504 -0.509 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000803580935 1072703019 /nfs/dbraw/zinc/70/30/19/1072703019.db2.gz SQOAIXPDXDGRHD-CRAIPNDOSA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000803580938 1072703096 /nfs/dbraw/zinc/70/30/96/1072703096.db2.gz SQOAIXPDXDGRHD-MAUKXSAKSA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000803580940 1072703069 /nfs/dbraw/zinc/70/30/69/1072703069.db2.gz SQOAIXPDXDGRHD-QAPCUYQASA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000803580941 1072703041 /nfs/dbraw/zinc/70/30/41/1072703041.db2.gz SQOAIXPDXDGRHD-YJBOKZPZSA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000803592383 1072702993 /nfs/dbraw/zinc/70/29/93/1072702993.db2.gz GUJJNILCUUJQQI-CRAIPNDOSA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000803592385 1072703007 /nfs/dbraw/zinc/70/30/07/1072703007.db2.gz GUJJNILCUUJQQI-MAUKXSAKSA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000803592387 1072703103 /nfs/dbraw/zinc/70/31/03/1072703103.db2.gz GUJJNILCUUJQQI-QAPCUYQASA-N 1 2 434.493 -0.028 20 0 IBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000803592389 1072702929 /nfs/dbraw/zinc/70/29/29/1072702929.db2.gz GUJJNILCUUJQQI-YJBOKZPZSA-N 1 2 434.493 -0.028 20 0 IBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)C2)CC1 ZINC000803627610 1072703056 /nfs/dbraw/zinc/70/30/56/1072703056.db2.gz QSNQVVKTWQERTD-AWEZNQCLSA-N 1 2 442.542 -0.316 20 0 IBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)C2)CC1 ZINC000803627611 1072703108 /nfs/dbraw/zinc/70/31/08/1072703108.db2.gz QSNQVVKTWQERTD-CQSZACIVSA-N 1 2 442.542 -0.316 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1C ZINC000803668282 1072703949 /nfs/dbraw/zinc/70/39/49/1072703949.db2.gz KLPDIRRYPBVURN-UHFFFAOYSA-N 1 2 425.467 -0.453 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1C ZINC000803668286 1072703986 /nfs/dbraw/zinc/70/39/86/1072703986.db2.gz KPRCFSWNVFISRK-UHFFFAOYSA-N 1 2 430.552 -0.182 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1C ZINC000803669215 1072703891 /nfs/dbraw/zinc/70/38/91/1072703891.db2.gz JVUBAXUPVLUDMP-UHFFFAOYSA-N 1 2 433.509 -0.674 20 0 IBADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C ZINC000803671797 1072703903 /nfs/dbraw/zinc/70/39/03/1072703903.db2.gz KXYNXYXDVHHIGL-UHFFFAOYSA-N 1 2 433.509 -0.674 20 0 IBADLO CC(C)NC(=O)CN(C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000803696164 1072704656 /nfs/dbraw/zinc/70/46/56/1072704656.db2.gz GGFGPWUAHSJKMZ-UHFFFAOYSA-N 1 2 446.512 -0.989 20 0 IBADLO Cc1nnc(COCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000803726404 1072705130 /nfs/dbraw/zinc/70/51/30/1072705130.db2.gz GLPZOYYSZQBMBI-UHFFFAOYSA-N 1 2 446.493 -0.068 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccoc2CC(N)=O)CC1 ZINC000803944015 1072710730 /nfs/dbraw/zinc/71/07/30/1072710730.db2.gz OJQYXMSQQPFSCM-UHFFFAOYSA-N 1 2 427.421 -0.510 20 0 IBADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000804009909 1072711820 /nfs/dbraw/zinc/71/18/20/1072711820.db2.gz CMWMMSBVFPYKPO-INIZCTEOSA-N 1 2 446.508 -0.417 20 0 IBADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000804009910 1072711803 /nfs/dbraw/zinc/71/18/03/1072711803.db2.gz CMWMMSBVFPYKPO-MRXNPFEDSA-N 1 2 446.508 -0.417 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000804015483 1072811357 /nfs/dbraw/zinc/81/13/57/1072811357.db2.gz BHBQUQTWXHTNPN-INIZCTEOSA-N 1 2 425.530 -0.264 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000804015483 1072811348 /nfs/dbraw/zinc/81/13/48/1072811348.db2.gz BHBQUQTWXHTNPN-INIZCTEOSA-N 1 2 425.530 -0.264 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000804015484 1072811542 /nfs/dbraw/zinc/81/15/42/1072811542.db2.gz BHBQUQTWXHTNPN-MRXNPFEDSA-N 1 2 425.530 -0.264 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000804015484 1072811530 /nfs/dbraw/zinc/81/15/30/1072811530.db2.gz BHBQUQTWXHTNPN-MRXNPFEDSA-N 1 2 425.530 -0.264 20 0 IBADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000804016647 1072811318 /nfs/dbraw/zinc/81/13/18/1072811318.db2.gz HGUWGOYXQBQSFW-CYBMUJFWSA-N 1 2 430.469 -0.641 20 0 IBADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000804016648 1072811568 /nfs/dbraw/zinc/81/15/68/1072811568.db2.gz HGUWGOYXQBQSFW-ZDUSSCGKSA-N 1 2 430.469 -0.641 20 0 IBADLO COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804034686 1072812758 /nfs/dbraw/zinc/81/27/58/1072812758.db2.gz ZFZMHVKLRWDCMM-UHFFFAOYSA-N 1 2 426.539 -0.052 20 0 IBADLO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000804048201 1072813962 /nfs/dbraw/zinc/81/39/62/1072813962.db2.gz NDTSPRJQMSKQHJ-CYBMUJFWSA-N 1 2 434.559 -0.359 20 0 IBADLO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000804048202 1072813799 /nfs/dbraw/zinc/81/37/99/1072813799.db2.gz NDTSPRJQMSKQHJ-ZDUSSCGKSA-N 1 2 434.559 -0.359 20 0 IBADLO O=C(NCCOc1cccnc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000804071668 1072823131 /nfs/dbraw/zinc/82/31/31/1072823131.db2.gz HBOPPFXXTMCQPD-UHFFFAOYSA-N 1 2 441.492 -0.448 20 0 IBADLO O=C(NCCOc1cccnc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000804071668 1072823120 /nfs/dbraw/zinc/82/31/20/1072823120.db2.gz HBOPPFXXTMCQPD-UHFFFAOYSA-N 1 2 441.492 -0.448 20 0 IBADLO O=C(CCNC(=O)C(=O)NCCOc1cccnc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804074278 1072826745 /nfs/dbraw/zinc/82/67/45/1072826745.db2.gz SAJMARJUHNIMJI-UHFFFAOYSA-N 1 2 426.477 -0.173 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080259 1073288343 /nfs/dbraw/zinc/28/83/43/1073288343.db2.gz BOVLENWFHBTMEO-KRWDZBQOSA-N 1 2 445.520 -0.010 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080260 1073288394 /nfs/dbraw/zinc/28/83/94/1073288394.db2.gz BOVLENWFHBTMEO-QGZVFWFLSA-N 1 2 445.520 -0.010 20 0 IBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080270 1073288964 /nfs/dbraw/zinc/28/89/64/1073288964.db2.gz BXHAPRBDXBRKDR-UHFFFAOYSA-N 1 2 439.538 -0.870 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC2(CC1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080305 1073288755 /nfs/dbraw/zinc/28/87/55/1073288755.db2.gz CPBAXFJULFPDCE-UHFFFAOYSA-N 1 2 431.493 -0.398 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080464 1073288449 /nfs/dbraw/zinc/28/84/49/1073288449.db2.gz DUEWGSSRQSRDIG-KRWDZBQOSA-N 1 2 445.520 -0.152 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080466 1073288322 /nfs/dbraw/zinc/28/83/22/1073288322.db2.gz DUEWGSSRQSRDIG-QGZVFWFLSA-N 1 2 445.520 -0.152 20 0 IBADLO CC(C)(C)[S@@](=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081111 1073288883 /nfs/dbraw/zinc/28/88/83/1073288883.db2.gz GXLGYSFBZZBJGR-PMERELPUSA-N 1 2 437.566 -0.100 20 0 IBADLO CC(C)(C)[S@](=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081112 1073288830 /nfs/dbraw/zinc/28/88/30/1073288830.db2.gz GXLGYSFBZZBJGR-SSEXGKCCSA-N 1 2 437.566 -0.100 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000804081178 1073288907 /nfs/dbraw/zinc/28/89/07/1073288907.db2.gz IOHYJEZJGJRQGJ-UHFFFAOYSA-N 1 2 446.508 -0.463 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCCC2(C1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081402 1073288712 /nfs/dbraw/zinc/28/87/12/1073288712.db2.gz LTGDAGQTSCFILC-UHFFFAOYSA-N 1 2 431.493 -0.398 20 0 IBADLO O=C(CCNC(=O)C(=O)N1CCC(C2OCCO2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081709 1073288777 /nfs/dbraw/zinc/28/87/77/1073288777.db2.gz PGUPZZLMVDULBN-UHFFFAOYSA-N 1 2 445.520 -0.152 20 0 IBADLO CN(CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000804180874 1073299224 /nfs/dbraw/zinc/29/92/24/1073299224.db2.gz CFEXIBAHZHBNGY-UHFFFAOYSA-N 1 2 434.559 -0.405 20 0 IBADLO CN(CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)OC(C)(C)C ZINC000804181139 1073299423 /nfs/dbraw/zinc/29/94/23/1073299423.db2.gz FOMWPJXMMXNYLE-UHFFFAOYSA-N 1 2 446.512 -0.005 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000804265221 1073570324 /nfs/dbraw/zinc/57/03/24/1073570324.db2.gz IJEPUXCDUNOUNF-CVEARBPZSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000804265235 1073570307 /nfs/dbraw/zinc/57/03/07/1073570307.db2.gz IJEPUXCDUNOUNF-HOTGVXAUSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000804265238 1073570201 /nfs/dbraw/zinc/57/02/01/1073570201.db2.gz IJEPUXCDUNOUNF-HZPDHXFCSA-N 1 2 428.530 -0.346 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000804265241 1073570269 /nfs/dbraw/zinc/57/02/69/1073570269.db2.gz IJEPUXCDUNOUNF-JKSUJKDBSA-N 1 2 428.530 -0.346 20 0 IBADLO NC(=O)CN1CCCN(c2nc(N3CCC[N@@H+](CC(N)=O)CC3)nc3c2SCC3)CC1 ZINC000804364490 1073635768 /nfs/dbraw/zinc/63/57/68/1073635768.db2.gz SSTWMRCVGHZOPJ-UHFFFAOYSA-N 1 2 448.597 -0.880 20 0 IBADLO NC(=O)CN1CCCN(c2nc(N3CCC[N@H+](CC(N)=O)CC3)nc3c2SCC3)CC1 ZINC000804364490 1073635760 /nfs/dbraw/zinc/63/57/60/1073635760.db2.gz SSTWMRCVGHZOPJ-UHFFFAOYSA-N 1 2 448.597 -0.880 20 0 IBADLO C[S@](=O)CC[NH+]1CCN(c2cncc(N3CCN(CC[S@@](C)=O)CC3)n2)CC1 ZINC000804498921 1073846424 /nfs/dbraw/zinc/84/64/24/1073846424.db2.gz VKAGZUMSJIHJNL-HNRBIFIRSA-N 1 2 428.628 -0.522 20 0 IBADLO C[S@](=O)CCN1CCN(c2cncc(N3CC[NH+](CC[S@@](C)=O)CC3)n2)CC1 ZINC000804498921 1073846409 /nfs/dbraw/zinc/84/64/09/1073846409.db2.gz VKAGZUMSJIHJNL-HNRBIFIRSA-N 1 2 428.628 -0.522 20 0 IBADLO C[S@](=O)CCN1CCN(c2cncc(N3CC[NH+](CC[S@](C)=O)CC3)n2)CC1 ZINC000804498922 1073846585 /nfs/dbraw/zinc/84/65/85/1073846585.db2.gz VKAGZUMSJIHJNL-NSOVKSMOSA-N 1 2 428.628 -0.522 20 0 IBADLO C[S@@](=O)CCN1CCN(c2cncc(N3CC[NH+](CC[S@@](C)=O)CC3)n2)CC1 ZINC000804498923 1073846443 /nfs/dbraw/zinc/84/64/43/1073846443.db2.gz VKAGZUMSJIHJNL-VSGBNLITSA-N 1 2 428.628 -0.522 20 0 IBADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000804678874 1073853140 /nfs/dbraw/zinc/85/31/40/1073853140.db2.gz TWKHTAWGXWZMGI-INIZCTEOSA-N 1 2 439.534 -0.260 20 0 IBADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000804678875 1073853116 /nfs/dbraw/zinc/85/31/16/1073853116.db2.gz TWKHTAWGXWZMGI-MRXNPFEDSA-N 1 2 439.534 -0.260 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000804709712 1073853694 /nfs/dbraw/zinc/85/36/94/1073853694.db2.gz QTQXHOSVGQCSMQ-DLBZAZTESA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000804709713 1073853784 /nfs/dbraw/zinc/85/37/84/1073853784.db2.gz QTQXHOSVGQCSMQ-IAGOWNOFSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000804709714 1073854278 /nfs/dbraw/zinc/85/42/78/1073854278.db2.gz QTQXHOSVGQCSMQ-IRXDYDNUSA-N 1 2 442.557 -0.099 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000804709715 1073854253 /nfs/dbraw/zinc/85/42/53/1073854253.db2.gz QTQXHOSVGQCSMQ-SJORKVTESA-N 1 2 442.557 -0.099 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804749783 1073855380 /nfs/dbraw/zinc/85/53/80/1073855380.db2.gz WIRQQVLQPJZVRQ-UHFFFAOYSA-N 1 2 444.496 -0.253 20 0 IBADLO CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000804750142 1073855253 /nfs/dbraw/zinc/85/52/53/1073855253.db2.gz JGRCCMINJLLSFI-UHFFFAOYSA-N 1 2 432.543 -0.653 20 0 IBADLO CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000804755292 1073855871 /nfs/dbraw/zinc/85/58/71/1073855871.db2.gz MVSFFKZZXJFPDH-UHFFFAOYSA-N 1 2 446.570 -0.405 20 0 IBADLO CCN1CCN(CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)C1=O ZINC000804763209 1073857127 /nfs/dbraw/zinc/85/71/27/1073857127.db2.gz WVNRKGCXTUEEJG-INIZCTEOSA-N 1 2 437.541 -0.169 20 0 IBADLO CCN1CCN(CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)C1=O ZINC000804763212 1073856788 /nfs/dbraw/zinc/85/67/88/1073856788.db2.gz WVNRKGCXTUEEJG-MRXNPFEDSA-N 1 2 437.541 -0.169 20 0 IBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000804824697 1073857586 /nfs/dbraw/zinc/85/75/86/1073857586.db2.gz AMXOHMJPFORQNV-UHFFFAOYSA-N 1 2 425.511 -0.298 20 0 IBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000804824697 1073857577 /nfs/dbraw/zinc/85/75/77/1073857577.db2.gz AMXOHMJPFORQNV-UHFFFAOYSA-N 1 2 425.511 -0.298 20 0 IBADLO CC[NH+]1CCN(C(=O)C(=O)NCCNc2ncnc3c2c(Br)nn3C)CC1 ZINC000804851111 1073859668 /nfs/dbraw/zinc/85/96/68/1073859668.db2.gz JBLAIYIOAGEGJE-UHFFFAOYSA-N 1 2 439.318 -0.182 20 0 IBADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000804869353 1073858043 /nfs/dbraw/zinc/85/80/43/1073858043.db2.gz NWNYMVYSGWVNOG-AWEZNQCLSA-N 1 2 429.568 -0.379 20 0 IBADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000804869354 1073857988 /nfs/dbraw/zinc/85/79/88/1073857988.db2.gz NWNYMVYSGWVNOG-CQSZACIVSA-N 1 2 429.568 -0.379 20 0 IBADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000804946538 1073861967 /nfs/dbraw/zinc/86/19/67/1073861967.db2.gz MAJYCSPSIXJFMP-UHFFFAOYSA-N 1 2 437.975 -0.158 20 0 IBADLO CC(=O)OCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804949893 1073862542 /nfs/dbraw/zinc/86/25/42/1073862542.db2.gz GKURJLQEIJXCCA-UHFFFAOYSA-N 1 2 434.540 -0.594 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cn1C ZINC000804976300 1073863819 /nfs/dbraw/zinc/86/38/19/1073863819.db2.gz FUPOFARRDODXHQ-HNNXBMFYSA-N 1 2 440.522 -0.126 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1C ZINC000804976300 1073863804 /nfs/dbraw/zinc/86/38/04/1073863804.db2.gz FUPOFARRDODXHQ-HNNXBMFYSA-N 1 2 440.522 -0.126 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1C ZINC000804976301 1073863558 /nfs/dbraw/zinc/86/35/58/1073863558.db2.gz FUPOFARRDODXHQ-OAHLLOKOSA-N 1 2 440.522 -0.126 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1C ZINC000804976301 1073863550 /nfs/dbraw/zinc/86/35/50/1073863550.db2.gz FUPOFARRDODXHQ-OAHLLOKOSA-N 1 2 440.522 -0.126 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000804983573 1073863672 /nfs/dbraw/zinc/86/36/72/1073863672.db2.gz QEOSHMGCVMWUSA-HNNXBMFYSA-N 1 2 442.538 -0.008 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000804983573 1073863660 /nfs/dbraw/zinc/86/36/60/1073863660.db2.gz QEOSHMGCVMWUSA-HNNXBMFYSA-N 1 2 442.538 -0.008 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000804983574 1073863714 /nfs/dbraw/zinc/86/37/14/1073863714.db2.gz QEOSHMGCVMWUSA-OAHLLOKOSA-N 1 2 442.538 -0.008 20 0 IBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000804983574 1073863703 /nfs/dbraw/zinc/86/37/03/1073863703.db2.gz QEOSHMGCVMWUSA-OAHLLOKOSA-N 1 2 442.538 -0.008 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805374264 1073873086 /nfs/dbraw/zinc/87/30/86/1073873086.db2.gz NCQMFMDVLUIUFT-UHFFFAOYSA-N 1 2 446.570 -0.309 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000805374516 1073976086 /nfs/dbraw/zinc/97/60/86/1073976086.db2.gz RIPWEKJXUCEURL-UHFFFAOYSA-N 1 2 436.578 -0.044 20 0 IBADLO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805374868 1073975991 /nfs/dbraw/zinc/97/59/91/1073975991.db2.gz SAYVXXQOTCFFJD-GOSISDBHSA-N 1 2 425.551 -0.015 20 0 IBADLO COC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805374870 1073976027 /nfs/dbraw/zinc/97/60/27/1073976027.db2.gz SAYVXXQOTCFFJD-SFHVURJKSA-N 1 2 425.551 -0.015 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000805375093 1073976079 /nfs/dbraw/zinc/97/60/79/1073976079.db2.gz CETQENZBRJNQKS-INIZCTEOSA-N 1 2 431.555 -0.196 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000805375094 1073873766 /nfs/dbraw/zinc/87/37/66/1073873766.db2.gz CETQENZBRJNQKS-MRXNPFEDSA-N 1 2 431.555 -0.196 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000805375209 1073976092 /nfs/dbraw/zinc/97/60/92/1073976092.db2.gz DWOQWWOUFMCMHO-UHFFFAOYSA-N 1 2 437.566 -0.649 20 0 IBADLO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805375259 1073976051 /nfs/dbraw/zinc/97/60/51/1073976051.db2.gz GSNAAMITANRACO-HNNXBMFYSA-N 1 2 446.570 -0.263 20 0 IBADLO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805375260 1073975888 /nfs/dbraw/zinc/97/58/88/1073975888.db2.gz GSNAAMITANRACO-OAHLLOKOSA-N 1 2 446.570 -0.263 20 0 IBADLO CCOC(=O)N1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805375601 1073874178 /nfs/dbraw/zinc/87/41/78/1073874178.db2.gz QQYBGDOKEWNJBF-UHFFFAOYSA-N 1 2 432.543 -0.698 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000805375682 1073873670 /nfs/dbraw/zinc/87/36/70/1073873670.db2.gz SZMBAQHYSMTTFL-UHFFFAOYSA-N 1 2 426.539 -0.451 20 0 IBADLO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375975 1073874127 /nfs/dbraw/zinc/87/41/27/1073874127.db2.gz GLENYNVGUIUAER-INIZCTEOSA-N 1 2 439.534 -0.090 20 0 IBADLO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375976 1073873799 /nfs/dbraw/zinc/87/37/99/1073873799.db2.gz GLENYNVGUIUAER-MRXNPFEDSA-N 1 2 439.534 -0.090 20 0 IBADLO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)N1CCCC[C@H]1C ZINC000805375995 1073976069 /nfs/dbraw/zinc/97/60/69/1073976069.db2.gz HBHAPAKRFDWCSU-CABCVRRESA-N 1 2 430.571 -0.483 20 0 IBADLO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)N1CCCC[C@@H]1C ZINC000805375996 1073976041 /nfs/dbraw/zinc/97/60/41/1073976041.db2.gz HBHAPAKRFDWCSU-GJZGRUSLSA-N 1 2 430.571 -0.483 20 0 IBADLO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)N1CCCC[C@H]1C ZINC000805375997 1073976429 /nfs/dbraw/zinc/97/64/29/1073976429.db2.gz HBHAPAKRFDWCSU-HUUCEWRRSA-N 1 2 430.571 -0.483 20 0 IBADLO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)N1CCCC[C@@H]1C ZINC000805375998 1073976556 /nfs/dbraw/zinc/97/65/56/1073976556.db2.gz HBHAPAKRFDWCSU-LSDHHAIUSA-N 1 2 430.571 -0.483 20 0 IBADLO Cc1ccc(CN(CCO)C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000805376179 1073976504 /nfs/dbraw/zinc/97/65/04/1073976504.db2.gz NMLYCMQCRBIAJV-UHFFFAOYSA-N 1 2 425.551 -0.059 20 0 IBADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805376226 1073874155 /nfs/dbraw/zinc/87/41/55/1073874155.db2.gz PGVAONGCSWIIDJ-UHFFFAOYSA-N 1 2 445.586 -0.736 20 0 IBADLO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)F ZINC000805376370 1073976416 /nfs/dbraw/zinc/97/64/16/1073976416.db2.gz VLKBYWKUINAQNZ-HNNXBMFYSA-N 1 2 438.541 -0.201 20 0 IBADLO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)F ZINC000805376371 1073976531 /nfs/dbraw/zinc/97/65/31/1073976531.db2.gz VLKBYWKUINAQNZ-OAHLLOKOSA-N 1 2 438.541 -0.201 20 0 IBADLO Cc1ccncc1N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805376520 1073874201 /nfs/dbraw/zinc/87/42/01/1073874201.db2.gz CHNMSNXOZPIJFE-UHFFFAOYSA-N 1 2 437.566 -0.336 20 0 IBADLO CC(C)OCCN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805376547 1073874095 /nfs/dbraw/zinc/87/40/95/1073874095.db2.gz XBBFEWKQMMOQCW-UHFFFAOYSA-N 1 2 432.587 -0.819 20 0 IBADLO COc1ccccc1CN(CCO)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805376557 1073874058 /nfs/dbraw/zinc/87/40/58/1073874058.db2.gz XTOYPIFJNPVCPL-UHFFFAOYSA-N 1 2 441.550 -0.359 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000805376698 1073873989 /nfs/dbraw/zinc/87/39/89/1073873989.db2.gz GHWMDPDOHNTDRJ-GOSISDBHSA-N 1 2 439.534 -0.083 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000805376699 1073873828 /nfs/dbraw/zinc/87/38/28/1073873828.db2.gz GHWMDPDOHNTDRJ-SFHVURJKSA-N 1 2 439.534 -0.083 20 0 IBADLO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805377536 1073976470 /nfs/dbraw/zinc/97/64/70/1073976470.db2.gz CTHSFXUYQCQAAG-HNNXBMFYSA-N 1 2 432.543 -0.651 20 0 IBADLO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805377537 1073874689 /nfs/dbraw/zinc/87/46/89/1073874689.db2.gz CTHSFXUYQCQAAG-OAHLLOKOSA-N 1 2 432.543 -0.651 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C(F)(F)F)O1 ZINC000805377937 1073873687 /nfs/dbraw/zinc/87/36/87/1073873687.db2.gz JXRINRQSWGZKIG-AAEUAGOBSA-N 1 2 429.461 -0.210 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C(F)(F)F)O1 ZINC000805377939 1073873900 /nfs/dbraw/zinc/87/39/00/1073873900.db2.gz JXRINRQSWGZKIG-DGCLKSJQSA-N 1 2 429.461 -0.210 20 0 IBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C(F)(F)F)O1 ZINC000805377940 1073873714 /nfs/dbraw/zinc/87/37/14/1073873714.db2.gz JXRINRQSWGZKIG-WCQYABFASA-N 1 2 429.461 -0.210 20 0 IBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C(F)(F)F)O1 ZINC000805377942 1073873964 /nfs/dbraw/zinc/87/39/64/1073873964.db2.gz JXRINRQSWGZKIG-YPMHNXCESA-N 1 2 429.461 -0.210 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N(CCO)CCc2ccccc2)CC1 ZINC000805378259 1073874020 /nfs/dbraw/zinc/87/40/20/1073874020.db2.gz GWSYEEWQRHHMTE-UHFFFAOYSA-N 1 2 425.551 -0.325 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000805378800 1073874623 /nfs/dbraw/zinc/87/46/23/1073874623.db2.gz MXZIEWOHJBFZGY-UHFFFAOYSA-N 1 2 437.566 -0.649 20 0 IBADLO CN(CCN(C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000805379290 1073874673 /nfs/dbraw/zinc/87/46/73/1073874673.db2.gz AQGPBPNEHYKZRJ-UHFFFAOYSA-N 1 2 448.586 -0.063 20 0 IBADLO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379439 1073977081 /nfs/dbraw/zinc/97/70/81/1073977081.db2.gz ZBEYJXTUOXRWHK-UHFFFAOYSA-N 1 2 425.507 -0.001 20 0 IBADLO CC(C)COC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805379566 1073977045 /nfs/dbraw/zinc/97/70/45/1073977045.db2.gz HZHCPEWEGPOSNH-UHFFFAOYSA-N 1 2 446.570 -0.452 20 0 IBADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380596 1073874457 /nfs/dbraw/zinc/87/44/57/1073874457.db2.gz SVIHFXSSVKVWCZ-CYBMUJFWSA-N 1 2 434.559 -0.359 20 0 IBADLO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380601 1073874603 /nfs/dbraw/zinc/87/46/03/1073874603.db2.gz SVIHFXSSVKVWCZ-ZDUSSCGKSA-N 1 2 434.559 -0.359 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000805380842 1073874701 /nfs/dbraw/zinc/87/47/01/1073874701.db2.gz ZBKZJLFAABCMPB-GOSISDBHSA-N 1 2 444.598 -0.675 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000805380847 1073874793 /nfs/dbraw/zinc/87/47/93/1073874793.db2.gz ZBKZJLFAABCMPB-SFHVURJKSA-N 1 2 444.598 -0.675 20 0 IBADLO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1(C)C ZINC000805380997 1073874511 /nfs/dbraw/zinc/87/45/11/1073874511.db2.gz ADLMMGYTXMPQNX-UHFFFAOYSA-N 1 2 430.571 -0.531 20 0 IBADLO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805381193 1073977508 /nfs/dbraw/zinc/97/75/08/1073977508.db2.gz FNTWCXFNZXRIID-CABCVRRESA-N 1 2 446.570 -0.405 20 0 IBADLO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805381194 1073874491 /nfs/dbraw/zinc/87/44/91/1073874491.db2.gz FNTWCXFNZXRIID-GJZGRUSLSA-N 1 2 446.570 -0.405 20 0 IBADLO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805381195 1073874536 /nfs/dbraw/zinc/87/45/36/1073874536.db2.gz FNTWCXFNZXRIID-HUUCEWRRSA-N 1 2 446.570 -0.405 20 0 IBADLO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805381196 1073874717 /nfs/dbraw/zinc/87/47/17/1073874717.db2.gz FNTWCXFNZXRIID-LSDHHAIUSA-N 1 2 446.570 -0.405 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000805381219 1073977587 /nfs/dbraw/zinc/97/75/87/1073977587.db2.gz GPMLJNOEXAXWRN-UHFFFAOYSA-N 1 2 441.529 -0.506 20 0 IBADLO C[C@@H](N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1)C(F)(F)F ZINC000805381748 1073977604 /nfs/dbraw/zinc/97/76/04/1073977604.db2.gz IYNMHTXLFGKIRN-CYBMUJFWSA-N 1 2 442.504 -0.293 20 0 IBADLO C[C@H](N1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1)C(F)(F)F ZINC000805381749 1073977670 /nfs/dbraw/zinc/97/76/70/1073977670.db2.gz IYNMHTXLFGKIRN-ZDUSSCGKSA-N 1 2 442.504 -0.293 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000805381850 1073875292 /nfs/dbraw/zinc/87/52/92/1073875292.db2.gz VQSSVQNUKOGQIT-UHFFFAOYSA-N 1 2 428.477 -0.682 20 0 IBADLO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C1=O ZINC000805382034 1073875120 /nfs/dbraw/zinc/87/51/20/1073875120.db2.gz LTVWJTOVXRBIMU-HNNXBMFYSA-N 1 2 430.571 -0.673 20 0 IBADLO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C)C1=O ZINC000805382035 1073875317 /nfs/dbraw/zinc/87/53/17/1073875317.db2.gz LTVWJTOVXRBIMU-OAHLLOKOSA-N 1 2 430.571 -0.673 20 0 IBADLO C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382078 1073874775 /nfs/dbraw/zinc/87/47/75/1073874775.db2.gz ZDVWGNWDVZHYGE-AWEZNQCLSA-N 1 2 448.586 -0.017 20 0 IBADLO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382080 1073875080 /nfs/dbraw/zinc/87/50/80/1073875080.db2.gz ZDVWGNWDVZHYGE-CQSZACIVSA-N 1 2 448.586 -0.017 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000805382171 1073977526 /nfs/dbraw/zinc/97/75/26/1073977526.db2.gz ADGBENCBGGBINB-UHFFFAOYSA-N 1 2 438.550 -0.334 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)CC1 ZINC000805382224 1073875254 /nfs/dbraw/zinc/87/52/54/1073875254.db2.gz QASWQVPUMSFHPJ-UHFFFAOYSA-N 1 2 442.504 -0.292 20 0 IBADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000805382250 1073875389 /nfs/dbraw/zinc/87/53/89/1073875389.db2.gz BHDYATHFUOCZJL-HNNXBMFYSA-N 1 2 447.554 -0.819 20 0 IBADLO CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000805382253 1073875055 /nfs/dbraw/zinc/87/50/55/1073875055.db2.gz BHDYATHFUOCZJL-OAHLLOKOSA-N 1 2 447.554 -0.819 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000805382255 1073875356 /nfs/dbraw/zinc/87/53/56/1073875356.db2.gz BKSYXPOFNAXGAT-UHFFFAOYSA-N 1 2 441.529 -0.506 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000805382411 1073875421 /nfs/dbraw/zinc/87/54/21/1073875421.db2.gz QMMQQBCQNWJEKA-UHFFFAOYSA-N 1 2 436.534 -0.513 20 0 IBADLO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805382600 1073871974 /nfs/dbraw/zinc/87/19/74/1073871974.db2.gz GSJORKJUOLTCJD-AWEZNQCLSA-N 1 2 431.555 -0.198 20 0 IBADLO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805382601 1073871835 /nfs/dbraw/zinc/87/18/35/1073871835.db2.gz GSJORKJUOLTCJD-CQSZACIVSA-N 1 2 431.555 -0.198 20 0 IBADLO Cc1csc(N2CCN(C(=O)C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)n1 ZINC000805383266 1073978170 /nfs/dbraw/zinc/97/81/70/1073978170.db2.gz UPPVUDXICLZDKT-UHFFFAOYSA-N 1 2 443.595 -0.275 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000805472475 1073875830 /nfs/dbraw/zinc/87/58/30/1073875830.db2.gz DSMLHKOWRAIVRR-KRWDZBQOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000805472475 1073875816 /nfs/dbraw/zinc/87/58/16/1073875816.db2.gz DSMLHKOWRAIVRR-KRWDZBQOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000805472476 1073875918 /nfs/dbraw/zinc/87/59/18/1073875918.db2.gz DSMLHKOWRAIVRR-QGZVFWFLSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000805472476 1073875909 /nfs/dbraw/zinc/87/59/09/1073875909.db2.gz DSMLHKOWRAIVRR-QGZVFWFLSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000805473059 1073875627 /nfs/dbraw/zinc/87/56/27/1073875627.db2.gz CVMYXKNZRGMPLE-INIZCTEOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000805473059 1073875609 /nfs/dbraw/zinc/87/56/09/1073875609.db2.gz CVMYXKNZRGMPLE-INIZCTEOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473144 1074001360 /nfs/dbraw/zinc/00/13/60/1074001360.db2.gz RPXPZZDDDGUHRV-FOIQADDNSA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473144 1074001354 /nfs/dbraw/zinc/00/13/54/1074001354.db2.gz RPXPZZDDDGUHRV-FOIQADDNSA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473145 1073875702 /nfs/dbraw/zinc/87/57/02/1073875702.db2.gz RPXPZZDDDGUHRV-MGPUTAFESA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473145 1073875689 /nfs/dbraw/zinc/87/56/89/1073875689.db2.gz RPXPZZDDDGUHRV-MGPUTAFESA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473146 1073875586 /nfs/dbraw/zinc/87/55/86/1073875586.db2.gz RPXPZZDDDGUHRV-QRWLVFNGSA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473146 1073875573 /nfs/dbraw/zinc/87/55/73/1073875573.db2.gz RPXPZZDDDGUHRV-QRWLVFNGSA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473147 1073876070 /nfs/dbraw/zinc/87/60/70/1073876070.db2.gz RPXPZZDDDGUHRV-YWZLYKJASA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 ZINC000805473147 1073876065 /nfs/dbraw/zinc/87/60/65/1073876065.db2.gz RPXPZZDDDGUHRV-YWZLYKJASA-N 1 2 434.449 -0.243 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000805473204 1074001266 /nfs/dbraw/zinc/00/12/66/1074001266.db2.gz CVMYXKNZRGMPLE-MRXNPFEDSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000805473204 1074001254 /nfs/dbraw/zinc/00/12/54/1074001254.db2.gz CVMYXKNZRGMPLE-MRXNPFEDSA-N 1 2 443.497 -0.078 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@H]2C[N@@H+](CC)CCO2)c(=O)[nH]c1=O ZINC000805474143 1073876009 /nfs/dbraw/zinc/87/60/09/1073876009.db2.gz UJCTUGFPXLLNND-CYBMUJFWSA-N 1 2 425.486 -0.052 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@H]2C[N@H+](CC)CCO2)c(=O)[nH]c1=O ZINC000805474143 1073875998 /nfs/dbraw/zinc/87/59/98/1073875998.db2.gz UJCTUGFPXLLNND-CYBMUJFWSA-N 1 2 425.486 -0.052 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@@H]2C[N@@H+](CC)CCO2)c(=O)[nH]c1=O ZINC000805474144 1073876041 /nfs/dbraw/zinc/87/60/41/1073876041.db2.gz UJCTUGFPXLLNND-ZDUSSCGKSA-N 1 2 425.486 -0.052 20 0 IBADLO CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@@H]2C[N@H+](CC)CCO2)c(=O)[nH]c1=O ZINC000805474144 1073876030 /nfs/dbraw/zinc/87/60/30/1073876030.db2.gz UJCTUGFPXLLNND-ZDUSSCGKSA-N 1 2 425.486 -0.052 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000805475888 1073876129 /nfs/dbraw/zinc/87/61/29/1073876129.db2.gz YVXKXHMEKFDWRU-MOPGFXCFSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000805475888 1073876115 /nfs/dbraw/zinc/87/61/15/1073876115.db2.gz YVXKXHMEKFDWRU-MOPGFXCFSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000805475892 1073875794 /nfs/dbraw/zinc/87/57/94/1073875794.db2.gz YVXKXHMEKFDWRU-OALUTQOASA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000805475892 1073875781 /nfs/dbraw/zinc/87/57/81/1073875781.db2.gz YVXKXHMEKFDWRU-OALUTQOASA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000805475894 1073876188 /nfs/dbraw/zinc/87/61/88/1073876188.db2.gz YVXKXHMEKFDWRU-RBUKOAKNSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000805475894 1073876176 /nfs/dbraw/zinc/87/61/76/1073876176.db2.gz YVXKXHMEKFDWRU-RBUKOAKNSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000805475896 1074002542 /nfs/dbraw/zinc/00/25/42/1074002542.db2.gz YVXKXHMEKFDWRU-RTBURBONSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000805475896 1074002536 /nfs/dbraw/zinc/00/25/36/1074002536.db2.gz YVXKXHMEKFDWRU-RTBURBONSA-N 1 2 447.488 -0.239 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000805478515 1073875668 /nfs/dbraw/zinc/87/56/68/1073875668.db2.gz WANPBNMZCMHKJX-KRWDZBQOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000805478515 1073875659 /nfs/dbraw/zinc/87/56/59/1073875659.db2.gz WANPBNMZCMHKJX-KRWDZBQOSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000805478520 1073875879 /nfs/dbraw/zinc/87/58/79/1073875879.db2.gz WANPBNMZCMHKJX-QGZVFWFLSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000805478520 1073875866 /nfs/dbraw/zinc/87/58/66/1073875866.db2.gz WANPBNMZCMHKJX-QGZVFWFLSA-N 1 2 443.497 -0.078 20 0 IBADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000805478584 1074002809 /nfs/dbraw/zinc/00/28/09/1074002809.db2.gz GQLPHLBKPXXPGE-HNNXBMFYSA-N 1 2 444.510 -0.612 20 0 IBADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000805478584 1074002805 /nfs/dbraw/zinc/00/28/05/1074002805.db2.gz GQLPHLBKPXXPGE-HNNXBMFYSA-N 1 2 444.510 -0.612 20 0 IBADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000805478585 1074002932 /nfs/dbraw/zinc/00/29/32/1074002932.db2.gz GQLPHLBKPXXPGE-OAHLLOKOSA-N 1 2 444.510 -0.612 20 0 IBADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000805478585 1074002922 /nfs/dbraw/zinc/00/29/22/1074002922.db2.gz GQLPHLBKPXXPGE-OAHLLOKOSA-N 1 2 444.510 -0.612 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C(C)(C)N2CCOCC2)CC1 ZINC000805556888 1073877694 /nfs/dbraw/zinc/87/76/94/1073877694.db2.gz JGANICJUDKMWLJ-UHFFFAOYSA-N 1 2 431.497 -0.334 20 0 IBADLO C[C@H]1CCCN(C(=O)C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000805562178 1073877506 /nfs/dbraw/zinc/87/75/06/1073877506.db2.gz NLBYGQSVOURVSH-AWEZNQCLSA-N 1 2 429.481 -0.186 20 0 IBADLO C[C@@H]1CCCN(C(=O)C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000805562179 1073877545 /nfs/dbraw/zinc/87/75/45/1073877545.db2.gz NLBYGQSVOURVSH-CQSZACIVSA-N 1 2 429.481 -0.186 20 0 IBADLO CC1CCN(C(=O)C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000805568201 1073877721 /nfs/dbraw/zinc/87/77/21/1073877721.db2.gz FIJWGIFKSBQAKH-UHFFFAOYSA-N 1 2 429.481 -0.186 20 0 IBADLO CC[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000805621115 1073878603 /nfs/dbraw/zinc/87/86/03/1073878603.db2.gz UEVOWKPNSVYFHB-DHMKHTPVSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000805621115 1073878587 /nfs/dbraw/zinc/87/85/87/1073878587.db2.gz UEVOWKPNSVYFHB-DHMKHTPVSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000805621123 1073878773 /nfs/dbraw/zinc/87/87/73/1073878773.db2.gz UEVOWKPNSVYFHB-FOGNVHKLSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000805621123 1073878765 /nfs/dbraw/zinc/87/87/65/1073878765.db2.gz UEVOWKPNSVYFHB-FOGNVHKLSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000805621126 1073878634 /nfs/dbraw/zinc/87/86/34/1073878634.db2.gz UEVOWKPNSVYFHB-INCQDFKNSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000805621126 1073878624 /nfs/dbraw/zinc/87/86/24/1073878624.db2.gz UEVOWKPNSVYFHB-INCQDFKNSA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000805621129 1073878520 /nfs/dbraw/zinc/87/85/20/1073878520.db2.gz UEVOWKPNSVYFHB-JGVYIQDASA-N 1 2 438.554 -0.717 20 0 IBADLO CC[S@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000805621129 1073878504 /nfs/dbraw/zinc/87/85/04/1073878504.db2.gz UEVOWKPNSVYFHB-JGVYIQDASA-N 1 2 438.554 -0.717 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000805638880 1073878431 /nfs/dbraw/zinc/87/84/31/1073878431.db2.gz TVZXLRQBXNXXQA-KRWDZBQOSA-N 1 2 436.534 -0.467 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000805638881 1073878687 /nfs/dbraw/zinc/87/86/87/1073878687.db2.gz TVZXLRQBXNXXQA-QGZVFWFLSA-N 1 2 436.534 -0.467 20 0 IBADLO Cc1cccc(C)c1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000805679188 1074044150 /nfs/dbraw/zinc/04/41/50/1074044150.db2.gz NJNXKGGJTUDXIL-UHFFFAOYSA-N 1 2 437.566 -0.444 20 0 IBADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786618 1073879918 /nfs/dbraw/zinc/87/99/18/1073879918.db2.gz XVTMILVZACURPJ-ZQIUZPCESA-N 1 2 435.491 -0.004 20 0 IBADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786618 1073879906 /nfs/dbraw/zinc/87/99/06/1073879906.db2.gz XVTMILVZACURPJ-ZQIUZPCESA-N 1 2 435.491 -0.004 20 0 IBADLO COC(=O)N1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000805830800 1073880221 /nfs/dbraw/zinc/88/02/21/1073880221.db2.gz PWGQZKUSHIDQSE-UHFFFAOYSA-N 1 2 446.574 -0.716 20 0 IBADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000806100271 1073885153 /nfs/dbraw/zinc/88/51/53/1073885153.db2.gz UYNGVXRIRWEPKM-UHFFFAOYSA-N 1 2 426.461 -0.029 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000806101925 1073885686 /nfs/dbraw/zinc/88/56/86/1073885686.db2.gz VXJLYEJHMUCJGB-UHFFFAOYSA-N 1 2 444.476 -0.545 20 0 IBADLO CC1(CCNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)OCCO1 ZINC000806269396 1073890823 /nfs/dbraw/zinc/89/08/23/1073890823.db2.gz CTJPKBWGBFLGJQ-INIZCTEOSA-N 1 2 448.524 -0.333 20 0 IBADLO CC1(CCNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)OCCO1 ZINC000806269396 1073890812 /nfs/dbraw/zinc/89/08/12/1073890812.db2.gz CTJPKBWGBFLGJQ-INIZCTEOSA-N 1 2 448.524 -0.333 20 0 IBADLO CC1(CCNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)OCCO1 ZINC000806269397 1073890941 /nfs/dbraw/zinc/89/09/41/1073890941.db2.gz CTJPKBWGBFLGJQ-MRXNPFEDSA-N 1 2 448.524 -0.333 20 0 IBADLO CC1(CCNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)OCCO1 ZINC000806269397 1073890933 /nfs/dbraw/zinc/89/09/33/1073890933.db2.gz CTJPKBWGBFLGJQ-MRXNPFEDSA-N 1 2 448.524 -0.333 20 0 IBADLO Cc1nonc1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806269633 1073890187 /nfs/dbraw/zinc/89/01/87/1073890187.db2.gz HVQMQQDNXWWNBL-AWEZNQCLSA-N 1 2 430.469 -0.594 20 0 IBADLO Cc1nonc1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806269633 1073890182 /nfs/dbraw/zinc/89/01/82/1073890182.db2.gz HVQMQQDNXWWNBL-AWEZNQCLSA-N 1 2 430.469 -0.594 20 0 IBADLO Cc1nonc1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806269634 1073890113 /nfs/dbraw/zinc/89/01/13/1073890113.db2.gz HVQMQQDNXWWNBL-CQSZACIVSA-N 1 2 430.469 -0.594 20 0 IBADLO Cc1nonc1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806269634 1073890111 /nfs/dbraw/zinc/89/01/11/1073890111.db2.gz HVQMQQDNXWWNBL-CQSZACIVSA-N 1 2 430.469 -0.594 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806269674 1073890228 /nfs/dbraw/zinc/89/02/28/1073890228.db2.gz IMXGEYAXEFKGNM-INIZCTEOSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806269674 1073890224 /nfs/dbraw/zinc/89/02/24/1073890224.db2.gz IMXGEYAXEFKGNM-INIZCTEOSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806269679 1073890752 /nfs/dbraw/zinc/89/07/52/1073890752.db2.gz IMXGEYAXEFKGNM-MRXNPFEDSA-N 1 2 442.524 -0.509 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806269679 1073890747 /nfs/dbraw/zinc/89/07/47/1073890747.db2.gz IMXGEYAXEFKGNM-MRXNPFEDSA-N 1 2 442.524 -0.509 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC000806270285 1073891045 /nfs/dbraw/zinc/89/10/45/1073891045.db2.gz RTDJCFXAGCAHPH-HNNXBMFYSA-N 1 2 448.524 -0.334 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC000806270285 1073891034 /nfs/dbraw/zinc/89/10/34/1073891034.db2.gz RTDJCFXAGCAHPH-HNNXBMFYSA-N 1 2 448.524 -0.334 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC000806270286 1073890850 /nfs/dbraw/zinc/89/08/50/1073890850.db2.gz RTDJCFXAGCAHPH-OAHLLOKOSA-N 1 2 448.524 -0.334 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC000806270286 1073890844 /nfs/dbraw/zinc/89/08/44/1073890844.db2.gz RTDJCFXAGCAHPH-OAHLLOKOSA-N 1 2 448.524 -0.334 20 0 IBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806270289 1073890578 /nfs/dbraw/zinc/89/05/78/1073890578.db2.gz RWMGJCCSGDPRHK-CVEARBPZSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806270289 1073890572 /nfs/dbraw/zinc/89/05/72/1073890572.db2.gz RWMGJCCSGDPRHK-CVEARBPZSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806270290 1073891011 /nfs/dbraw/zinc/89/10/11/1073891011.db2.gz RWMGJCCSGDPRHK-HOTGVXAUSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806270290 1073891001 /nfs/dbraw/zinc/89/10/01/1073891001.db2.gz RWMGJCCSGDPRHK-HOTGVXAUSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806270291 1073890796 /nfs/dbraw/zinc/89/07/96/1073890796.db2.gz RWMGJCCSGDPRHK-HZPDHXFCSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806270291 1073890788 /nfs/dbraw/zinc/89/07/88/1073890788.db2.gz RWMGJCCSGDPRHK-HZPDHXFCSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806270292 1073890690 /nfs/dbraw/zinc/89/06/90/1073890690.db2.gz RWMGJCCSGDPRHK-JKSUJKDBSA-N 1 2 445.524 -0.913 20 0 IBADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000806270292 1073890687 /nfs/dbraw/zinc/89/06/87/1073890687.db2.gz RWMGJCCSGDPRHK-JKSUJKDBSA-N 1 2 445.524 -0.913 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC000806270299 1073890672 /nfs/dbraw/zinc/89/06/72/1073890672.db2.gz SJCJRNQRNDRZES-INIZCTEOSA-N 1 2 446.508 -0.626 20 0 IBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC000806270299 1073890663 /nfs/dbraw/zinc/89/06/63/1073890663.db2.gz SJCJRNQRNDRZES-INIZCTEOSA-N 1 2 446.508 -0.626 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC000806270300 1073890602 /nfs/dbraw/zinc/89/06/02/1073890602.db2.gz SJCJRNQRNDRZES-MRXNPFEDSA-N 1 2 446.508 -0.626 20 0 IBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC000806270300 1073890597 /nfs/dbraw/zinc/89/05/97/1073890597.db2.gz SJCJRNQRNDRZES-MRXNPFEDSA-N 1 2 446.508 -0.626 20 0 IBADLO CC1(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)OCCO1 ZINC000806372552 1073892515 /nfs/dbraw/zinc/89/25/15/1073892515.db2.gz KEHLSPAEZOBRGM-UHFFFAOYSA-N 1 2 434.497 -0.769 20 0 IBADLO CC1(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)OCCO1 ZINC000806372552 1073892511 /nfs/dbraw/zinc/89/25/11/1073892511.db2.gz KEHLSPAEZOBRGM-UHFFFAOYSA-N 1 2 434.497 -0.769 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806399115 1073893080 /nfs/dbraw/zinc/89/30/80/1073893080.db2.gz FCQXVCXGYTWZLD-MSOLQXFVSA-N 1 2 447.536 -0.253 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806399116 1073893043 /nfs/dbraw/zinc/89/30/43/1073893043.db2.gz FCQXVCXGYTWZLD-QZTJIDSGSA-N 1 2 447.536 -0.253 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806399117 1073892977 /nfs/dbraw/zinc/89/29/77/1073892977.db2.gz FCQXVCXGYTWZLD-ROUUACIJSA-N 1 2 447.536 -0.253 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806399118 1073893108 /nfs/dbraw/zinc/89/31/08/1073893108.db2.gz FCQXVCXGYTWZLD-ZWKOTPCHSA-N 1 2 447.536 -0.253 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CO1 ZINC000806649627 1073896514 /nfs/dbraw/zinc/89/65/14/1073896514.db2.gz FUWYGBZXZJMRGU-UHFFFAOYSA-N 1 2 434.497 -0.771 20 0 IBADLO CC1(C)OCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CO1 ZINC000806649627 1073896499 /nfs/dbraw/zinc/89/64/99/1073896499.db2.gz FUWYGBZXZJMRGU-UHFFFAOYSA-N 1 2 434.497 -0.771 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000806689461 1073896944 /nfs/dbraw/zinc/89/69/44/1073896944.db2.gz LYLPRAIFASZSEK-AWEZNQCLSA-N 1 2 429.481 -0.186 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000806689463 1073897004 /nfs/dbraw/zinc/89/70/04/1073897004.db2.gz LYLPRAIFASZSEK-CQSZACIVSA-N 1 2 429.481 -0.186 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806712984 1073899076 /nfs/dbraw/zinc/89/90/76/1073899076.db2.gz FZIYAQYUHXFSSD-AWEZNQCLSA-N 1 2 445.480 -0.950 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806712985 1073899091 /nfs/dbraw/zinc/89/90/91/1073899091.db2.gz FZIYAQYUHXFSSD-CQSZACIVSA-N 1 2 445.480 -0.950 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806718623 1073900102 /nfs/dbraw/zinc/90/01/02/1073900102.db2.gz XESOEQYONZXETP-KRWDZBQOSA-N 1 2 440.541 -0.573 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806718623 1073900091 /nfs/dbraw/zinc/90/00/91/1073900091.db2.gz XESOEQYONZXETP-KRWDZBQOSA-N 1 2 440.541 -0.573 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806718624 1073900199 /nfs/dbraw/zinc/90/01/99/1073900199.db2.gz XESOEQYONZXETP-QGZVFWFLSA-N 1 2 440.541 -0.573 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806718624 1073900185 /nfs/dbraw/zinc/90/01/85/1073900185.db2.gz XESOEQYONZXETP-QGZVFWFLSA-N 1 2 440.541 -0.573 20 0 IBADLO CSCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000806889483 1073903122 /nfs/dbraw/zinc/90/31/22/1073903122.db2.gz WKFJAOXGMROMBA-UHFFFAOYSA-N 1 2 449.643 -0.338 20 0 IBADLO Cn1[nH]cc2c(=NC(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccnc1-2 ZINC000806905668 1073905328 /nfs/dbraw/zinc/90/53/28/1073905328.db2.gz SBRJTIBWMXVFHI-UHFFFAOYSA-N 1 2 436.476 -0.470 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NN3CC(=O)NC3=O)cc2Br)CC1 ZINC000807061922 1073909798 /nfs/dbraw/zinc/90/97/98/1073909798.db2.gz JEYCBLMERDBUDH-UHFFFAOYSA-N 1 2 439.270 -0.278 20 0 IBADLO Cn1c[nH+]cc1CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000807188729 1073912320 /nfs/dbraw/zinc/91/23/20/1073912320.db2.gz OGHHLDQCFKOXIV-UHFFFAOYSA-N 1 2 430.508 -0.117 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000807251547 1073913896 /nfs/dbraw/zinc/91/38/96/1073913896.db2.gz WUYIUFWBHNAWMU-CYBMUJFWSA-N 1 2 425.490 -0.085 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000807251547 1073913886 /nfs/dbraw/zinc/91/38/86/1073913886.db2.gz WUYIUFWBHNAWMU-CYBMUJFWSA-N 1 2 425.490 -0.085 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000807251548 1073914086 /nfs/dbraw/zinc/91/40/86/1073914086.db2.gz WUYIUFWBHNAWMU-ZDUSSCGKSA-N 1 2 425.490 -0.085 20 0 IBADLO COC(=O)c1cn(CCNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000807251548 1073914077 /nfs/dbraw/zinc/91/40/77/1073914077.db2.gz WUYIUFWBHNAWMU-ZDUSSCGKSA-N 1 2 425.490 -0.085 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)c1 ZINC000807279242 1073914061 /nfs/dbraw/zinc/91/40/61/1073914061.db2.gz ACCVWJQEQACUGU-HNNXBMFYSA-N 1 2 439.494 -0.567 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)c1 ZINC000807279243 1073914017 /nfs/dbraw/zinc/91/40/17/1073914017.db2.gz ACCVWJQEQACUGU-OAHLLOKOSA-N 1 2 439.494 -0.567 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(=O)OC)cc2S1(=O)=O ZINC000807280915 1073914769 /nfs/dbraw/zinc/91/47/69/1073914769.db2.gz LSESVTLSJQVXEF-AWEZNQCLSA-N 1 2 436.446 -0.354 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(=O)OC)cc2S1(=O)=O ZINC000807280916 1073914664 /nfs/dbraw/zinc/91/46/64/1073914664.db2.gz LSESVTLSJQVXEF-CQSZACIVSA-N 1 2 436.446 -0.354 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000807281021 1073914703 /nfs/dbraw/zinc/91/47/03/1073914703.db2.gz QBZYRBNSFDKJAF-AWEZNQCLSA-N 1 2 438.462 -0.319 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000807281022 1073914738 /nfs/dbraw/zinc/91/47/38/1073914738.db2.gz QBZYRBNSFDKJAF-CQSZACIVSA-N 1 2 438.462 -0.319 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000807281105 1073914689 /nfs/dbraw/zinc/91/46/89/1073914689.db2.gz RHVCMUBOJRBSHU-HNNXBMFYSA-N 1 2 437.478 -0.779 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000807281106 1073914621 /nfs/dbraw/zinc/91/46/21/1073914621.db2.gz RHVCMUBOJRBSHU-OAHLLOKOSA-N 1 2 437.478 -0.779 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000807283016 1073914599 /nfs/dbraw/zinc/91/45/99/1073914599.db2.gz DOGOHVDSBCPVJU-AWEZNQCLSA-N 1 2 425.467 -0.786 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000807283017 1073914715 /nfs/dbraw/zinc/91/47/15/1073914715.db2.gz DOGOHVDSBCPVJU-CQSZACIVSA-N 1 2 425.467 -0.786 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000807283936 1073914574 /nfs/dbraw/zinc/91/45/74/1073914574.db2.gz MIKPLGPEWWQIGS-SECBINFHSA-N 1 2 438.242 -0.553 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000807283942 1073914747 /nfs/dbraw/zinc/91/47/47/1073914747.db2.gz MIKPLGPEWWQIGS-VIFPVBQESA-N 1 2 438.242 -0.553 20 0 IBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC1(C)OCCO1 ZINC000807423222 1073917607 /nfs/dbraw/zinc/91/76/07/1073917607.db2.gz OOCPPFFQEXCALQ-AWEZNQCLSA-N 1 2 431.497 -0.083 20 0 IBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC1(C)OCCO1 ZINC000807423223 1073917666 /nfs/dbraw/zinc/91/76/66/1073917666.db2.gz OOCPPFFQEXCALQ-CQSZACIVSA-N 1 2 431.497 -0.083 20 0 IBADLO Cc1cccc(F)c1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000807519740 1073919982 /nfs/dbraw/zinc/91/99/82/1073919982.db2.gz ROKUFLMXCZTFEB-UHFFFAOYSA-N 1 2 441.529 -0.613 20 0 IBADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000807641279 1073921821 /nfs/dbraw/zinc/92/18/21/1073921821.db2.gz SLIMJKGJFVFJHK-UHFFFAOYSA-N 1 2 437.566 -0.059 20 0 IBADLO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000807655925 1073922894 /nfs/dbraw/zinc/92/28/94/1073922894.db2.gz GDJNQARLBZZDEA-MOPGFXCFSA-N 1 2 432.521 -0.242 20 0 IBADLO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000807655926 1073922810 /nfs/dbraw/zinc/92/28/10/1073922810.db2.gz GDJNQARLBZZDEA-OALUTQOASA-N 1 2 432.521 -0.242 20 0 IBADLO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000807655927 1073922921 /nfs/dbraw/zinc/92/29/21/1073922921.db2.gz GDJNQARLBZZDEA-RBUKOAKNSA-N 1 2 432.521 -0.242 20 0 IBADLO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)cc1 ZINC000807655928 1073922945 /nfs/dbraw/zinc/92/29/45/1073922945.db2.gz GDJNQARLBZZDEA-RTBURBONSA-N 1 2 432.521 -0.242 20 0 IBADLO CCN1CCN(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C(=O)C1=O ZINC000807746279 1073924617 /nfs/dbraw/zinc/92/46/17/1073924617.db2.gz JSTOVIBODSRYJO-INIZCTEOSA-N 1 2 437.541 -0.169 20 0 IBADLO CCN1CCN(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C(=O)C1=O ZINC000807746281 1073924608 /nfs/dbraw/zinc/92/46/08/1073924608.db2.gz JSTOVIBODSRYJO-MRXNPFEDSA-N 1 2 437.541 -0.169 20 0 IBADLO CS[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000807765589 1073928028 /nfs/dbraw/zinc/92/80/28/1073928028.db2.gz PHGYDHTZXYQRIJ-CABCVRRESA-N 1 2 433.600 -0.977 20 0 IBADLO CS[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000807765590 1073928057 /nfs/dbraw/zinc/92/80/57/1073928057.db2.gz PHGYDHTZXYQRIJ-GJZGRUSLSA-N 1 2 433.600 -0.977 20 0 IBADLO CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000807765591 1073928122 /nfs/dbraw/zinc/92/81/22/1073928122.db2.gz PHGYDHTZXYQRIJ-HUUCEWRRSA-N 1 2 433.600 -0.977 20 0 IBADLO CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000807765592 1073928048 /nfs/dbraw/zinc/92/80/48/1073928048.db2.gz PHGYDHTZXYQRIJ-LSDHHAIUSA-N 1 2 433.600 -0.977 20 0 IBADLO CCC(CC)(CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)SC ZINC000807773815 1073929803 /nfs/dbraw/zinc/92/98/03/1073929803.db2.gz GWRGROSWMYXNSI-UHFFFAOYSA-N 1 2 449.643 -0.339 20 0 IBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000807782580 1073925743 /nfs/dbraw/zinc/92/57/43/1073925743.db2.gz YOBDWTUPRKXVOT-UHFFFAOYSA-N 1 2 444.476 -0.403 20 0 IBADLO COCC[NH+]1CCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000807783898 1073928037 /nfs/dbraw/zinc/92/80/37/1073928037.db2.gz XKCNYMHTJJPNQM-UHFFFAOYSA-N 1 2 430.449 -0.793 20 0 IBADLO CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000807827541 1073931221 /nfs/dbraw/zinc/93/12/21/1073931221.db2.gz BICAHHZLKFARGK-DOTOQJQBSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000807827560 1073930973 /nfs/dbraw/zinc/93/09/73/1073930973.db2.gz BICAHHZLKFARGK-NVXWUHKLSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000807827561 1073930994 /nfs/dbraw/zinc/93/09/94/1073930994.db2.gz BICAHHZLKFARGK-RDJZCZTQSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000807827562 1073931181 /nfs/dbraw/zinc/93/11/81/1073931181.db2.gz BICAHHZLKFARGK-WBVHZDCISA-N 1 2 428.530 -0.489 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)C1 ZINC000807909714 1073933442 /nfs/dbraw/zinc/93/34/42/1073933442.db2.gz QNJXOZUCWQNDIC-AWEZNQCLSA-N 1 2 442.542 -0.316 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)C1 ZINC000807909715 1073933315 /nfs/dbraw/zinc/93/33/15/1073933315.db2.gz QNJXOZUCWQNDIC-CQSZACIVSA-N 1 2 442.542 -0.316 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000808015971 1073935738 /nfs/dbraw/zinc/93/57/38/1073935738.db2.gz TYTPZPZARZKTRW-UHFFFAOYSA-N 1 2 428.497 -0.946 20 0 IBADLO Cn1nccc1CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000808015971 1073935730 /nfs/dbraw/zinc/93/57/30/1073935730.db2.gz TYTPZPZARZKTRW-UHFFFAOYSA-N 1 2 428.497 -0.946 20 0 IBADLO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000808040414 1073935592 /nfs/dbraw/zinc/93/55/92/1073935592.db2.gz OLODFIWXUVTPPP-IKGGRYGDSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000808040415 1073935641 /nfs/dbraw/zinc/93/56/41/1073935641.db2.gz OLODFIWXUVTPPP-IXDOHACOSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000808040416 1073935574 /nfs/dbraw/zinc/93/55/74/1073935574.db2.gz OLODFIWXUVTPPP-ULQDDVLXSA-N 1 2 428.530 -0.489 20 0 IBADLO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000808040417 1073935745 /nfs/dbraw/zinc/93/57/45/1073935745.db2.gz OLODFIWXUVTPPP-YESZJQIVSA-N 1 2 428.530 -0.489 20 0 IBADLO Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000808210466 1073941669 /nfs/dbraw/zinc/94/16/69/1073941669.db2.gz WEFZFWOAXRMXIM-MOPGFXCFSA-N 1 2 446.548 -0.015 20 0 IBADLO Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000808210469 1073941740 /nfs/dbraw/zinc/94/17/40/1073941740.db2.gz WEFZFWOAXRMXIM-OALUTQOASA-N 1 2 446.548 -0.015 20 0 IBADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000808210549 1073941526 /nfs/dbraw/zinc/94/15/26/1073941526.db2.gz WEFZFWOAXRMXIM-RBUKOAKNSA-N 1 2 446.548 -0.015 20 0 IBADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000808210550 1073941684 /nfs/dbraw/zinc/94/16/84/1073941684.db2.gz WEFZFWOAXRMXIM-RTBURBONSA-N 1 2 446.548 -0.015 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808220323 1073940970 /nfs/dbraw/zinc/94/09/70/1073940970.db2.gz CTUHFWMTEOJWKF-MOPGFXCFSA-N 1 2 432.521 -0.555 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808220324 1073940905 /nfs/dbraw/zinc/94/09/05/1073940905.db2.gz CTUHFWMTEOJWKF-OALUTQOASA-N 1 2 432.521 -0.555 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808220325 1073941033 /nfs/dbraw/zinc/94/10/33/1073941033.db2.gz CTUHFWMTEOJWKF-RBUKOAKNSA-N 1 2 432.521 -0.555 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808220326 1073940874 /nfs/dbraw/zinc/94/08/74/1073940874.db2.gz CTUHFWMTEOJWKF-RTBURBONSA-N 1 2 432.521 -0.555 20 0 IBADLO CC(C)S(=O)(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000808235939 1073942313 /nfs/dbraw/zinc/94/23/13/1073942313.db2.gz LXIXMKINOYWDJC-UHFFFAOYSA-N 1 2 447.583 -0.344 20 0 IBADLO CC(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000808366499 1073945281 /nfs/dbraw/zinc/94/52/81/1073945281.db2.gz VOLLPFRTZZXMQW-UHFFFAOYSA-N 1 2 426.543 -0.032 20 0 IBADLO CC(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000808366499 1073945274 /nfs/dbraw/zinc/94/52/74/1073945274.db2.gz VOLLPFRTZZXMQW-UHFFFAOYSA-N 1 2 426.543 -0.032 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000808405297 1073945388 /nfs/dbraw/zinc/94/53/88/1073945388.db2.gz BAIWCGPABIUXSN-HNNXBMFYSA-N 1 2 428.530 -0.299 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000808405304 1073945429 /nfs/dbraw/zinc/94/54/29/1073945429.db2.gz BAIWCGPABIUXSN-OAHLLOKOSA-N 1 2 428.530 -0.299 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000808636135 1073947514 /nfs/dbraw/zinc/94/75/14/1073947514.db2.gz GFZWEWNHCZXEEK-UHFFFAOYSA-N 1 2 437.420 -0.154 20 0 IBADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000808771367 1073949122 /nfs/dbraw/zinc/94/91/22/1073949122.db2.gz XKIHEYSZCCZWCA-BRWVUGGUSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000808771369 1073949209 /nfs/dbraw/zinc/94/92/09/1073949209.db2.gz XKIHEYSZCCZWCA-IKGGRYGDSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000808771370 1073949248 /nfs/dbraw/zinc/94/92/48/1073949248.db2.gz XKIHEYSZCCZWCA-IXDOHACOSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000808771372 1073949143 /nfs/dbraw/zinc/94/91/43/1073949143.db2.gz XKIHEYSZCCZWCA-ZACQAIPSSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000809244530 1073956278 /nfs/dbraw/zinc/95/62/78/1073956278.db2.gz QNRLEVJWKDQAKH-BRWVUGGUSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000809244532 1073956207 /nfs/dbraw/zinc/95/62/07/1073956207.db2.gz QNRLEVJWKDQAKH-IKGGRYGDSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000809244534 1073956350 /nfs/dbraw/zinc/95/63/50/1073956350.db2.gz QNRLEVJWKDQAKH-IXDOHACOSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000809244536 1073956301 /nfs/dbraw/zinc/95/63/01/1073956301.db2.gz QNRLEVJWKDQAKH-ZACQAIPSSA-N 1 2 442.557 -0.100 20 0 IBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000809458189 1073961634 /nfs/dbraw/zinc/96/16/34/1073961634.db2.gz RXCDLTMGCQJTDZ-AWEZNQCLSA-N 1 2 442.501 -0.393 20 0 IBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000809458190 1073961617 /nfs/dbraw/zinc/96/16/17/1073961617.db2.gz RXCDLTMGCQJTDZ-CQSZACIVSA-N 1 2 442.501 -0.393 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000809774234 1073965172 /nfs/dbraw/zinc/96/51/72/1073965172.db2.gz POTKWBKSSCWOHU-KRWDZBQOSA-N 1 2 440.541 -0.179 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000809774235 1073964991 /nfs/dbraw/zinc/96/49/91/1073964991.db2.gz POTKWBKSSCWOHU-QGZVFWFLSA-N 1 2 440.541 -0.179 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000809935142 1073967708 /nfs/dbraw/zinc/96/77/08/1073967708.db2.gz IQVHKRIUBYAYLN-GOSISDBHSA-N 1 2 435.591 -0.628 20 0 IBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000809935143 1073967746 /nfs/dbraw/zinc/96/77/46/1073967746.db2.gz IQVHKRIUBYAYLN-SFHVURJKSA-N 1 2 435.591 -0.628 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000810067256 1073969429 /nfs/dbraw/zinc/96/94/29/1073969429.db2.gz ULXYZIXWNCDYKD-JTQLQIEISA-N 1 2 435.403 -0.249 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000810067256 1073969424 /nfs/dbraw/zinc/96/94/24/1073969424.db2.gz ULXYZIXWNCDYKD-JTQLQIEISA-N 1 2 435.403 -0.249 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000810067257 1073969465 /nfs/dbraw/zinc/96/94/65/1073969465.db2.gz ULXYZIXWNCDYKD-SNVBAGLBSA-N 1 2 435.403 -0.249 20 0 IBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000810067257 1073969462 /nfs/dbraw/zinc/96/94/62/1073969462.db2.gz ULXYZIXWNCDYKD-SNVBAGLBSA-N 1 2 435.403 -0.249 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000810149221 1073970687 /nfs/dbraw/zinc/97/06/87/1073970687.db2.gz BWZHIMLYIAIKJT-UHFFFAOYSA-N 1 2 433.328 -0.253 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000810149221 1073970681 /nfs/dbraw/zinc/97/06/81/1073970681.db2.gz BWZHIMLYIAIKJT-UHFFFAOYSA-N 1 2 433.328 -0.253 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000810149265 1073970446 /nfs/dbraw/zinc/97/04/46/1073970446.db2.gz DUFUCGKICUFMPW-UHFFFAOYSA-N 1 2 438.428 -0.117 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000810149265 1073970437 /nfs/dbraw/zinc/97/04/37/1073970437.db2.gz DUFUCGKICUFMPW-UHFFFAOYSA-N 1 2 438.428 -0.117 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000810149351 1073970640 /nfs/dbraw/zinc/97/06/40/1073970640.db2.gz HULYDBUYULCWRG-UHFFFAOYSA-N 1 2 433.328 -0.253 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000810149351 1073970631 /nfs/dbraw/zinc/97/06/31/1073970631.db2.gz HULYDBUYULCWRG-UHFFFAOYSA-N 1 2 433.328 -0.253 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000810375821 1073973582 /nfs/dbraw/zinc/97/35/82/1073973582.db2.gz FQAYOKYROJSSMU-UHFFFAOYSA-N 1 2 439.506 -0.132 20 0 IBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000810376016 1073973726 /nfs/dbraw/zinc/97/37/26/1073973726.db2.gz JAFMMDULRIJJAH-UHFFFAOYSA-N 1 2 445.563 -0.207 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000811216573 1073984026 /nfs/dbraw/zinc/98/40/26/1073984026.db2.gz LFIPIFHAHKIOKW-CYBMUJFWSA-N 1 2 426.451 -0.463 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000811216575 1073983936 /nfs/dbraw/zinc/98/39/36/1073983936.db2.gz LFIPIFHAHKIOKW-ZDUSSCGKSA-N 1 2 426.451 -0.463 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000811344751 1073985124 /nfs/dbraw/zinc/98/51/24/1073985124.db2.gz WZNGVRYJTDMJOD-CYBMUJFWSA-N 1 2 439.480 -0.511 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC000811344760 1073985193 /nfs/dbraw/zinc/98/51/93/1073985193.db2.gz WZNGVRYJTDMJOD-ZDUSSCGKSA-N 1 2 439.480 -0.511 20 0 IBADLO COCC1(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOCC1 ZINC000811432570 1073986201 /nfs/dbraw/zinc/98/62/01/1073986201.db2.gz XTYALSAWBJMNBO-UHFFFAOYSA-N 1 2 432.481 -0.002 20 0 IBADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000811917946 1073992326 /nfs/dbraw/zinc/99/23/26/1073992326.db2.gz VERGDTPRIUOVIA-UHFFFAOYSA-N 1 2 436.513 -0.669 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812837695 1073999481 /nfs/dbraw/zinc/99/94/81/1073999481.db2.gz HQANDFDBQOTVKU-UHFFFAOYSA-N 1 2 436.552 -0.186 20 0 IBADLO CCOC(=O)Nc1scnc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000813407795 1074003674 /nfs/dbraw/zinc/00/36/74/1074003674.db2.gz MEUSOSZIARXQDZ-UHFFFAOYSA-N 1 2 446.555 -0.039 20 0 IBADLO COC(=O)[C@H]1[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000813580923 1074005101 /nfs/dbraw/zinc/00/51/01/1074005101.db2.gz OXPQAPSPRSYJKI-QLPKVWCKSA-N 1 2 437.522 -0.406 20 0 IBADLO COC(=O)[C@H]1[C@@H]2CN(c3nc(N4C[C@H]5[C@H](C(=O)OC)[C@H]5C4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC000813621330 1074005575 /nfs/dbraw/zinc/00/55/75/1074005575.db2.gz SSZACSGNPVGXCW-FRMPLNAESA-N 1 2 444.492 -0.581 20 0 IBADLO COC(=O)[C@H]1[C@@H]2CN(c3nc(N4CCOCC4)nc(N4C[C@H]5[C@H](C(=O)OC)[C@H]5C4)[nH+]3)C[C@@H]21 ZINC000813621330 1074005566 /nfs/dbraw/zinc/00/55/66/1074005566.db2.gz SSZACSGNPVGXCW-FRMPLNAESA-N 1 2 444.492 -0.581 20 0 IBADLO COCCNc1nc(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)[nH+]c(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)n1 ZINC000813624726 1074005504 /nfs/dbraw/zinc/00/55/04/1074005504.db2.gz HHTHVVDGEBIUBY-AEZKZLSMSA-N 1 2 432.481 -0.938 20 0 IBADLO COC(=O)[C@H](F)C(NCCC[NH+]1CCOCC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814363988 1074014369 /nfs/dbraw/zinc/01/43/69/1074014369.db2.gz YMALWASDLDBOCX-JNINTMOKSA-N 1 2 444.529 -0.037 20 0 IBADLO COC(=O)[C@@H](F)C(NCCC[NH+]1CCOCC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814363989 1074014827 /nfs/dbraw/zinc/01/48/27/1074014827.db2.gz YMALWASDLDBOCX-MRPLLJTBSA-N 1 2 444.529 -0.037 20 0 IBADLO COC(=O)[C@@H](F)C(NCCC[NH+]1CCOCC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814363990 1074014858 /nfs/dbraw/zinc/01/48/58/1074014858.db2.gz YMALWASDLDBOCX-RHIYTYFCSA-N 1 2 444.529 -0.037 20 0 IBADLO COC(=O)[C@H](F)C(NCCC[NH+]1CCOCC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814363991 1074014901 /nfs/dbraw/zinc/01/49/01/1074014901.db2.gz YMALWASDLDBOCX-SXWSKBOKSA-N 1 2 444.529 -0.037 20 0 IBADLO COC(=O)c1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c[nH]1 ZINC000814532057 1074015967 /nfs/dbraw/zinc/01/59/67/1074015967.db2.gz MDWYGHCIOAUKFB-UHFFFAOYSA-N 1 2 427.421 -0.016 20 0 IBADLO NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000815261663 1074020333 /nfs/dbraw/zinc/02/03/33/1074020333.db2.gz CPOVXUTXGUCJRV-INIZCTEOSA-N 1 2 440.522 -0.084 20 0 IBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000815261665 1074020350 /nfs/dbraw/zinc/02/03/50/1074020350.db2.gz CPOVXUTXGUCJRV-MRXNPFEDSA-N 1 2 440.522 -0.084 20 0 IBADLO NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000815264230 1074020657 /nfs/dbraw/zinc/02/06/57/1074020657.db2.gz ULKQPYKZRQOBDM-AWEZNQCLSA-N 1 2 430.552 -0.149 20 0 IBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000815264231 1074020897 /nfs/dbraw/zinc/02/08/97/1074020897.db2.gz ULKQPYKZRQOBDM-CQSZACIVSA-N 1 2 430.552 -0.149 20 0 IBADLO NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000815265640 1074021873 /nfs/dbraw/zinc/02/18/73/1074021873.db2.gz VIOZBEBQTFXAKI-HNNXBMFYSA-N 1 2 430.552 -0.149 20 0 IBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000815265642 1074021827 /nfs/dbraw/zinc/02/18/27/1074021827.db2.gz VIOZBEBQTFXAKI-OAHLLOKOSA-N 1 2 430.552 -0.149 20 0 IBADLO Cn1cnn(CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1=O ZINC000815269290 1074022446 /nfs/dbraw/zinc/02/24/46/1074022446.db2.gz AIMUVBKGKBIABJ-UHFFFAOYSA-N 1 2 429.477 -0.206 20 0 IBADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C ZINC000815401176 1074024314 /nfs/dbraw/zinc/02/43/14/1074024314.db2.gz PCHWICVTDIZZKB-UHFFFAOYSA-N 1 2 441.448 -0.006 20 0 IBADLO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cn2)CC1 ZINC000815577286 1074027832 /nfs/dbraw/zinc/02/78/32/1074027832.db2.gz LXBIJDFNTQBNHQ-HNNXBMFYSA-N 1 2 434.497 -0.567 20 0 IBADLO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cn2)CC1 ZINC000815577286 1074027824 /nfs/dbraw/zinc/02/78/24/1074027824.db2.gz LXBIJDFNTQBNHQ-HNNXBMFYSA-N 1 2 434.497 -0.567 20 0 IBADLO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cn2)CC1 ZINC000815577287 1074027913 /nfs/dbraw/zinc/02/79/13/1074027913.db2.gz LXBIJDFNTQBNHQ-OAHLLOKOSA-N 1 2 434.497 -0.567 20 0 IBADLO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cn2)CC1 ZINC000815577287 1074027906 /nfs/dbraw/zinc/02/79/06/1074027906.db2.gz LXBIJDFNTQBNHQ-OAHLLOKOSA-N 1 2 434.497 -0.567 20 0 IBADLO Cn1ncc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1I ZINC000815642992 1074029499 /nfs/dbraw/zinc/02/94/99/1074029499.db2.gz QOFTZVVZIXBUTR-LLVKDONJSA-N 1 2 447.277 -0.312 20 0 IBADLO Cn1ncc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1I ZINC000815642993 1074029449 /nfs/dbraw/zinc/02/94/49/1074029449.db2.gz QOFTZVVZIXBUTR-NSHDSACASA-N 1 2 447.277 -0.312 20 0 IBADLO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Cl)cn1 ZINC000816928032 1074041994 /nfs/dbraw/zinc/04/19/94/1074041994.db2.gz SJNJHELHIVPCJU-GFCCVEGCSA-N 1 2 430.914 -0.199 20 0 IBADLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Cl)cn1 ZINC000816928033 1074041814 /nfs/dbraw/zinc/04/18/14/1074041814.db2.gz SJNJHELHIVPCJU-LBPRGKRZSA-N 1 2 430.914 -0.199 20 0 IBADLO C[C@H](O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCc1ccccc1 ZINC000817242302 1074042563 /nfs/dbraw/zinc/04/25/63/1074042563.db2.gz WZWJWYMCZDMOIP-HQRMLTQVSA-N 1 2 433.505 -0.224 20 0 IBADLO C[C@H](O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCc1ccccc1 ZINC000817242303 1074042715 /nfs/dbraw/zinc/04/27/15/1074042715.db2.gz WZWJWYMCZDMOIP-QRFRQXIXSA-N 1 2 433.505 -0.224 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000818060013 1074044534 /nfs/dbraw/zinc/04/45/34/1074044534.db2.gz SCTAWDQTEWTXCF-UHFFFAOYSA-N 1 2 428.478 -0.491 20 0 IBADLO CCOC(=O)C=c1sc(=Cc2c[nH+]c(N(C)C)n2C)c(=O)n1CC(=O)N(CC)CC ZINC000821031420 1074053789 /nfs/dbraw/zinc/05/37/89/1074053789.db2.gz JMGHVFCBGKCSFF-UHFFFAOYSA-N 1 2 435.550 -0.250 20 0 IBADLO CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000821562974 1074054990 /nfs/dbraw/zinc/05/49/90/1074054990.db2.gz AQEQOQPXLXHKRM-UHFFFAOYSA-N 1 2 434.544 -0.510 20 0 IBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(CO)CO)cc2Br)CC1 ZINC000821571536 1074054970 /nfs/dbraw/zinc/05/49/70/1074054970.db2.gz SSVJYPNBDBYQJH-UHFFFAOYSA-N 1 2 429.315 -0.001 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)c2ccccc2)CC1 ZINC000821713592 1074055870 /nfs/dbraw/zinc/05/58/70/1074055870.db2.gz GSRGRIKJCCFKLQ-UHFFFAOYSA-N 1 2 437.460 -0.015 20 0 IBADLO C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000852663046 1074422955 /nfs/dbraw/zinc/42/29/55/1074422955.db2.gz BTIJJZPEUHIBQB-ZDUSSCGKSA-N 1 2 441.448 -0.033 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000853861737 1074426632 /nfs/dbraw/zinc/42/66/32/1074426632.db2.gz DKQWJPMARRJPBB-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccccc2-n2cnnn2)CC1 ZINC000853954212 1074426770 /nfs/dbraw/zinc/42/67/70/1074426770.db2.gz WCDRJNDQTSVMHA-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CN2CCCCCC2=O)CC1 ZINC000854241589 1074428440 /nfs/dbraw/zinc/42/84/40/1074428440.db2.gz QNRJYUOYXAOVKN-UHFFFAOYSA-N 1 2 429.481 -0.042 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000854731338 1074429168 /nfs/dbraw/zinc/42/91/68/1074429168.db2.gz CSXLVKKOJCLMPZ-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCNC(=O)c2ccco2)CC1 ZINC000855108229 1074430658 /nfs/dbraw/zinc/43/06/58/1074430658.db2.gz VKTFDFQRVPOLEY-UHFFFAOYSA-N 1 2 441.448 -0.032 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@]23CCC(=O)N2CCS3)CC1 ZINC000856531628 1074436316 /nfs/dbraw/zinc/43/63/16/1074436316.db2.gz AZYRCTRLGBYDJB-IBGZPJMESA-N 1 2 445.505 -0.379 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@]23CCC(=O)N2CCS3)CC1 ZINC000856531632 1074436356 /nfs/dbraw/zinc/43/63/56/1074436356.db2.gz AZYRCTRLGBYDJB-LJQANCHMSA-N 1 2 445.505 -0.379 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856535753 1074436956 /nfs/dbraw/zinc/43/69/56/1074436956.db2.gz IEYZMDWUWCAUEL-RBUKOAKNSA-N 1 2 444.580 -0.104 20 0 IBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856535753 1074436953 /nfs/dbraw/zinc/43/69/53/1074436953.db2.gz IEYZMDWUWCAUEL-RBUKOAKNSA-N 1 2 444.580 -0.104 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856544909 1074437070 /nfs/dbraw/zinc/43/70/70/1074437070.db2.gz SSMQWCXFLZYMJX-ZWKOTPCHSA-N 1 2 445.545 -0.157 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856544909 1074437067 /nfs/dbraw/zinc/43/70/67/1074437067.db2.gz SSMQWCXFLZYMJX-ZWKOTPCHSA-N 1 2 445.545 -0.157 20 0 IBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856608064 1074437099 /nfs/dbraw/zinc/43/70/99/1074437099.db2.gz IHNIANFCICJQMM-CEXWTWQISA-N 1 2 429.521 -0.456 20 0 IBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856608065 1074436964 /nfs/dbraw/zinc/43/69/64/1074436964.db2.gz IHNIANFCICJQMM-GBESFXJTSA-N 1 2 429.521 -0.456 20 0 IBADLO CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC000856702845 1074438455 /nfs/dbraw/zinc/43/84/55/1074438455.db2.gz BQPVEIWSSQRSSC-HRAATJIYSA-N 1 2 435.525 -0.291 20 0 IBADLO CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC000856702846 1074438342 /nfs/dbraw/zinc/43/83/42/1074438342.db2.gz BQPVEIWSSQRSSC-IERDGZPVSA-N 1 2 435.525 -0.291 20 0 IBADLO CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC000856702847 1074439063 /nfs/dbraw/zinc/43/90/63/1074439063.db2.gz BQPVEIWSSQRSSC-IIBYNOLFSA-N 1 2 435.525 -0.291 20 0 IBADLO CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC000856702848 1074438883 /nfs/dbraw/zinc/43/88/83/1074438883.db2.gz BQPVEIWSSQRSSC-KKSFZXQISA-N 1 2 435.525 -0.291 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000857750565 1074443942 /nfs/dbraw/zinc/44/39/42/1074443942.db2.gz DQNFXXNFJFYQST-UHFFFAOYSA-N 1 2 429.437 -0.906 20 0 IBADLO CC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000857755712 1074444441 /nfs/dbraw/zinc/44/44/41/1074444441.db2.gz QMZXMLSXIYGBQE-HNNXBMFYSA-N 1 2 429.481 -0.186 20 0 IBADLO CC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000857755713 1074444535 /nfs/dbraw/zinc/44/45/35/1074444535.db2.gz QMZXMLSXIYGBQE-OAHLLOKOSA-N 1 2 429.481 -0.186 20 0 IBADLO Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000857828819 1074444615 /nfs/dbraw/zinc/44/46/15/1074444615.db2.gz ONHZYGRGQTWVPW-UHFFFAOYSA-N 1 2 440.464 -0.212 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(-n3cncn3)nc2)CC1 ZINC000863899934 1074451842 /nfs/dbraw/zinc/45/18/42/1074451842.db2.gz YCXQEDXFWOCDIL-UHFFFAOYSA-N 1 2 448.447 -0.155 20 0 IBADLO Cc1nn(C)c(=O)c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C ZINC000878590206 1074470173 /nfs/dbraw/zinc/47/01/73/1074470173.db2.gz IDZWUPPWXSSZDB-UHFFFAOYSA-N 1 2 440.464 -0.421 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000914535728 1072649238 /nfs/dbraw/zinc/64/92/38/1072649238.db2.gz FUUCMKHMGXWLIT-HNNXBMFYSA-N 1 2 446.957 -0.055 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000914535729 1072649308 /nfs/dbraw/zinc/64/93/08/1072649308.db2.gz FUUCMKHMGXWLIT-OAHLLOKOSA-N 1 2 446.957 -0.055 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000914535799 1072649262 /nfs/dbraw/zinc/64/92/62/1072649262.db2.gz MDXRPPQVTGOBHQ-AWEZNQCLSA-N 1 2 431.486 -0.731 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000914535800 1072649425 /nfs/dbraw/zinc/64/94/25/1072649425.db2.gz MDXRPPQVTGOBHQ-CQSZACIVSA-N 1 2 431.486 -0.731 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000914535843 1072649368 /nfs/dbraw/zinc/64/93/68/1072649368.db2.gz QUOYFUZWVUCGHA-AWEZNQCLSA-N 1 2 447.941 -0.216 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000914535844 1072649345 /nfs/dbraw/zinc/64/93/45/1072649345.db2.gz QUOYFUZWVUCGHA-CQSZACIVSA-N 1 2 447.941 -0.216 20 0 IBADLO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000914535863 1072649296 /nfs/dbraw/zinc/64/92/96/1072649296.db2.gz RZWOMBZTDJIDGT-CYBMUJFWSA-N 1 2 435.930 -0.312 20 0 IBADLO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000914535864 1072649325 /nfs/dbraw/zinc/64/93/25/1072649325.db2.gz RZWOMBZTDJIDGT-ZDUSSCGKSA-N 1 2 435.930 -0.312 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000914535911 1072649251 /nfs/dbraw/zinc/64/92/51/1072649251.db2.gz WOBIHDQYZUQWSN-INIZCTEOSA-N 1 2 436.534 -0.343 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000914535912 1072649334 /nfs/dbraw/zinc/64/93/34/1072649334.db2.gz WOBIHDQYZUQWSN-MRXNPFEDSA-N 1 2 436.534 -0.343 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000914536742 1072649903 /nfs/dbraw/zinc/64/99/03/1072649903.db2.gz ANWXCAXEYMRKCU-CYBMUJFWSA-N 1 2 426.520 -0.279 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000914536768 1072649776 /nfs/dbraw/zinc/64/97/76/1072649776.db2.gz ANWXCAXEYMRKCU-ZDUSSCGKSA-N 1 2 426.520 -0.279 20 0 IBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000914542036 1072649838 /nfs/dbraw/zinc/64/98/38/1072649838.db2.gz NCCKSVYWIGOJBS-HNNXBMFYSA-N 1 2 431.486 -0.731 20 0 IBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000914542037 1072649896 /nfs/dbraw/zinc/64/98/96/1072649896.db2.gz NCCKSVYWIGOJBS-OAHLLOKOSA-N 1 2 431.486 -0.731 20 0 IBADLO COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000914662345 1072659532 /nfs/dbraw/zinc/65/95/32/1072659532.db2.gz RTXNDWRFDVHKLI-AWEZNQCLSA-N 1 2 445.480 -0.950 20 0 IBADLO COCCN1C[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000914662347 1072659526 /nfs/dbraw/zinc/65/95/26/1072659526.db2.gz RTXNDWRFDVHKLI-CQSZACIVSA-N 1 2 445.480 -0.950 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2nsnc2N2CCOCC2)CC1 ZINC000914685890 1072662426 /nfs/dbraw/zinc/66/24/26/1072662426.db2.gz RSLMRPBDPQIDJW-UHFFFAOYSA-N 1 2 445.509 -0.221 20 0 IBADLO CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000914771690 1072664070 /nfs/dbraw/zinc/66/40/70/1072664070.db2.gz UQFWBVFEFKZQDG-UHFFFAOYSA-N 1 2 431.559 -0.509 20 0 IBADLO CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000914789120 1072665118 /nfs/dbraw/zinc/66/51/18/1072665118.db2.gz JGEDYBVQYXURRZ-UHFFFAOYSA-N 1 2 430.531 -0.914 20 0 IBADLO NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000914898725 1072672696 /nfs/dbraw/zinc/67/26/96/1072672696.db2.gz UNDKXZZGJLZOFH-UHFFFAOYSA-N 1 2 440.522 -0.084 20 0 IBADLO NS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000914899074 1072672504 /nfs/dbraw/zinc/67/25/04/1072672504.db2.gz VLOFOVQAHQOCFQ-UHFFFAOYSA-N 1 2 430.552 -0.149 20 0 IBADLO CN(CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ncccn1 ZINC000914928781 1072675443 /nfs/dbraw/zinc/67/54/43/1072675443.db2.gz YNLHNZWEAHIJHN-UHFFFAOYSA-N 1 2 425.453 -0.519 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000915037255 1072680322 /nfs/dbraw/zinc/68/03/22/1072680322.db2.gz IPQSSSKJMPLMGW-UHFFFAOYSA-N 1 2 449.449 -0.891 20 0 IBADLO CCOC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000915068568 1072680918 /nfs/dbraw/zinc/68/09/18/1072680918.db2.gz PNEOINXDUMLPQH-INIZCTEOSA-N 1 2 431.559 -0.509 20 0 IBADLO CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000915068569 1072680941 /nfs/dbraw/zinc/68/09/41/1072680941.db2.gz PNEOINXDUMLPQH-MRXNPFEDSA-N 1 2 431.559 -0.509 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915088369 1072681502 /nfs/dbraw/zinc/68/15/02/1072681502.db2.gz OCZCPSJEIOPCSM-KBXCAEBGSA-N 1 2 444.579 -0.524 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915088370 1072681495 /nfs/dbraw/zinc/68/14/95/1072681495.db2.gz OCZCPSJEIOPCSM-KDOFPFPSSA-N 1 2 444.579 -0.524 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915088371 1072681999 /nfs/dbraw/zinc/68/19/99/1072681999.db2.gz OCZCPSJEIOPCSM-KSSFIOAISA-N 1 2 444.579 -0.524 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000915088372 1072682110 /nfs/dbraw/zinc/68/21/10/1072682110.db2.gz OCZCPSJEIOPCSM-RDTXWAMCSA-N 1 2 444.579 -0.524 20 0 IBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000915191618 1072685094 /nfs/dbraw/zinc/68/50/94/1072685094.db2.gz JFARDRRFQYRDRI-UHFFFAOYSA-N 1 2 429.477 -0.273 20 0 IBADLO COc1ccc2c(c1)N(CN1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C(=O)C2=O ZINC000915207535 1072685811 /nfs/dbraw/zinc/68/58/11/1072685811.db2.gz GIJLWMFZVOUROE-UHFFFAOYSA-N 1 2 437.522 -0.708 20 0 IBADLO Cc1cc(C)n2c(nn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2=S)n1 ZINC000915207572 1072685781 /nfs/dbraw/zinc/68/57/81/1072685781.db2.gz CRFZDLZSNYCBJB-UHFFFAOYSA-N 1 2 440.599 -0.056 20 0 IBADLO Cc1cc2c(c(F)c1)N(CN1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C(=O)C2=O ZINC000915209216 1072685714 /nfs/dbraw/zinc/68/57/14/1072685714.db2.gz UAYNDNBIVCUIAE-UHFFFAOYSA-N 1 2 439.513 -0.269 20 0 IBADLO Cc1cc(C)n2c(nc(=S)n2CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000915209258 1072686470 /nfs/dbraw/zinc/68/64/70/1072686470.db2.gz UXTSMFOYXRNEOT-UHFFFAOYSA-N 1 2 440.599 -0.056 20 0 IBADLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000915209393 1072686385 /nfs/dbraw/zinc/68/63/85/1072686385.db2.gz VHECMQPFBHNXKX-UHFFFAOYSA-N 1 2 435.550 -0.100 20 0 IBADLO Cn1c(=O)ccn(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1=O ZINC000915235746 1072687030 /nfs/dbraw/zinc/68/70/30/1072687030.db2.gz LOLXKSMBUDGRQG-UHFFFAOYSA-N 1 2 430.461 -0.761 20 0 IBADLO CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000915268883 1072689287 /nfs/dbraw/zinc/68/92/87/1072689287.db2.gz BOJTTZORIUUFLD-KNTRCKAVSA-N 1 2 435.550 -0.200 20 0 IBADLO CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000915268884 1072689245 /nfs/dbraw/zinc/68/92/45/1072689245.db2.gz BOJTTZORIUUFLD-MNDPQUGUSA-N 1 2 435.550 -0.200 20 0 IBADLO COC(=O)CCCNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000915272529 1072689761 /nfs/dbraw/zinc/68/97/61/1072689761.db2.gz BBCSEMHDHWISII-UHFFFAOYSA-N 1 2 429.568 -0.049 20 0 IBADLO CCOC(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000915360913 1072694184 /nfs/dbraw/zinc/69/41/84/1072694184.db2.gz UJXFHWWTHPZJOB-UHFFFAOYSA-N 1 2 439.538 -0.243 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCCNC(=O)C2CC2)CC1 ZINC000915423044 1072699338 /nfs/dbraw/zinc/69/93/38/1072699338.db2.gz FJRPMQUSMACCLM-UHFFFAOYSA-N 1 2 429.481 -0.139 20 0 IBADLO Cc1nc(C)c(CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(=O)[nH]1 ZINC000915464608 1072701554 /nfs/dbraw/zinc/70/15/54/1072701554.db2.gz IVVFOJQUHRNRIT-UHFFFAOYSA-N 1 2 440.464 -0.090 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCCN2C(=O)CCC2=O)CC1 ZINC000915555960 1072708943 /nfs/dbraw/zinc/70/89/43/1072708943.db2.gz DOGCIEYRFSPVCA-UHFFFAOYSA-N 1 2 443.464 -0.516 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1 ZINC000915654100 1072711449 /nfs/dbraw/zinc/71/14/49/1072711449.db2.gz CPPLROSEVJNROP-UHFFFAOYSA-N 1 2 429.502 -0.073 20 0 IBADLO CCOC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000915878925 1072722490 /nfs/dbraw/zinc/72/24/90/1072722490.db2.gz VLGSJKJFNWDAAT-UHFFFAOYSA-N 1 2 446.574 -0.573 20 0 IBADLO COC(=O)CCCCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000916633815 1072741051 /nfs/dbraw/zinc/74/10/51/1072741051.db2.gz LGPGOIJXWSBZKM-UHFFFAOYSA-N 1 2 433.575 -0.071 20 0 IBADLO CC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000917052976 1072756274 /nfs/dbraw/zinc/75/62/74/1072756274.db2.gz ILKLROQYEAEULC-IBGZPJMESA-N 1 2 440.566 -0.261 20 0 IBADLO CC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000917052977 1072756255 /nfs/dbraw/zinc/75/62/55/1072756255.db2.gz ILKLROQYEAEULC-LJQANCHMSA-N 1 2 440.566 -0.261 20 0 IBADLO COc1ccc(OC)c([C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000917053214 1072756386 /nfs/dbraw/zinc/75/63/86/1072756386.db2.gz SSAVOTUYVVKUMU-GOSISDBHSA-N 1 2 428.555 -0.153 20 0 IBADLO COc1ccc(OC)c([C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000917053215 1072756095 /nfs/dbraw/zinc/75/60/95/1072756095.db2.gz SSAVOTUYVVKUMU-SFHVURJKSA-N 1 2 428.555 -0.153 20 0 IBADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000917080341 1072757412 /nfs/dbraw/zinc/75/74/12/1072757412.db2.gz GHJFZVNJZWDJCT-UHFFFAOYSA-N 1 2 441.558 -0.972 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000917130890 1072759775 /nfs/dbraw/zinc/75/97/75/1072759775.db2.gz ONCMUBPVRWAYKZ-UHFFFAOYSA-N 1 2 448.524 -0.571 20 0 IBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000917130996 1072760382 /nfs/dbraw/zinc/76/03/82/1072760382.db2.gz FOYRLBBWXKFBBE-UHFFFAOYSA-N 1 2 434.497 -0.915 20 0 IBADLO CC(C)(CNC(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000917132045 1072760200 /nfs/dbraw/zinc/76/02/00/1072760200.db2.gz HCZJVGRQUSAOQL-UHFFFAOYSA-N 1 2 449.577 -0.020 20 0 IBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(N4CCNC4=O)CC3)C2=O)cc1 ZINC000917163994 1072762424 /nfs/dbraw/zinc/76/24/24/1072762424.db2.gz JKFLMEDWXHWSTI-NRFANRHFSA-N 1 2 444.492 -0.017 20 0 IBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(N4CCNC4=O)CC3)C2=O)cc1 ZINC000917163996 1072762391 /nfs/dbraw/zinc/76/23/91/1072762391.db2.gz JKFLMEDWXHWSTI-OAQYLSRUSA-N 1 2 444.492 -0.017 20 0 IBADLO CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000917326102 1072769539 /nfs/dbraw/zinc/76/95/39/1072769539.db2.gz RIOGPMYSVHFJKE-UHFFFAOYSA-N 1 2 434.497 -0.647 20 0 IBADLO Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000917500558 1072778723 /nfs/dbraw/zinc/77/87/23/1072778723.db2.gz UKLXMQCZCQBEBK-UHFFFAOYSA-N 1 2 435.348 -0.269 20 0 IBADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000917651918 1072784208 /nfs/dbraw/zinc/78/42/08/1072784208.db2.gz GUSWBPBXSXOCRW-UHFFFAOYSA-N 1 2 440.979 -0.820 20 0 IBADLO COC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000918067019 1072799790 /nfs/dbraw/zinc/79/97/90/1072799790.db2.gz USFOEQLYRFCZPA-UHFFFAOYSA-N 1 2 440.526 -0.373 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1=O ZINC000918107088 1072800449 /nfs/dbraw/zinc/80/04/49/1072800449.db2.gz FNHNLPKIBLQIOK-UHFFFAOYSA-N 1 2 437.504 -0.089 20 0 IBADLO NC(=O)[C@H]1CC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)=NN1c1ccc(F)cc1 ZINC000918107879 1072800281 /nfs/dbraw/zinc/80/02/81/1072800281.db2.gz ZGGHXEXHPBTICY-GOSISDBHSA-N 1 2 440.483 -0.026 20 0 IBADLO NC(=O)[C@@H]1CC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)=NN1c1ccc(F)cc1 ZINC000918107880 1072800483 /nfs/dbraw/zinc/80/04/83/1072800483.db2.gz ZGGHXEXHPBTICY-SFHVURJKSA-N 1 2 440.483 -0.026 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cnc2n(C)c1=O ZINC000918276744 1072805789 /nfs/dbraw/zinc/80/57/89/1072805789.db2.gz VUMNXBSEMHEVNA-AWEZNQCLSA-N 1 2 427.465 -0.002 20 0 IBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cnc2n(C)c1=O ZINC000918276745 1072805850 /nfs/dbraw/zinc/80/58/50/1072805850.db2.gz VUMNXBSEMHEVNA-CQSZACIVSA-N 1 2 427.465 -0.002 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000918404325 1072813937 /nfs/dbraw/zinc/81/39/37/1072813937.db2.gz YHQMZNCJHVPNGU-UHFFFAOYSA-N 1 2 433.436 -0.374 20 0 IBADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1)N1CCCC1 ZINC000918412779 1072815027 /nfs/dbraw/zinc/81/50/27/1072815027.db2.gz HKJSADJMSKPLHP-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1)N1CCCC1 ZINC000918412779 1072815019 /nfs/dbraw/zinc/81/50/19/1072815019.db2.gz HKJSADJMSKPLHP-UHFFFAOYSA-N 1 2 426.481 -0.243 20 0 IBADLO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000918623713 1072831072 /nfs/dbraw/zinc/83/10/72/1072831072.db2.gz VGCQMSBBSMWKBH-UHFFFAOYSA-N 1 2 430.490 -0.441 20 0 IBADLO O=C(CC[C@@H]1NC(=O)NC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918990763 1072854153 /nfs/dbraw/zinc/85/41/53/1072854153.db2.gz PMWKQUCKYCPOCI-INIZCTEOSA-N 1 2 430.461 -0.203 20 0 IBADLO O=C(CC[C@H]1NC(=O)NC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918990769 1072854098 /nfs/dbraw/zinc/85/40/98/1072854098.db2.gz PMWKQUCKYCPOCI-MRXNPFEDSA-N 1 2 430.461 -0.203 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)CN3C(=O)CN(C)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000919018508 1072855376 /nfs/dbraw/zinc/85/53/76/1072855376.db2.gz HGNMWHGXGYVWEC-UHFFFAOYSA-N 1 2 432.481 -0.006 20 0 IBADLO CN1CC(=O)N(CC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000919019119 1072855597 /nfs/dbraw/zinc/85/55/97/1072855597.db2.gz PHPKVPOKWSELCD-UHFFFAOYSA-N 1 2 430.461 -0.297 20 0 IBADLO NS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000919064325 1072859619 /nfs/dbraw/zinc/85/96/19/1072859619.db2.gz QEDYHADAOQXFEN-UHFFFAOYSA-N 1 2 430.552 -0.149 20 0 IBADLO CS(=O)(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919071563 1072858159 /nfs/dbraw/zinc/85/81/59/1072858159.db2.gz IMOKJNMSGCJOHI-UHFFFAOYSA-N 1 2 425.507 -0.252 20 0 IBADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)S(C)(=O)=O ZINC000919082965 1072859226 /nfs/dbraw/zinc/85/92/26/1072859226.db2.gz HNZJREHBJUNBEK-UHFFFAOYSA-N 1 2 425.507 -0.300 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)CN(C)S(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000919082996 1072859050 /nfs/dbraw/zinc/85/90/50/1072859050.db2.gz JBPVNZRJKYOMSJ-UHFFFAOYSA-N 1 2 427.527 -0.008 20 0 IBADLO Cn1c(=O)ccn(CC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1=O ZINC000919101905 1072860559 /nfs/dbraw/zinc/86/05/59/1072860559.db2.gz DGWVTIWXZPFVPA-UHFFFAOYSA-N 1 2 442.472 -0.631 20 0 IBADLO Cc1cc(N2CCN(C(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000919102226 1072860637 /nfs/dbraw/zinc/86/06/37/1072860637.db2.gz IXBMILCHLWDHOU-UHFFFAOYSA-N 1 2 444.492 -0.339 20 0 IBADLO Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000919128259 1072864972 /nfs/dbraw/zinc/86/49/72/1072864972.db2.gz FIYXZQPFUVFUSF-UHFFFAOYSA-N 1 2 441.535 -0.353 20 0 IBADLO O=C(COC(=O)CN1CCS(=O)(=O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000919136126 1072863470 /nfs/dbraw/zinc/86/34/70/1072863470.db2.gz ANWLYVCABSPIAY-UHFFFAOYSA-N 1 2 439.534 -0.591 20 0 IBADLO O=C(COC(=O)CN1CCS(=O)(=O)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000919136989 1072863556 /nfs/dbraw/zinc/86/35/56/1072863556.db2.gz KCSXJBKATJRQBF-UHFFFAOYSA-N 1 2 425.507 -0.269 20 0 IBADLO CCN1CCN(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C(=O)C1=O ZINC000919147653 1072867533 /nfs/dbraw/zinc/86/75/33/1072867533.db2.gz RZFFRIPJIFUBGK-UHFFFAOYSA-N 1 2 446.504 -0.631 20 0 IBADLO CCN1CCN(CC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(=O)C1=O ZINC000919148202 1072867898 /nfs/dbraw/zinc/86/78/98/1072867898.db2.gz WKRKRRGMKNKXEU-UHFFFAOYSA-N 1 2 432.477 -0.309 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCn2ccccc2=O)CC1 ZINC000919256038 1072872190 /nfs/dbraw/zinc/87/21/90/1072872190.db2.gz IJTQNJULRAQAFA-UHFFFAOYSA-N 1 2 425.449 -0.193 20 0 IBADLO C[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1C(=O)CCC1=O ZINC000919258877 1072872713 /nfs/dbraw/zinc/87/27/13/1072872713.db2.gz FOSXHPZPLNHRHI-GFCCVEGCSA-N 1 2 429.437 -0.907 20 0 IBADLO C[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1C(=O)CCC1=O ZINC000919258882 1072872767 /nfs/dbraw/zinc/87/27/67/1072872767.db2.gz FOSXHPZPLNHRHI-LBPRGKRZSA-N 1 2 429.437 -0.907 20 0 IBADLO CC(C)CS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919333002 1072882402 /nfs/dbraw/zinc/88/24/02/1072882402.db2.gz CBWUGPAWTFLZHN-UHFFFAOYSA-N 1 2 438.510 -0.374 20 0 IBADLO O=C(COC(=O)CN1CCCS1(=O)=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000919362655 1072885340 /nfs/dbraw/zinc/88/53/40/1072885340.db2.gz FBSDKXSGSIFUCR-UHFFFAOYSA-N 1 2 425.507 -0.286 20 0 IBADLO O=C(CN1CCCS1(=O)=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919363143 1072885163 /nfs/dbraw/zinc/88/51/63/1072885163.db2.gz VMKPHOIWPIHJBZ-UHFFFAOYSA-N 1 2 437.518 -0.156 20 0 IBADLO Cc1occc1C(=O)NCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919480293 1072892554 /nfs/dbraw/zinc/89/25/54/1072892554.db2.gz CFWLEUSYPIXSQZ-UHFFFAOYSA-N 1 2 441.448 -0.113 20 0 IBADLO C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919485380 1072893093 /nfs/dbraw/zinc/89/30/93/1072893093.db2.gz SDILIUCIBFIAEN-CYBMUJFWSA-N 1 2 441.448 -0.033 20 0 IBADLO C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919485382 1072893018 /nfs/dbraw/zinc/89/30/18/1072893018.db2.gz SDILIUCIBFIAEN-ZDUSSCGKSA-N 1 2 441.448 -0.033 20 0 IBADLO CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919508468 1072893728 /nfs/dbraw/zinc/89/37/28/1072893728.db2.gz SGDHXOJDKMHTKW-UHFFFAOYSA-N 1 2 432.477 -0.939 20 0 IBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000919939484 1072927239 /nfs/dbraw/zinc/92/72/39/1072927239.db2.gz VXWFSZZIGSFHTE-UHFFFAOYSA-N 1 2 438.514 -0.496 20 0 IBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000919940674 1072927888 /nfs/dbraw/zinc/92/78/88/1072927888.db2.gz XTWMPCAQDXEYKU-UHFFFAOYSA-N 1 2 431.559 -0.365 20 0 IBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000919940674 1072927880 /nfs/dbraw/zinc/92/78/80/1072927880.db2.gz XTWMPCAQDXEYKU-UHFFFAOYSA-N 1 2 431.559 -0.365 20 0 IBADLO COC(=O)c1ccc2c(cnn2CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000919941300 1072927973 /nfs/dbraw/zinc/92/79/73/1072927973.db2.gz UNCKNPDGVVBEQC-UHFFFAOYSA-N 1 2 436.538 -0.110 20 0 IBADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000920024795 1072933322 /nfs/dbraw/zinc/93/33/22/1072933322.db2.gz NSQCAAUWKJWBNU-DLLBQFDASA-N 1 2 430.505 -0.401 20 0 IBADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000920024796 1072933307 /nfs/dbraw/zinc/93/33/07/1072933307.db2.gz NSQCAAUWKJWBNU-GYOZQUQXSA-N 1 2 430.505 -0.401 20 0 IBADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000920024797 1072933178 /nfs/dbraw/zinc/93/31/78/1072933178.db2.gz NSQCAAUWKJWBNU-HRNLXLLQSA-N 1 2 430.505 -0.401 20 0 IBADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000920024798 1072933408 /nfs/dbraw/zinc/93/34/08/1072933408.db2.gz NSQCAAUWKJWBNU-PUWBTRCYSA-N 1 2 430.505 -0.401 20 0 IBADLO COC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000920052036 1072935908 /nfs/dbraw/zinc/93/59/08/1072935908.db2.gz ZVEBAYQCRXWBHZ-UHFFFAOYSA-N 1 2 432.547 -0.963 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000920096796 1072936839 /nfs/dbraw/zinc/93/68/39/1072936839.db2.gz AFBUJCPCOCZLKE-UHFFFAOYSA-N 1 2 425.511 -0.715 20 0 IBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000920096796 1072936829 /nfs/dbraw/zinc/93/68/29/1072936829.db2.gz AFBUJCPCOCZLKE-UHFFFAOYSA-N 1 2 425.511 -0.715 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000920096885 1072936993 /nfs/dbraw/zinc/93/69/93/1072936993.db2.gz GGSKCZKKSJYSFX-UHFFFAOYSA-N 1 2 438.550 -0.340 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000920096885 1072936988 /nfs/dbraw/zinc/93/69/88/1072936988.db2.gz GGSKCZKKSJYSFX-UHFFFAOYSA-N 1 2 438.550 -0.340 20 0 IBADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000920257834 1072940717 /nfs/dbraw/zinc/94/07/17/1072940717.db2.gz MONGGYMVPQPMHM-JOCHJYFZSA-N 1 2 445.520 -0.219 20 0 IBADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC000920257838 1072940626 /nfs/dbraw/zinc/94/06/26/1072940626.db2.gz MONGGYMVPQPMHM-QFIPXVFZSA-N 1 2 445.520 -0.219 20 0 IBADLO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)cc1S(=O)(=O)N(C)C ZINC000920258340 1072940678 /nfs/dbraw/zinc/94/06/78/1072940678.db2.gz RQJUDRHDFCVYCT-UHFFFAOYSA-N 1 2 442.538 -0.296 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000920450319 1072947331 /nfs/dbraw/zinc/94/73/31/1072947331.db2.gz WMJSYZQCAPZVKZ-UHFFFAOYSA-N 1 2 426.495 -0.854 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000920450319 1072947327 /nfs/dbraw/zinc/94/73/27/1072947327.db2.gz WMJSYZQCAPZVKZ-UHFFFAOYSA-N 1 2 426.495 -0.854 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000920450347 1072947170 /nfs/dbraw/zinc/94/71/70/1072947170.db2.gz ABFRNMQLUUOAOJ-UHFFFAOYSA-N 1 2 433.534 -0.133 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000920450347 1072947159 /nfs/dbraw/zinc/94/71/59/1072947159.db2.gz ABFRNMQLUUOAOJ-UHFFFAOYSA-N 1 2 433.534 -0.133 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000920450428 1072947229 /nfs/dbraw/zinc/94/72/29/1072947229.db2.gz INQASMCKTFVEKC-HNNXBMFYSA-N 1 2 427.527 -0.288 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000920450428 1072947221 /nfs/dbraw/zinc/94/72/21/1072947221.db2.gz INQASMCKTFVEKC-HNNXBMFYSA-N 1 2 427.527 -0.288 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000920450432 1072947859 /nfs/dbraw/zinc/94/78/59/1072947859.db2.gz INQASMCKTFVEKC-OAHLLOKOSA-N 1 2 427.527 -0.288 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000920450432 1072947846 /nfs/dbraw/zinc/94/78/46/1072947846.db2.gz INQASMCKTFVEKC-OAHLLOKOSA-N 1 2 427.527 -0.288 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000920450489 1072948012 /nfs/dbraw/zinc/94/80/12/1072948012.db2.gz MXZDINYQVRAEDI-UHFFFAOYSA-N 1 2 440.522 -0.464 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000920450489 1072948007 /nfs/dbraw/zinc/94/80/07/1072948007.db2.gz MXZDINYQVRAEDI-UHFFFAOYSA-N 1 2 440.522 -0.464 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1OC ZINC000920450516 1072947895 /nfs/dbraw/zinc/94/78/95/1072947895.db2.gz PFUHUANZIOXLDW-UHFFFAOYSA-N 1 2 428.511 -0.608 20 0 IBADLO COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1OC ZINC000920450516 1072947887 /nfs/dbraw/zinc/94/78/87/1072947887.db2.gz PFUHUANZIOXLDW-UHFFFAOYSA-N 1 2 428.511 -0.608 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920450989 1072947958 /nfs/dbraw/zinc/94/79/58/1072947958.db2.gz RWLQUBFFHPZKTI-AHKGRUIUSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920450989 1072947949 /nfs/dbraw/zinc/94/79/49/1072947949.db2.gz RWLQUBFFHPZKTI-AHKGRUIUSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920450992 1072947770 /nfs/dbraw/zinc/94/77/70/1072947770.db2.gz RWLQUBFFHPZKTI-KKMIYCERSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920450992 1072947760 /nfs/dbraw/zinc/94/77/60/1072947760.db2.gz RWLQUBFFHPZKTI-KKMIYCERSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920450995 1072947808 /nfs/dbraw/zinc/94/78/08/1072947808.db2.gz RWLQUBFFHPZKTI-OTIVFRFGSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920450995 1072947801 /nfs/dbraw/zinc/94/78/01/1072947801.db2.gz RWLQUBFFHPZKTI-OTIVFRFGSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920450997 1072947702 /nfs/dbraw/zinc/94/77/02/1072947702.db2.gz RWLQUBFFHPZKTI-YOCVDRLZSA-N 1 2 427.505 -0.191 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920450997 1072947692 /nfs/dbraw/zinc/94/76/92/1072947692.db2.gz RWLQUBFFHPZKTI-YOCVDRLZSA-N 1 2 427.505 -0.191 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2CCC(NC(N)=O)CC2)CC1 ZINC000920601712 1072951591 /nfs/dbraw/zinc/95/15/91/1072951591.db2.gz BYCYCZKUVBFVQA-UHFFFAOYSA-N 1 2 444.496 -0.218 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000920641832 1072955030 /nfs/dbraw/zinc/95/50/30/1072955030.db2.gz NWTDNZQAWVSPHV-UHFFFAOYSA-N 1 2 430.465 -0.006 20 0 IBADLO CN(C)C(=O)Cn1cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000920642545 1072955413 /nfs/dbraw/zinc/95/54/13/1072955413.db2.gz ZBDOVJMKRQVCJU-UHFFFAOYSA-N 1 2 444.492 -0.328 20 0 IBADLO COC(=O)c1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1Cl ZINC000921186515 1072961448 /nfs/dbraw/zinc/96/14/48/1072961448.db2.gz RVHDYBNRZRLVCR-UHFFFAOYSA-N 1 2 434.950 -0.301 20 0 IBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC000990914207 1073429182 /nfs/dbraw/zinc/42/91/82/1073429182.db2.gz GJSUJTYXEGDWQN-FGIYMWPYSA-N 1 2 425.493 -0.064 20 0 IBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC000990915237 1073430638 /nfs/dbraw/zinc/43/06/38/1073430638.db2.gz ZFXCDAXPUKLCJY-PZLSSOPGSA-N 1 2 425.493 -0.064 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993585530 1072722786 /nfs/dbraw/zinc/72/27/86/1072722786.db2.gz BVXBQFRIBWRSCO-JPZLZDEASA-N 1 2 425.493 -0.064 20 0 IBADLO Cc1nnc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]1 ZINC000993605129 1072722914 /nfs/dbraw/zinc/72/29/14/1072722914.db2.gz FHUWEQNEZXPWGL-LTIWMGKSSA-N 1 2 425.493 -0.077 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993606242 1072722833 /nfs/dbraw/zinc/72/28/33/1072722833.db2.gz KHZMAHWDWPKVHY-AJSPFTQQSA-N 1 2 425.493 -0.116 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993606655 1072722879 /nfs/dbraw/zinc/72/28/79/1072722879.db2.gz NJGMHTUHZRQIMH-JPZLZDEASA-N 1 2 425.493 -0.064 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnn(C)c1N ZINC000993617976 1072722932 /nfs/dbraw/zinc/72/29/32/1072722932.db2.gz FNEVKDCJBVZLEK-AJSPFTQQSA-N 1 2 425.493 -0.116 20 0 IBADLO Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]1 ZINC000993618819 1072723022 /nfs/dbraw/zinc/72/30/22/1072723022.db2.gz KWLDIDQNAUBHQR-LTIWMGKSSA-N 1 2 425.493 -0.077 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993625990 1072723050 /nfs/dbraw/zinc/72/30/50/1072723050.db2.gz LSVSIAIHAOJDIQ-MNHMMDCCSA-N 1 2 426.481 -0.669 20 0 IBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H](n2ccnn2)C1 ZINC001070239565 1072823533 /nfs/dbraw/zinc/82/35/33/1072823533.db2.gz WEJVVCCCWAHSHZ-OKCUJJGMSA-N 1 2 426.481 -0.635 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cn1 ZINC001109538592 1073656026 /nfs/dbraw/zinc/65/60/26/1073656026.db2.gz JMIAVVYUIUHHJT-RAMDOIFKSA-N 1 2 435.550 -0.157 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cn1 ZINC001109538592 1073656018 /nfs/dbraw/zinc/65/60/18/1073656018.db2.gz JMIAVVYUIUHHJT-RAMDOIFKSA-N 1 2 435.550 -0.157 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cn1 ZINC001110830726 1074479050 /nfs/dbraw/zinc/47/90/50/1074479050.db2.gz JMIAVVYUIUHHJT-SMTILKTDSA-N 1 2 435.550 -0.157 20 0 IBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cn1 ZINC001110830726 1074479044 /nfs/dbraw/zinc/47/90/44/1074479044.db2.gz JMIAVVYUIUHHJT-SMTILKTDSA-N 1 2 435.550 -0.157 20 0 IBADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001115860022 1073024316 /nfs/dbraw/zinc/02/43/16/1073024316.db2.gz KMSAPTANZWQZND-HNNXBMFYSA-N 1 2 430.552 -0.526 20 0 IBADLO O=C(C[C@H]1CCS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001115860023 1073024264 /nfs/dbraw/zinc/02/42/64/1073024264.db2.gz KMSAPTANZWQZND-OAHLLOKOSA-N 1 2 430.552 -0.526 20 0 IBADLO CC(C)(C)n1ncc2c1nc(N1CCN(CCO)CC1)nc2N1CC[NH+](CCO)CC1 ZINC001115939514 1073026560 /nfs/dbraw/zinc/02/65/60/1073026560.db2.gz TXMGYWWZJHOTGK-UHFFFAOYSA-N 1 2 432.573 -0.190 20 0 IBADLO C[C@@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC001115995241 1073027872 /nfs/dbraw/zinc/02/78/72/1073027872.db2.gz NFIXWFAHMZHJPZ-AOMKIAJQSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC001115995257 1073027737 /nfs/dbraw/zinc/02/77/37/1073027737.db2.gz NFIXWFAHMZHJPZ-KSFYIVLOSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC001115995260 1073027700 /nfs/dbraw/zinc/02/77/00/1073027700.db2.gz NFIXWFAHMZHJPZ-OPAMFIHVSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)NC(=O)NC1=O ZINC001115995266 1073027816 /nfs/dbraw/zinc/02/78/16/1073027816.db2.gz NFIXWFAHMZHJPZ-ZHRRBRCNSA-N 1 2 443.504 -0.462 20 0 IBADLO C[C@@H](CC(=O)OC(C)(C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001116015253 1073028575 /nfs/dbraw/zinc/02/85/75/1073028575.db2.gz IOUIFDXRIKVEOO-HNNXBMFYSA-N 1 2 433.575 -0.074 20 0 IBADLO C[C@H](CC(=O)OC(C)(C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001116015258 1073028725 /nfs/dbraw/zinc/02/87/25/1073028725.db2.gz IOUIFDXRIKVEOO-OAHLLOKOSA-N 1 2 433.575 -0.074 20 0 IBADLO CCCS(=O)(=O)NC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001116022602 1073028782 /nfs/dbraw/zinc/02/87/82/1073028782.db2.gz VLYUVVZBWOLEKS-UHFFFAOYSA-N 1 2 438.616 -0.001 20 0 IBADLO O=C(COC(=O)Cn1ncn2nccc2c1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001116046058 1073029591 /nfs/dbraw/zinc/02/95/91/1073029591.db2.gz BXFLQBJPTMIHKW-UHFFFAOYSA-N 1 2 440.460 -0.417 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC001116051682 1073029632 /nfs/dbraw/zinc/02/96/32/1073029632.db2.gz PKXAVHOKIRUGNW-CYBMUJFWSA-N 1 2 430.552 -0.623 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC001116051682 1073029622 /nfs/dbraw/zinc/02/96/22/1073029622.db2.gz PKXAVHOKIRUGNW-CYBMUJFWSA-N 1 2 430.552 -0.623 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC001116051683 1073029664 /nfs/dbraw/zinc/02/96/64/1073029664.db2.gz PKXAVHOKIRUGNW-ZDUSSCGKSA-N 1 2 430.552 -0.623 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC001116051683 1073029653 /nfs/dbraw/zinc/02/96/53/1073029653.db2.gz PKXAVHOKIRUGNW-ZDUSSCGKSA-N 1 2 430.552 -0.623 20 0 IBADLO CN1CC[NH+](C(C)(C)CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001116066663 1073030167 /nfs/dbraw/zinc/03/01/67/1073030167.db2.gz ODDRHPLINSQMCE-UHFFFAOYSA-N 1 2 437.566 -0.437 20 0 IBADLO CN1CC[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001116067100 1073030112 /nfs/dbraw/zinc/03/01/12/1073030112.db2.gz IWLPLMFUXXTZFV-UHFFFAOYSA-N 1 2 437.566 -0.437 20 0 IBADLO COc1ccc(S(=O)(=O)CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001116100060 1073030974 /nfs/dbraw/zinc/03/09/74/1073030974.db2.gz BOFQQCUIOCDBFP-INIZCTEOSA-N 1 2 439.534 -0.092 20 0 IBADLO COc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001116100061 1073031631 /nfs/dbraw/zinc/03/16/31/1073031631.db2.gz BOFQQCUIOCDBFP-MRXNPFEDSA-N 1 2 439.534 -0.092 20 0 IBADLO O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001116105237 1073031493 /nfs/dbraw/zinc/03/14/93/1073031493.db2.gz USBPBSXFAJSQKX-UHFFFAOYSA-N 1 2 442.524 -0.253 20 0 IBADLO O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001116105237 1073031487 /nfs/dbraw/zinc/03/14/87/1073031487.db2.gz USBPBSXFAJSQKX-UHFFFAOYSA-N 1 2 442.524 -0.253 20 0 IBADLO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001116106272 1073031437 /nfs/dbraw/zinc/03/14/37/1073031437.db2.gz ZPKPOTKBZCEZSS-UHFFFAOYSA-N 1 2 443.508 -0.270 20 0 IBADLO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001116106272 1073031431 /nfs/dbraw/zinc/03/14/31/1073031431.db2.gz ZPKPOTKBZCEZSS-UHFFFAOYSA-N 1 2 443.508 -0.270 20 0 IBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001116118133 1073032070 /nfs/dbraw/zinc/03/20/70/1073032070.db2.gz YGWGFCLDYSFVOI-UHFFFAOYSA-N 1 2 430.513 -0.304 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cn1 ZINC001116126330 1073031988 /nfs/dbraw/zinc/03/19/88/1073031988.db2.gz QPFJMJNTMGOKPF-UHFFFAOYSA-N 1 2 443.551 -0.094 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)s1 ZINC001116135991 1073032752 /nfs/dbraw/zinc/03/27/52/1073032752.db2.gz MXTLWHNWYFXKQH-CYBMUJFWSA-N 1 2 431.584 -0.585 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)s1 ZINC001116135992 1073032776 /nfs/dbraw/zinc/03/27/76/1073032776.db2.gz MXTLWHNWYFXKQH-ZDUSSCGKSA-N 1 2 431.584 -0.585 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC001116139270 1073032919 /nfs/dbraw/zinc/03/29/19/1073032919.db2.gz VWQNXVQZVKJQOY-CYBMUJFWSA-N 1 2 431.584 -0.585 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC001116139271 1073033240 /nfs/dbraw/zinc/03/32/40/1073033240.db2.gz VWQNXVQZVKJQOY-ZDUSSCGKSA-N 1 2 431.584 -0.585 20 0 IBADLO NC(=O)COC1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC001116165241 1073033797 /nfs/dbraw/zinc/03/37/97/1073033797.db2.gz ZMPLEUPQHQLEPG-INIZCTEOSA-N 1 2 447.540 -0.042 20 0 IBADLO NC(=O)COC1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC001116165241 1073033786 /nfs/dbraw/zinc/03/37/86/1073033786.db2.gz ZMPLEUPQHQLEPG-INIZCTEOSA-N 1 2 447.540 -0.042 20 0 IBADLO NC(=O)COC1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC001116165242 1073033657 /nfs/dbraw/zinc/03/36/57/1073033657.db2.gz ZMPLEUPQHQLEPG-MRXNPFEDSA-N 1 2 447.540 -0.042 20 0 IBADLO NC(=O)COC1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC001116165242 1073033646 /nfs/dbraw/zinc/03/36/46/1073033646.db2.gz ZMPLEUPQHQLEPG-MRXNPFEDSA-N 1 2 447.540 -0.042 20 0 IBADLO CN1CC[NH+](Cc2cccc(CNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)c2)CC1 ZINC001116174121 1073033697 /nfs/dbraw/zinc/03/36/97/1073033697.db2.gz QRTNUURKSGEUDJ-UHFFFAOYSA-N 1 2 449.533 -0.279 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183219 1073034345 /nfs/dbraw/zinc/03/43/45/1073034345.db2.gz NLPRDJRVHQOSIS-PBHICJAKSA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183219 1073034334 /nfs/dbraw/zinc/03/43/34/1073034334.db2.gz NLPRDJRVHQOSIS-PBHICJAKSA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183220 1073034313 /nfs/dbraw/zinc/03/43/13/1073034313.db2.gz NLPRDJRVHQOSIS-RHSMWYFYSA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183220 1073034304 /nfs/dbraw/zinc/03/43/04/1073034304.db2.gz NLPRDJRVHQOSIS-RHSMWYFYSA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183221 1073034186 /nfs/dbraw/zinc/03/41/86/1073034186.db2.gz NLPRDJRVHQOSIS-WMLDXEAASA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183221 1073034174 /nfs/dbraw/zinc/03/41/74/1073034174.db2.gz NLPRDJRVHQOSIS-WMLDXEAASA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183222 1073034040 /nfs/dbraw/zinc/03/40/40/1073034040.db2.gz NLPRDJRVHQOSIS-YOEHRIQHSA-N 1 2 428.493 -0.398 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC001116183222 1073034035 /nfs/dbraw/zinc/03/40/35/1073034035.db2.gz NLPRDJRVHQOSIS-YOEHRIQHSA-N 1 2 428.493 -0.398 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001116200326 1073034768 /nfs/dbraw/zinc/03/47/68/1073034768.db2.gz WCDOCZADSFJJKW-INIZCTEOSA-N 1 2 425.555 -0.216 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001116200328 1073034548 /nfs/dbraw/zinc/03/45/48/1073034548.db2.gz WCDOCZADSFJJKW-MRXNPFEDSA-N 1 2 425.555 -0.216 20 0 IBADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001116207143 1073034528 /nfs/dbraw/zinc/03/45/28/1073034528.db2.gz QCSYODMZMHTNIF-FHWLQOOXSA-N 1 2 429.583 -0.165 20 0 IBADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001116207144 1073034731 /nfs/dbraw/zinc/03/47/31/1073034731.db2.gz QCSYODMZMHTNIF-GBESFXJTSA-N 1 2 429.583 -0.165 20 0 IBADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001116207145 1073034776 /nfs/dbraw/zinc/03/47/76/1073034776.db2.gz QCSYODMZMHTNIF-IPMKNSEASA-N 1 2 429.583 -0.165 20 0 IBADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001116207147 1073034587 /nfs/dbraw/zinc/03/45/87/1073034587.db2.gz QCSYODMZMHTNIF-OTWHNJEPSA-N 1 2 429.583 -0.165 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC001116232384 1073035357 /nfs/dbraw/zinc/03/53/57/1073035357.db2.gz ZIRZPYFOOAPTBN-UHFFFAOYSA-N 1 2 436.600 -0.249 20 0 IBADLO Cc1c[nH+]c(N2CCC(NS(C)(=O)=O)CC2)nc1N1CCC(NS(C)(=O)=O)CC1 ZINC001116239198 1073035503 /nfs/dbraw/zinc/03/55/03/1073035503.db2.gz HOCADORYGPXNCY-UHFFFAOYSA-N 1 2 446.599 -0.179 20 0 IBADLO COc1ccc(NC(=O)C[NH+]2CCC(OCC(N)=O)CC2)cc1S(=O)(=O)N(C)C ZINC001116328495 1073037505 /nfs/dbraw/zinc/03/75/05/1073037505.db2.gz VYIMSQKNZQKVGH-UHFFFAOYSA-N 1 2 428.511 -0.150 20 0 IBADLO CN(C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1)S(C)(=O)=O ZINC001116345124 1073038164 /nfs/dbraw/zinc/03/81/64/1073038164.db2.gz FZVWBPLYTCGRJJ-UHFFFAOYSA-N 1 2 432.568 -0.652 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC001116345672 1073038276 /nfs/dbraw/zinc/03/82/76/1073038276.db2.gz DYLQNKTUJIHZBQ-KUNJGFBQSA-N 1 2 430.596 -0.623 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC001116345673 1073038300 /nfs/dbraw/zinc/03/83/00/1073038300.db2.gz DYLQNKTUJIHZBQ-QZXCRCNTSA-N 1 2 430.596 -0.623 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC001116345674 1073038130 /nfs/dbraw/zinc/03/81/30/1073038130.db2.gz DYLQNKTUJIHZBQ-RXAIFQJESA-N 1 2 430.596 -0.623 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC001116345675 1073038112 /nfs/dbraw/zinc/03/81/12/1073038112.db2.gz DYLQNKTUJIHZBQ-YVORESIASA-N 1 2 430.596 -0.623 20 0 IBADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001116401963 1073039719 /nfs/dbraw/zinc/03/97/19/1073039719.db2.gz UPUIKFSHOSDPNV-UHFFFAOYSA-N 1 2 438.550 -0.224 20 0 IBADLO O=C1CC[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCN5C(=O)CC[C@H]5C4)n3)CCN12 ZINC001116424685 1073040720 /nfs/dbraw/zinc/04/07/20/1073040720.db2.gz MBSFRVOPZNCMLE-HOTGVXAUSA-N 1 2 442.524 -0.670 20 0 IBADLO O=C1CC[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCN5C(=O)CC[C@H]5C4)[nH+]3)CCN12 ZINC001116424685 1073040713 /nfs/dbraw/zinc/04/07/13/1073040713.db2.gz MBSFRVOPZNCMLE-HOTGVXAUSA-N 1 2 442.524 -0.670 20 0 IBADLO O=C1CC[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCN5C(=O)CC[C@@H]5C4)n3)CCN12 ZINC001116424696 1073040807 /nfs/dbraw/zinc/04/08/07/1073040807.db2.gz MBSFRVOPZNCMLE-HZPDHXFCSA-N 1 2 442.524 -0.670 20 0 IBADLO O=C1CC[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCN5C(=O)CC[C@@H]5C4)[nH+]3)CCN12 ZINC001116424696 1073040798 /nfs/dbraw/zinc/04/07/98/1073040798.db2.gz MBSFRVOPZNCMLE-HZPDHXFCSA-N 1 2 442.524 -0.670 20 0 IBADLO NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116504328 1073042338 /nfs/dbraw/zinc/04/23/38/1073042338.db2.gz ZDSBCDCCUGDTCG-BBRMVZONSA-N 1 2 431.493 -0.440 20 0 IBADLO NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116504329 1073042354 /nfs/dbraw/zinc/04/23/54/1073042354.db2.gz ZDSBCDCCUGDTCG-CJNGLKHVSA-N 1 2 431.493 -0.440 20 0 IBADLO NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116504330 1073042678 /nfs/dbraw/zinc/04/26/78/1073042678.db2.gz ZDSBCDCCUGDTCG-CZUORRHYSA-N 1 2 431.493 -0.440 20 0 IBADLO NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116504331 1073042584 /nfs/dbraw/zinc/04/25/84/1073042584.db2.gz ZDSBCDCCUGDTCG-XJKSGUPXSA-N 1 2 431.493 -0.440 20 0 IBADLO Cc1nc2ccc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2o1 ZINC001116634761 1073044930 /nfs/dbraw/zinc/04/49/30/1073044930.db2.gz VOIFYSYKLIEBPC-UHFFFAOYSA-N 1 2 443.551 -0.065 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC001116686318 1073045684 /nfs/dbraw/zinc/04/56/84/1073045684.db2.gz KLMRWPFSBWEENZ-FMKPAKJESA-N 1 2 428.486 -0.985 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC001116686318 1073045675 /nfs/dbraw/zinc/04/56/75/1073045675.db2.gz KLMRWPFSBWEENZ-FMKPAKJESA-N 1 2 428.486 -0.985 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC001116686319 1073046229 /nfs/dbraw/zinc/04/62/29/1073046229.db2.gz KLMRWPFSBWEENZ-LZWOXQAQSA-N 1 2 428.486 -0.985 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC001116686319 1073046225 /nfs/dbraw/zinc/04/62/25/1073046225.db2.gz KLMRWPFSBWEENZ-LZWOXQAQSA-N 1 2 428.486 -0.985 20 0 IBADLO O=C(NCc1nnc2n1CCOC2)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001116746911 1073047148 /nfs/dbraw/zinc/04/71/48/1073047148.db2.gz XJEYTMNGBFMCHU-HNNXBMFYSA-N 1 2 443.512 -0.097 20 0 IBADLO O=C(NCc1nnc2n1CCOC2)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001116746911 1073047141 /nfs/dbraw/zinc/04/71/41/1073047141.db2.gz XJEYTMNGBFMCHU-HNNXBMFYSA-N 1 2 443.512 -0.097 20 0 IBADLO O=C(NCc1nnc2n1CCOC2)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001116746912 1073047186 /nfs/dbraw/zinc/04/71/86/1073047186.db2.gz XJEYTMNGBFMCHU-OAHLLOKOSA-N 1 2 443.512 -0.097 20 0 IBADLO O=C(NCc1nnc2n1CCOC2)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001116746912 1073047178 /nfs/dbraw/zinc/04/71/78/1073047178.db2.gz XJEYTMNGBFMCHU-OAHLLOKOSA-N 1 2 443.512 -0.097 20 0 IBADLO CCS(=O)(=O)C1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC001116792282 1073048285 /nfs/dbraw/zinc/04/82/85/1073048285.db2.gz MVUWGTATHJEEGM-UHFFFAOYSA-N 1 2 435.554 -0.089 20 0 IBADLO Cc1cc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1S(N)(=O)=O ZINC001116815594 1073048894 /nfs/dbraw/zinc/04/88/94/1073048894.db2.gz SPJNGLFGAFHIPH-UHFFFAOYSA-N 1 2 432.568 -0.049 20 0 IBADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001116944019 1073052430 /nfs/dbraw/zinc/05/24/30/1073052430.db2.gz FHTZYLKCHVLMFG-CABCVRRESA-N 1 2 425.555 -0.370 20 0 IBADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001116944020 1073052367 /nfs/dbraw/zinc/05/23/67/1073052367.db2.gz FHTZYLKCHVLMFG-GJZGRUSLSA-N 1 2 425.555 -0.370 20 0 IBADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001116944021 1073052594 /nfs/dbraw/zinc/05/25/94/1073052594.db2.gz FHTZYLKCHVLMFG-HUUCEWRRSA-N 1 2 425.555 -0.370 20 0 IBADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001116944022 1073052341 /nfs/dbraw/zinc/05/23/41/1073052341.db2.gz FHTZYLKCHVLMFG-LSDHHAIUSA-N 1 2 425.555 -0.370 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCN2C(=O)CCC2=O)CC3)CC1 ZINC001116946307 1073052548 /nfs/dbraw/zinc/05/25/48/1073052548.db2.gz YVDAISKNBCZGGU-INIZCTEOSA-N 1 2 444.536 -0.122 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCN2C(=O)CCC2=O)CC3)CC1 ZINC001116946308 1073052817 /nfs/dbraw/zinc/05/28/17/1073052817.db2.gz YVDAISKNBCZGGU-MRXNPFEDSA-N 1 2 444.536 -0.122 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)CC3)CC1 ZINC001117121201 1073053724 /nfs/dbraw/zinc/05/37/24/1073053724.db2.gz BMBVMRGZMZQUQM-AWEZNQCLSA-N 1 2 440.570 -0.723 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)CC3)CC1 ZINC001117121212 1073053801 /nfs/dbraw/zinc/05/38/01/1073053801.db2.gz BMBVMRGZMZQUQM-CQSZACIVSA-N 1 2 440.570 -0.723 20 0 IBADLO O=C(CCN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117216715 1073054352 /nfs/dbraw/zinc/05/43/52/1073054352.db2.gz KTEKAVZNNORVGP-UHFFFAOYSA-N 1 2 435.506 -0.381 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001117430685 1073055315 /nfs/dbraw/zinc/05/53/15/1073055315.db2.gz HEXBSWMHLBVBEI-UHFFFAOYSA-N 1 2 427.469 -0.284 20 0 IBADLO COCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001117474487 1073055035 /nfs/dbraw/zinc/05/50/35/1073055035.db2.gz PGNFYXLGHTXRNH-HMQMGEFJSA-N 1 2 430.571 -0.085 20 0 IBADLO COCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001117474487 1073055026 /nfs/dbraw/zinc/05/50/26/1073055026.db2.gz PGNFYXLGHTXRNH-HMQMGEFJSA-N 1 2 430.571 -0.085 20 0 IBADLO COCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001117474488 1073055280 /nfs/dbraw/zinc/05/52/80/1073055280.db2.gz PGNFYXLGHTXRNH-NPYXIHBLSA-N 1 2 430.571 -0.085 20 0 IBADLO COCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001117474488 1073055275 /nfs/dbraw/zinc/05/52/75/1073055275.db2.gz PGNFYXLGHTXRNH-NPYXIHBLSA-N 1 2 430.571 -0.085 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC3(CCCC3)C1=O)C2 ZINC001117485170 1073055123 /nfs/dbraw/zinc/05/51/23/1073055123.db2.gz KQBISZHULLNVGG-JLTOFOAXSA-N 1 2 433.509 -0.227 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC3(CCCC3)C1=O)C2 ZINC001117485171 1073055228 /nfs/dbraw/zinc/05/52/28/1073055228.db2.gz KQBISZHULLNVGG-VBKZILBWSA-N 1 2 433.509 -0.227 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC3(CCCC3)C1=O)C2 ZINC001117485172 1073055102 /nfs/dbraw/zinc/05/51/02/1073055102.db2.gz KQBISZHULLNVGG-VLIAUNLRSA-N 1 2 433.509 -0.227 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC3(CCCC3)C1=O)C2 ZINC001117485173 1073055580 /nfs/dbraw/zinc/05/55/80/1073055580.db2.gz KQBISZHULLNVGG-XOBRGWDASA-N 1 2 433.509 -0.227 20 0 IBADLO CCOc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001117635089 1073055897 /nfs/dbraw/zinc/05/58/97/1073055897.db2.gz NBENDPHWJVIOFN-UHFFFAOYSA-N 1 2 447.579 -0.011 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCc4nncn4C2)CC3)CC1 ZINC001117760229 1073057951 /nfs/dbraw/zinc/05/79/51/1073057951.db2.gz RNFBLFOYDIZDNU-CVEARBPZSA-N 1 2 426.525 -0.197 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCc4nncn4C2)CC3)CC1 ZINC001117760230 1073057860 /nfs/dbraw/zinc/05/78/60/1073057860.db2.gz RNFBLFOYDIZDNU-HOTGVXAUSA-N 1 2 426.525 -0.197 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCc4nncn4C2)CC3)CC1 ZINC001117760231 1073058008 /nfs/dbraw/zinc/05/80/08/1073058008.db2.gz RNFBLFOYDIZDNU-HZPDHXFCSA-N 1 2 426.525 -0.197 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCc4nncn4C2)CC3)CC1 ZINC001117760232 1073057937 /nfs/dbraw/zinc/05/79/37/1073057937.db2.gz RNFBLFOYDIZDNU-JKSUJKDBSA-N 1 2 426.525 -0.197 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC001123733883 1073062226 /nfs/dbraw/zinc/06/22/26/1073062226.db2.gz BGGXILKUMCVEKZ-UHFFFAOYSA-N 1 2 429.485 -0.085 20 0 IBADLO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1(=O)=O ZINC001125027772 1073063578 /nfs/dbraw/zinc/06/35/78/1073063578.db2.gz YUKPBSKZFHVIAI-KRWDZBQOSA-N 1 2 430.552 -0.383 20 0 IBADLO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1(=O)=O ZINC001125027773 1073063655 /nfs/dbraw/zinc/06/36/55/1073063655.db2.gz YUKPBSKZFHVIAI-QGZVFWFLSA-N 1 2 430.552 -0.383 20 0 IBADLO O=C(CN1CCCCC(=O)C1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001125091162 1073063922 /nfs/dbraw/zinc/06/39/22/1073063922.db2.gz BQNKYDFHQPYOAW-UHFFFAOYSA-N 1 2 437.522 -0.769 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)cn1 ZINC001126374016 1071570452 /nfs/dbraw/zinc/57/04/52/1071570452.db2.gz RINOGGOYXVKXJF-AEFFLSMTSA-N 1 2 441.554 -0.431 20 0 IBADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001126589640 1072613647 /nfs/dbraw/zinc/61/36/47/1072613647.db2.gz AGJCJKKURIFDSK-SJORKVTESA-N 1 2 428.511 -0.472 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001133312542 1073996553 /nfs/dbraw/zinc/99/65/53/1073996553.db2.gz HJGJBIRFKAENQI-CVEARBPZSA-N 1 2 438.525 -0.186 20 0 IBADLO Cn1c[nH+]cc1CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001135931236 1074042984 /nfs/dbraw/zinc/04/29/84/1074042984.db2.gz GJNGDMSGBZSEQO-UHFFFAOYSA-N 1 2 434.522 -0.273 20 0 IBADLO Cc1nn(-c2cccnc2)nc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201408 1074046501 /nfs/dbraw/zinc/04/65/01/1074046501.db2.gz INZBTQMWCYJJCN-UHFFFAOYSA-N 1 2 434.526 -0.779 20 0 IBADLO COC(=O)c1coc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001136201613 1074046448 /nfs/dbraw/zinc/04/64/48/1074046448.db2.gz PBUCEXKZLFMEPQ-ARJAWSKDSA-N 1 2 426.495 -0.284 20 0 IBADLO COC(=O)c1coc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001136201614 1074046310 /nfs/dbraw/zinc/04/63/10/1074046310.db2.gz PBUCEXKZLFMEPQ-ONEGZZNKSA-N 1 2 426.495 -0.284 20 0 IBADLO C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201786 1074046530 /nfs/dbraw/zinc/04/65/30/1074046530.db2.gz WCZAGTJZZHWXQL-CRAIPNDOSA-N 1 2 428.530 -0.074 20 0 IBADLO C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201787 1074046551 /nfs/dbraw/zinc/04/65/51/1074046551.db2.gz WCZAGTJZZHWXQL-MAUKXSAKSA-N 1 2 428.530 -0.074 20 0 IBADLO C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201788 1074046367 /nfs/dbraw/zinc/04/63/67/1074046367.db2.gz WCZAGTJZZHWXQL-QAPCUYQASA-N 1 2 428.530 -0.074 20 0 IBADLO C[C@@H](c1ccccc1F)[C@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201789 1074046428 /nfs/dbraw/zinc/04/64/28/1074046428.db2.gz WCZAGTJZZHWXQL-YJBOKZPZSA-N 1 2 428.530 -0.074 20 0 IBADLO CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201801 1074046517 /nfs/dbraw/zinc/04/65/17/1074046517.db2.gz WYNUSUFBODBZSC-SAPNQHFASA-N 1 2 441.579 -0.139 20 0 IBADLO CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201802 1074046565 /nfs/dbraw/zinc/04/65/65/1074046565.db2.gz WYNUSUFBODBZSC-VKAVYKQESA-N 1 2 441.579 -0.139 20 0 IBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001136426201 1074053839 /nfs/dbraw/zinc/05/38/39/1074053839.db2.gz OPBZSIRWRZQYOZ-UHFFFAOYSA-N 1 2 440.444 -0.032 20 0 IBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001136477926 1074055313 /nfs/dbraw/zinc/05/53/13/1074055313.db2.gz ALZDRHPGMQMTAU-INIZCTEOSA-N 1 2 432.525 -0.357 20 0 IBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001136477927 1074055576 /nfs/dbraw/zinc/05/55/76/1074055576.db2.gz ALZDRHPGMQMTAU-MRXNPFEDSA-N 1 2 432.525 -0.357 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC001136575809 1074057319 /nfs/dbraw/zinc/05/73/19/1074057319.db2.gz LDHRXWYZULJTHV-YPAWHYETSA-N 1 2 447.532 -0.699 20 0 IBADLO CC1(C)COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136623975 1074057733 /nfs/dbraw/zinc/05/77/33/1074057733.db2.gz DKFIAWGOIXXDHJ-UHFFFAOYSA-N 1 2 433.552 -0.405 20 0 IBADLO CC1(C)COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136623975 1074057728 /nfs/dbraw/zinc/05/77/28/1074057728.db2.gz DKFIAWGOIXXDHJ-UHFFFAOYSA-N 1 2 433.552 -0.405 20 0 IBADLO CN(C(=O)c1ccsc1S(N)(=O)=O)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001136638872 1074058692 /nfs/dbraw/zinc/05/86/92/1074058692.db2.gz PPNFUJWQZZBUCL-UHFFFAOYSA-N 1 2 443.595 -0.294 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)[C@H]1c1nccn1C ZINC001136660015 1074059211 /nfs/dbraw/zinc/05/92/11/1074059211.db2.gz YMQOAKKPOLGPKO-PMACEKPBSA-N 1 2 446.552 -0.135 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)[C@H]1c1nccn1C ZINC001136660015 1074059206 /nfs/dbraw/zinc/05/92/06/1074059206.db2.gz YMQOAKKPOLGPKO-PMACEKPBSA-N 1 2 446.552 -0.135 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001136685441 1074060872 /nfs/dbraw/zinc/06/08/72/1074060872.db2.gz ZABOPNPEFLRDMN-OTWHNJEPSA-N 1 2 426.558 -0.448 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001136685442 1074060881 /nfs/dbraw/zinc/06/08/81/1074060881.db2.gz ZABOPNPEFLRDMN-QRVBRYPASA-N 1 2 426.558 -0.448 20 0 IBADLO CCOC(=O)c1c(C[N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)cnn1C ZINC001136907654 1074063492 /nfs/dbraw/zinc/06/34/92/1074063492.db2.gz VAJHOVAOMMVDAO-GDBMZVCRSA-N 1 2 441.554 -0.089 20 0 IBADLO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)cnn1C ZINC001136907654 1074063487 /nfs/dbraw/zinc/06/34/87/1074063487.db2.gz VAJHOVAOMMVDAO-GDBMZVCRSA-N 1 2 441.554 -0.089 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001136942414 1074063932 /nfs/dbraw/zinc/06/39/32/1074063932.db2.gz GHTDFLFLBABOKS-UHFFFAOYSA-N 1 2 433.538 -0.541 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001136942414 1074063927 /nfs/dbraw/zinc/06/39/27/1074063927.db2.gz GHTDFLFLBABOKS-UHFFFAOYSA-N 1 2 433.538 -0.541 20 0 IBADLO O=C(N[C@@H](CO)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC001136947536 1074064058 /nfs/dbraw/zinc/06/40/58/1074064058.db2.gz GWTJGYRDQCGOJZ-MSOLQXFVSA-N 1 2 434.493 -0.677 20 0 IBADLO O=C(N[C@H](CO)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC001136947537 1074064009 /nfs/dbraw/zinc/06/40/09/1074064009.db2.gz GWTJGYRDQCGOJZ-QZTJIDSGSA-N 1 2 434.493 -0.677 20 0 IBADLO O=C(N[C@@H](CO)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC001136947538 1074064078 /nfs/dbraw/zinc/06/40/78/1074064078.db2.gz GWTJGYRDQCGOJZ-ROUUACIJSA-N 1 2 434.493 -0.677 20 0 IBADLO O=C(N[C@H](CO)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC001136947539 1074064034 /nfs/dbraw/zinc/06/40/34/1074064034.db2.gz GWTJGYRDQCGOJZ-ZWKOTPCHSA-N 1 2 434.493 -0.677 20 0 IBADLO Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(I)n1 ZINC001136948301 1074063958 /nfs/dbraw/zinc/06/39/58/1074063958.db2.gz AFYDDOZKLPNMTF-LLVKDONJSA-N 1 2 447.277 -0.312 20 0 IBADLO Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(I)n1 ZINC001136948302 1074063977 /nfs/dbraw/zinc/06/39/77/1074063977.db2.gz AFYDDOZKLPNMTF-NSHDSACASA-N 1 2 447.277 -0.312 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1I ZINC001136949221 1074064482 /nfs/dbraw/zinc/06/44/82/1074064482.db2.gz NWRFQKPDQDFNNW-JTQLQIEISA-N 1 2 433.250 -0.323 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1I ZINC001136949222 1074064371 /nfs/dbraw/zinc/06/43/71/1074064371.db2.gz NWRFQKPDQDFNNW-SNVBAGLBSA-N 1 2 433.250 -0.323 20 0 IBADLO Cn1cc(Br)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1=O ZINC001136949337 1074064834 /nfs/dbraw/zinc/06/48/34/1074064834.db2.gz RZFXPBVPKHQMQZ-GFCCVEGCSA-N 1 2 427.299 -0.189 20 0 IBADLO Cn1cc(Br)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1=O ZINC001136949338 1074064808 /nfs/dbraw/zinc/06/48/08/1074064808.db2.gz RZFXPBVPKHQMQZ-LBPRGKRZSA-N 1 2 427.299 -0.189 20 0 IBADLO O=C(Cn1cnc(-c2ccccc2)cc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949412 1074064954 /nfs/dbraw/zinc/06/49/54/1074064954.db2.gz UGNWOSXRCGYLNN-GOSISDBHSA-N 1 2 425.489 -0.040 20 0 IBADLO O=C(Cn1cnc(-c2ccccc2)cc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949413 1074064795 /nfs/dbraw/zinc/06/47/95/1074064795.db2.gz UGNWOSXRCGYLNN-SFHVURJKSA-N 1 2 425.489 -0.040 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949450 1074064889 /nfs/dbraw/zinc/06/48/89/1074064889.db2.gz VLZXWJWBFZEVLV-HRAATJIYSA-N 1 2 440.541 -0.202 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949451 1074064875 /nfs/dbraw/zinc/06/48/75/1074064875.db2.gz VLZXWJWBFZEVLV-IERDGZPVSA-N 1 2 440.541 -0.202 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949452 1074064854 /nfs/dbraw/zinc/06/48/54/1074064854.db2.gz VLZXWJWBFZEVLV-IIBYNOLFSA-N 1 2 440.541 -0.202 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949453 1074064904 /nfs/dbraw/zinc/06/49/04/1074064904.db2.gz VLZXWJWBFZEVLV-KKSFZXQISA-N 1 2 440.541 -0.202 20 0 IBADLO Cn1nc2c(c1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)CS(=O)(=O)CC2 ZINC001137204406 1074477081 /nfs/dbraw/zinc/47/70/81/1074477081.db2.gz FFTWKXXTIWGZJE-CYBMUJFWSA-N 1 2 432.568 -0.528 20 0 IBADLO Cn1nc2c(c1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)CS(=O)(=O)CC2 ZINC001137204407 1074477070 /nfs/dbraw/zinc/47/70/70/1074477070.db2.gz FFTWKXXTIWGZJE-ZDUSSCGKSA-N 1 2 432.568 -0.528 20 0 IBADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001137220599 1074477605 /nfs/dbraw/zinc/47/76/05/1074477605.db2.gz RBYCDBBEDRONNM-RDJZCZTQSA-N 1 2 430.546 -0.197 20 0 IBADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001137220600 1074477634 /nfs/dbraw/zinc/47/76/34/1074477634.db2.gz RBYCDBBEDRONNM-WBVHZDCISA-N 1 2 430.546 -0.197 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001137220675 1074477664 /nfs/dbraw/zinc/47/76/64/1074477664.db2.gz SMAIORXMBQWQEW-HNNXBMFYSA-N 1 2 441.488 -0.019 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001137220676 1074478036 /nfs/dbraw/zinc/47/80/36/1074478036.db2.gz SMAIORXMBQWQEW-OAHLLOKOSA-N 1 2 441.488 -0.019 20 0 IBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001137736795 1073064817 /nfs/dbraw/zinc/06/48/17/1073064817.db2.gz CQNDDZUDUUXVTQ-GOSISDBHSA-N 1 2 426.473 -0.046 20 0 IBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001137736796 1073065056 /nfs/dbraw/zinc/06/50/56/1073065056.db2.gz CQNDDZUDUUXVTQ-SFHVURJKSA-N 1 2 426.473 -0.046 20 0 IBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001137738824 1073065035 /nfs/dbraw/zinc/06/50/35/1073065035.db2.gz HSODRWKCYDGUCH-AWEZNQCLSA-N 1 2 427.479 -0.190 20 0 IBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001137738825 1073064951 /nfs/dbraw/zinc/06/49/51/1073064951.db2.gz HSODRWKCYDGUCH-CQSZACIVSA-N 1 2 427.479 -0.190 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001137739502 1073065104 /nfs/dbraw/zinc/06/51/04/1073065104.db2.gz WCRJEGIYIVCPAT-KRWDZBQOSA-N 1 2 425.507 -0.191 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001137739503 1073065016 /nfs/dbraw/zinc/06/50/16/1073065016.db2.gz WCRJEGIYIVCPAT-QGZVFWFLSA-N 1 2 425.507 -0.191 20 0 IBADLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001138464889 1073067832 /nfs/dbraw/zinc/06/78/32/1073067832.db2.gz BEHYDWBTUSPHKA-LSDHHAIUSA-N 1 2 448.505 -0.281 20 0 IBADLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001138464889 1073067822 /nfs/dbraw/zinc/06/78/22/1073067822.db2.gz BEHYDWBTUSPHKA-LSDHHAIUSA-N 1 2 448.505 -0.281 20 0 IBADLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001138468558 1073067799 /nfs/dbraw/zinc/06/77/99/1073067799.db2.gz UCSYBSNTRROYOZ-UHFFFAOYSA-N 1 2 440.464 -0.178 20 0 IBADLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001138468558 1073067789 /nfs/dbraw/zinc/06/77/89/1073067789.db2.gz UCSYBSNTRROYOZ-UHFFFAOYSA-N 1 2 440.464 -0.178 20 0 IBADLO COc1cc(C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)ccc1OCC(N)=O ZINC001138593194 1073067667 /nfs/dbraw/zinc/06/76/67/1073067667.db2.gz NKBFGPYTMPMAGT-DJIMGWMZSA-N 1 2 427.461 -0.022 20 0 IBADLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)ccc1OCC(N)=O ZINC001138593194 1073067658 /nfs/dbraw/zinc/06/76/58/1073067658.db2.gz NKBFGPYTMPMAGT-DJIMGWMZSA-N 1 2 427.461 -0.022 20 0 IBADLO CCN1C[C@@]23C[N@@H+](Cc4ccc(OCC(N)=O)c(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001138594554 1073067975 /nfs/dbraw/zinc/06/79/75/1073067975.db2.gz IUUUPJXPMPMINE-LJHODMEESA-N 1 2 425.507 -0.064 20 0 IBADLO CCN1C[C@@]23C[N@H+](Cc4ccc(OCC(N)=O)c(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001138594554 1073067964 /nfs/dbraw/zinc/06/79/64/1073067964.db2.gz IUUUPJXPMPMINE-LJHODMEESA-N 1 2 425.507 -0.064 20 0 IBADLO CCOC(=O)c1n[nH]cc1C[N@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001138855993 1073068996 /nfs/dbraw/zinc/06/89/96/1073068996.db2.gz GFRFIHQVSDYCFC-UKRRQHHQSA-N 1 2 427.527 -0.099 20 0 IBADLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001138855993 1073068985 /nfs/dbraw/zinc/06/89/85/1073068985.db2.gz GFRFIHQVSDYCFC-UKRRQHHQSA-N 1 2 427.527 -0.099 20 0 IBADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(OCC(N)=O)cc1)CCC2 ZINC001138870356 1073068894 /nfs/dbraw/zinc/06/88/94/1073068894.db2.gz KWKAYVGPUBWPRJ-UHFFFAOYSA-N 1 2 429.477 -0.224 20 0 IBADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(OCC(N)=O)cc1)CCC2 ZINC001138870356 1073068880 /nfs/dbraw/zinc/06/88/80/1073068880.db2.gz KWKAYVGPUBWPRJ-UHFFFAOYSA-N 1 2 429.477 -0.224 20 0 IBADLO COC(=O)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cn1C ZINC001139372685 1073070326 /nfs/dbraw/zinc/07/03/26/1073070326.db2.gz YTQNJUGCALQNEB-JFIYKMOQSA-N 1 2 439.534 -0.094 20 0 IBADLO COC(=O)c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cn1C ZINC001139372685 1073070316 /nfs/dbraw/zinc/07/03/16/1073070316.db2.gz YTQNJUGCALQNEB-JFIYKMOQSA-N 1 2 439.534 -0.094 20 0 IBADLO COC(=O)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cn1C ZINC001139372686 1073070353 /nfs/dbraw/zinc/07/03/53/1073070353.db2.gz YTQNJUGCALQNEB-LZLYRXPVSA-N 1 2 439.534 -0.094 20 0 IBADLO COC(=O)c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cn1C ZINC001139372686 1073070344 /nfs/dbraw/zinc/07/03/44/1073070344.db2.gz YTQNJUGCALQNEB-LZLYRXPVSA-N 1 2 439.534 -0.094 20 0 IBADLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cn1C ZINC001139373196 1073070170 /nfs/dbraw/zinc/07/01/70/1073070170.db2.gz HSBPATQBHFULHB-HOTGVXAUSA-N 1 2 435.525 -0.092 20 0 IBADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cn1C ZINC001139373196 1073070161 /nfs/dbraw/zinc/07/01/61/1073070161.db2.gz HSBPATQBHFULHB-HOTGVXAUSA-N 1 2 435.525 -0.092 20 0 IBADLO CCOC1CC(CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)([NH+]2CCOCC2)C1 ZINC001139641560 1073070691 /nfs/dbraw/zinc/07/06/91/1073070691.db2.gz AFAOLRIOOZVGQQ-ZXXPYMPCSA-N 1 2 435.525 -0.704 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C2 ZINC001140346480 1073072171 /nfs/dbraw/zinc/07/21/71/1073072171.db2.gz SLZDNDWQOOQUMD-CXAGYDPISA-N 1 2 431.468 -0.030 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C2 ZINC001140346481 1073072110 /nfs/dbraw/zinc/07/21/10/1073072110.db2.gz SLZDNDWQOOQUMD-DYVFJYSZSA-N 1 2 431.468 -0.030 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C2 ZINC001140346483 1073072078 /nfs/dbraw/zinc/07/20/78/1073072078.db2.gz SLZDNDWQOOQUMD-GUYCJALGSA-N 1 2 431.468 -0.030 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C2 ZINC001140346484 1073072294 /nfs/dbraw/zinc/07/22/94/1073072294.db2.gz SLZDNDWQOOQUMD-SUMWQHHRSA-N 1 2 431.468 -0.030 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccoc2CC(N)=O)CC3)CC1 ZINC001140377586 1073072687 /nfs/dbraw/zinc/07/26/87/1073072687.db2.gz HHJUSCZHIQGHSX-AWEZNQCLSA-N 1 2 428.493 -0.116 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccoc2CC(N)=O)CC3)CC1 ZINC001140377588 1073072715 /nfs/dbraw/zinc/07/27/15/1073072715.db2.gz HHJUSCZHIQGHSX-CQSZACIVSA-N 1 2 428.493 -0.116 20 0 IBADLO COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C[C@H]1C ZINC001140378150 1073072611 /nfs/dbraw/zinc/07/26/11/1073072611.db2.gz RHRDKABMMLRCSF-OHDICMOHSA-N 1 2 447.536 -0.084 20 0 IBADLO COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C[C@H]1C ZINC001140378151 1073072635 /nfs/dbraw/zinc/07/26/35/1073072635.db2.gz RHRDKABMMLRCSF-WTLGNFPFSA-N 1 2 447.536 -0.084 20 0 IBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001141374523 1073076500 /nfs/dbraw/zinc/07/65/00/1073076500.db2.gz GNUXWOIPMAVWOI-INIZCTEOSA-N 1 2 426.539 -0.414 20 0 IBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001141374524 1073076760 /nfs/dbraw/zinc/07/67/60/1073076760.db2.gz GNUXWOIPMAVWOI-MRXNPFEDSA-N 1 2 426.539 -0.414 20 0 IBADLO CNc1ncnc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc21 ZINC001141571745 1073078351 /nfs/dbraw/zinc/07/83/51/1073078351.db2.gz HGLTUJPQBQOIBQ-UHFFFAOYSA-N 1 2 433.538 -0.079 20 0 IBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1(CS(C)(=O)=O)COC1 ZINC001141657443 1073079411 /nfs/dbraw/zinc/07/94/11/1073079411.db2.gz QLFXIGYRJQYMBI-UHFFFAOYSA-N 1 2 437.518 -0.266 20 0 IBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1(CS(C)(=O)=O)COC1 ZINC001141657443 1073079410 /nfs/dbraw/zinc/07/94/10/1073079410.db2.gz QLFXIGYRJQYMBI-UHFFFAOYSA-N 1 2 437.518 -0.266 20 0 IBADLO COC(=O)c1cnc(C[N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cn1 ZINC001141825062 1073080070 /nfs/dbraw/zinc/08/00/70/1073080070.db2.gz BLJDPVCJRNJOBR-FQEVSTJZSA-N 1 2 427.465 -0.164 20 0 IBADLO COC(=O)c1cnc(C[N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cn1 ZINC001141825062 1073080055 /nfs/dbraw/zinc/08/00/55/1073080055.db2.gz BLJDPVCJRNJOBR-FQEVSTJZSA-N 1 2 427.465 -0.164 20 0 IBADLO COC(=O)c1cnc(C[N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cn1 ZINC001141825063 1073080104 /nfs/dbraw/zinc/08/01/04/1073080104.db2.gz BLJDPVCJRNJOBR-HXUWFJFHSA-N 1 2 427.465 -0.164 20 0 IBADLO COC(=O)c1cnc(C[N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cn1 ZINC001141825063 1073080091 /nfs/dbraw/zinc/08/00/91/1073080091.db2.gz BLJDPVCJRNJOBR-HXUWFJFHSA-N 1 2 427.465 -0.164 20 0 IBADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001141917984 1073081288 /nfs/dbraw/zinc/08/12/88/1073081288.db2.gz LELFHLQKETWGMF-HNNXBMFYSA-N 1 2 430.552 -0.577 20 0 IBADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001141917985 1073081307 /nfs/dbraw/zinc/08/13/07/1073081307.db2.gz LELFHLQKETWGMF-OAHLLOKOSA-N 1 2 430.552 -0.577 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CNC(=O)c1cccnc1)CC2 ZINC001142107179 1073083862 /nfs/dbraw/zinc/08/38/62/1073083862.db2.gz BGPFYBKXNCHRQZ-UHFFFAOYSA-N 1 2 425.493 -0.483 20 0 IBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001142225757 1073084731 /nfs/dbraw/zinc/08/47/31/1073084731.db2.gz XCHUEHJPCDIOQD-UHFFFAOYSA-N 1 2 433.552 -0.405 20 0 IBADLO Cc1cn(CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001142315513 1073085423 /nfs/dbraw/zinc/08/54/23/1073085423.db2.gz UTCFTOOUKNPFSO-INIZCTEOSA-N 1 2 446.508 -0.534 20 0 IBADLO Cc1cn(CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001142315514 1073085328 /nfs/dbraw/zinc/08/53/28/1073085328.db2.gz UTCFTOOUKNPFSO-MRXNPFEDSA-N 1 2 446.508 -0.534 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)NCc1cccnc1 ZINC001142332741 1073085932 /nfs/dbraw/zinc/08/59/32/1073085932.db2.gz MQBMZKZRNKADGD-IRXDYDNUSA-N 1 2 441.492 -0.595 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)NCc1cccnc1 ZINC001142332741 1073085919 /nfs/dbraw/zinc/08/59/19/1073085919.db2.gz MQBMZKZRNKADGD-IRXDYDNUSA-N 1 2 441.492 -0.595 20 0 IBADLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142384368 1073086158 /nfs/dbraw/zinc/08/61/58/1073086158.db2.gz BKDUNZXDQMPIJD-UHFFFAOYSA-N 1 2 428.497 -0.418 20 0 IBADLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142384368 1073086147 /nfs/dbraw/zinc/08/61/47/1073086147.db2.gz BKDUNZXDQMPIJD-UHFFFAOYSA-N 1 2 428.497 -0.418 20 0 IBADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142385651 1073087377 /nfs/dbraw/zinc/08/73/77/1073087377.db2.gz UIXOCPMCHPTUMH-UHFFFAOYSA-N 1 2 443.512 -0.702 20 0 IBADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142385651 1073087369 /nfs/dbraw/zinc/08/73/69/1073087369.db2.gz UIXOCPMCHPTUMH-UHFFFAOYSA-N 1 2 443.512 -0.702 20 0 IBADLO Cn1c2ncn(CC(=O)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c2c(=O)n(C)c1=O ZINC001142385670 1073087441 /nfs/dbraw/zinc/08/74/41/1073087441.db2.gz UUMZNFJDXKHPAO-HNNXBMFYSA-N 1 2 441.492 -0.285 20 0 IBADLO Cn1c2ncn(CC(=O)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c2c(=O)n(C)c1=O ZINC001142385671 1073087347 /nfs/dbraw/zinc/08/73/47/1073087347.db2.gz UUMZNFJDXKHPAO-OAHLLOKOSA-N 1 2 441.492 -0.285 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1c2ccccc2oc1=O ZINC001142445662 1073089992 /nfs/dbraw/zinc/08/99/92/1073089992.db2.gz BHOJOSWIZWOPBC-HOCLYGCPSA-N 1 2 440.460 -0.089 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1c2ccccc2oc1=O ZINC001142445662 1073089980 /nfs/dbraw/zinc/08/99/80/1073089980.db2.gz BHOJOSWIZWOPBC-HOCLYGCPSA-N 1 2 440.460 -0.089 20 0 IBADLO COc1ncc(C=CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)n1 ZINC001142454688 1073089803 /nfs/dbraw/zinc/08/98/03/1073089803.db2.gz XUSBJQQIEXPPCS-WHJWBVKISA-N 1 2 443.464 -0.566 20 0 IBADLO COc1ncc(C=CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)n1 ZINC001142454688 1073089793 /nfs/dbraw/zinc/08/97/93/1073089793.db2.gz XUSBJQQIEXPPCS-WHJWBVKISA-N 1 2 443.464 -0.566 20 0 IBADLO COC(=O)[C@H]1CCCN(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001142700302 1073091143 /nfs/dbraw/zinc/09/11/43/1073091143.db2.gz FDJPYFDUUIFTFT-INIZCTEOSA-N 1 2 431.493 -0.352 20 0 IBADLO COC(=O)[C@@H]1CCCN(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001142700308 1073091083 /nfs/dbraw/zinc/09/10/83/1073091083.db2.gz FDJPYFDUUIFTFT-MRXNPFEDSA-N 1 2 431.493 -0.352 20 0 IBADLO CC1(C)C[N@@H+](CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC001142810264 1073091834 /nfs/dbraw/zinc/09/18/34/1073091834.db2.gz HKAZLLZCURAUDQ-UHFFFAOYSA-N 1 2 433.552 -0.405 20 0 IBADLO CC1(C)C[N@H+](CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC001142810264 1073091821 /nfs/dbraw/zinc/09/18/21/1073091821.db2.gz HKAZLLZCURAUDQ-UHFFFAOYSA-N 1 2 433.552 -0.405 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC001142974767 1073093049 /nfs/dbraw/zinc/09/30/49/1073093049.db2.gz PAIABLIJIKGENB-IRXDYDNUSA-N 1 2 447.517 -0.223 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC001142974767 1073093036 /nfs/dbraw/zinc/09/30/36/1073093036.db2.gz PAIABLIJIKGENB-IRXDYDNUSA-N 1 2 447.517 -0.223 20 0 IBADLO Cc1ccc(S(=O)(=O)CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143006675 1073093772 /nfs/dbraw/zinc/09/37/72/1073093772.db2.gz KRXSXYOPCLWXDU-IRXDYDNUSA-N 1 2 447.517 -0.304 20 0 IBADLO Cc1ccc(S(=O)(=O)CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143006675 1073093762 /nfs/dbraw/zinc/09/37/62/1073093762.db2.gz KRXSXYOPCLWXDU-IRXDYDNUSA-N 1 2 447.517 -0.304 20 0 IBADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001143031156 1073094270 /nfs/dbraw/zinc/09/42/70/1073094270.db2.gz TUNZNGGCJAHXLD-LMMKCTJWSA-N 1 2 435.525 -0.824 20 0 IBADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001143031157 1073094222 /nfs/dbraw/zinc/09/42/22/1073094222.db2.gz TUNZNGGCJAHXLD-SCTDSRPQSA-N 1 2 435.525 -0.824 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3(S(N)(=O)=O)CC3)cc2)CC1 ZINC001143464282 1071276739 /nfs/dbraw/zinc/27/67/39/1071276739.db2.gz HVVWWKHRFQHQSO-UHFFFAOYSA-N 1 2 438.550 -0.291 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CCNC(=O)C3)cc2)CC1 ZINC001143464863 1071279725 /nfs/dbraw/zinc/27/97/25/1071279725.db2.gz LOEHUPULNWUECR-UHFFFAOYSA-N 1 2 431.537 -0.680 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)CC1 ZINC001143465552 1071286260 /nfs/dbraw/zinc/28/62/60/1071286260.db2.gz VCPKPGQGQQMMOZ-SFHVURJKSA-N 1 2 431.493 -0.514 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001143468970 1071312448 /nfs/dbraw/zinc/31/24/48/1071312448.db2.gz DCCZUVKEFMGPJR-DOTOQJQBSA-N 1 2 426.539 -0.228 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001143468973 1071312642 /nfs/dbraw/zinc/31/26/42/1071312642.db2.gz DCCZUVKEFMGPJR-NVXWUHKLSA-N 1 2 426.539 -0.228 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001143468975 1071312884 /nfs/dbraw/zinc/31/28/84/1071312884.db2.gz DCCZUVKEFMGPJR-RDJZCZTQSA-N 1 2 426.539 -0.228 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001143468977 1071312413 /nfs/dbraw/zinc/31/24/13/1071312413.db2.gz DCCZUVKEFMGPJR-WBVHZDCISA-N 1 2 426.539 -0.228 20 0 IBADLO COc1cc(C[C@@H](O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001143604569 1073347056 /nfs/dbraw/zinc/34/70/56/1073347056.db2.gz GXWQYASTMJJCEL-YQQAZPJKSA-N 1 2 445.476 -0.769 20 0 IBADLO COc1cc(C[C@@H](O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001143604569 1073347048 /nfs/dbraw/zinc/34/70/48/1073347048.db2.gz GXWQYASTMJJCEL-YQQAZPJKSA-N 1 2 445.476 -0.769 20 0 IBADLO COc1cc(C[C@H](O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001143604570 1073347437 /nfs/dbraw/zinc/34/74/37/1073347437.db2.gz GXWQYASTMJJCEL-ZOBUZTSGSA-N 1 2 445.476 -0.769 20 0 IBADLO COc1cc(C[C@H](O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001143604570 1073347426 /nfs/dbraw/zinc/34/74/26/1073347426.db2.gz GXWQYASTMJJCEL-ZOBUZTSGSA-N 1 2 445.476 -0.769 20 0 IBADLO C[NH+]1CCN(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)CC1 ZINC001144350775 1074073246 /nfs/dbraw/zinc/07/32/46/1074073246.db2.gz ZXHKXGMESCKJFG-UHFFFAOYSA-N 1 2 445.492 -0.245 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CCCS(N)(=O)=O)C2 ZINC001144583348 1074075830 /nfs/dbraw/zinc/07/58/30/1074075830.db2.gz VMMIUOBJSSVOBG-HNNXBMFYSA-N 1 2 429.543 -0.737 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CCCS(N)(=O)=O)C2 ZINC001144583350 1074075697 /nfs/dbraw/zinc/07/56/97/1074075697.db2.gz VMMIUOBJSSVOBG-OAHLLOKOSA-N 1 2 429.543 -0.737 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001144656922 1074076641 /nfs/dbraw/zinc/07/66/41/1074076641.db2.gz MAMLJWPXJYPBHR-HNNXBMFYSA-N 1 2 426.543 -0.320 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001144656922 1074076633 /nfs/dbraw/zinc/07/66/33/1074076633.db2.gz MAMLJWPXJYPBHR-HNNXBMFYSA-N 1 2 426.543 -0.320 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001144656923 1074076590 /nfs/dbraw/zinc/07/65/90/1074076590.db2.gz MAMLJWPXJYPBHR-OAHLLOKOSA-N 1 2 426.543 -0.320 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001144656923 1074076575 /nfs/dbraw/zinc/07/65/75/1074076575.db2.gz MAMLJWPXJYPBHR-OAHLLOKOSA-N 1 2 426.543 -0.320 20 0 IBADLO CSCC[C@H](NC(C)=O)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001144856541 1074078002 /nfs/dbraw/zinc/07/80/02/1074078002.db2.gz AOOGBXYNYHFGAD-INIZCTEOSA-N 1 2 436.582 -0.050 20 0 IBADLO Cc1ccc(C(=O)NCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144883066 1074078040 /nfs/dbraw/zinc/07/80/40/1074078040.db2.gz YAUDXYUMQCKTDF-IRXDYDNUSA-N 1 2 426.477 -0.348 20 0 IBADLO Cc1ccc(C(=O)NCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144883066 1074078034 /nfs/dbraw/zinc/07/80/34/1074078034.db2.gz YAUDXYUMQCKTDF-IRXDYDNUSA-N 1 2 426.477 -0.348 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)NC(C)=O ZINC001144957251 1074082792 /nfs/dbraw/zinc/08/27/92/1074082792.db2.gz IXLWJPXSEXISLD-INIZCTEOSA-N 1 2 430.465 -0.322 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)NC(C)=O ZINC001144957506 1074083426 /nfs/dbraw/zinc/08/34/26/1074083426.db2.gz RLJFLPREOFIKMA-INIZCTEOSA-N 1 2 448.524 -0.850 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)NC(C)=O ZINC001144957671 1074083362 /nfs/dbraw/zinc/08/33/62/1074083362.db2.gz WMLHDYCGNXBHPT-FTRWYGJKSA-N 1 2 427.498 -0.301 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)NC(C)=O ZINC001144957672 1074083500 /nfs/dbraw/zinc/08/35/00/1074083500.db2.gz WMLHDYCGNXBHPT-GQIGUUNPSA-N 1 2 427.498 -0.301 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)NC(C)=O ZINC001144957673 1074083405 /nfs/dbraw/zinc/08/34/05/1074083405.db2.gz WMLHDYCGNXBHPT-GUXCAODWSA-N 1 2 427.498 -0.301 20 0 IBADLO COC(=O)[C@H](CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)NC(C)=O ZINC001144957674 1074083295 /nfs/dbraw/zinc/08/32/95/1074083295.db2.gz WMLHDYCGNXBHPT-TWOQFEAHSA-N 1 2 427.498 -0.301 20 0 IBADLO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001146238133 1074092684 /nfs/dbraw/zinc/09/26/84/1074092684.db2.gz RQGPWRMDQTUTOT-UHFFFAOYSA-N 1 2 432.485 -0.104 20 0 IBADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001146255275 1074091799 /nfs/dbraw/zinc/09/17/99/1074091799.db2.gz OPZHZBSBPUYRMS-SJORKVTESA-N 1 2 438.554 -0.015 20 0 IBADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001146255275 1074091795 /nfs/dbraw/zinc/09/17/95/1074091795.db2.gz OPZHZBSBPUYRMS-SJORKVTESA-N 1 2 438.554 -0.015 20 0 IBADLO CC1(C)[C@H](C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146255364 1074091825 /nfs/dbraw/zinc/09/18/25/1074091825.db2.gz ZBPRHCKWHPCWMZ-CVEARBPZSA-N 1 2 433.494 -0.611 20 0 IBADLO C[N@@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146265910 1074093059 /nfs/dbraw/zinc/09/30/59/1074093059.db2.gz DXYHGYMTQZGCOW-KGLIPLIRSA-N 1 2 432.543 -0.307 20 0 IBADLO C[N@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146265910 1074093049 /nfs/dbraw/zinc/09/30/49/1074093049.db2.gz DXYHGYMTQZGCOW-KGLIPLIRSA-N 1 2 432.543 -0.307 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC001146271949 1074093099 /nfs/dbraw/zinc/09/30/99/1074093099.db2.gz XGSDJOJHGNMGAF-GFCCVEGCSA-N 1 2 430.914 -0.350 20 0 IBADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC001146271950 1074092906 /nfs/dbraw/zinc/09/29/06/1074092906.db2.gz XGSDJOJHGNMGAF-LBPRGKRZSA-N 1 2 430.914 -0.350 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146444160 1074094615 /nfs/dbraw/zinc/09/46/15/1074094615.db2.gz PDYDYSZDBDPIOI-KBPBESRZSA-N 1 2 440.501 -0.038 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146444161 1074094649 /nfs/dbraw/zinc/09/46/49/1074094649.db2.gz PDYDYSZDBDPIOI-UONOGXRCSA-N 1 2 440.501 -0.038 20 0 IBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001146782316 1074097811 /nfs/dbraw/zinc/09/78/11/1074097811.db2.gz MAXYUUBUNYRXOF-AWEZNQCLSA-N 1 2 436.575 -0.207 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc3n(n1)CCNC3=O)C2 ZINC001147543218 1074102229 /nfs/dbraw/zinc/10/22/29/1074102229.db2.gz DCUAWMSPWNMHGR-HNNXBMFYSA-N 1 2 443.508 -0.552 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc3n(n1)CCNC3=O)C2 ZINC001147543219 1074102242 /nfs/dbraw/zinc/10/22/42/1074102242.db2.gz DCUAWMSPWNMHGR-OAHLLOKOSA-N 1 2 443.508 -0.552 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001147642712 1074103160 /nfs/dbraw/zinc/10/31/60/1074103160.db2.gz WTPOIYKAFLUDLI-LLGFUMIMSA-N 1 2 443.541 -0.019 20 0 IBADLO CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001147642714 1074103147 /nfs/dbraw/zinc/10/31/47/1074103147.db2.gz WTPOIYKAFLUDLI-WWMYMODYSA-N 1 2 443.541 -0.019 20 0 IBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001147734171 1074105551 /nfs/dbraw/zinc/10/55/51/1074105551.db2.gz JRDAOLHNJHBDSM-INIZCTEOSA-N 1 2 447.540 -0.632 20 0 IBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001147734171 1074105548 /nfs/dbraw/zinc/10/55/48/1074105548.db2.gz JRDAOLHNJHBDSM-INIZCTEOSA-N 1 2 447.540 -0.632 20 0 IBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001147734172 1074105538 /nfs/dbraw/zinc/10/55/38/1074105538.db2.gz JRDAOLHNJHBDSM-MRXNPFEDSA-N 1 2 447.540 -0.632 20 0 IBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001147734172 1074105530 /nfs/dbraw/zinc/10/55/30/1074105530.db2.gz JRDAOLHNJHBDSM-MRXNPFEDSA-N 1 2 447.540 -0.632 20 0 IBADLO C[C@@]1(CCCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)NC(=O)NC1=O ZINC001147734638 1074105367 /nfs/dbraw/zinc/10/53/67/1074105367.db2.gz PRNNDZMLKMGZTD-FQEVSTJZSA-N 1 2 431.497 -0.270 20 0 IBADLO C[C@@]1(CCCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)NC(=O)NC1=O ZINC001147734638 1074105358 /nfs/dbraw/zinc/10/53/58/1074105358.db2.gz PRNNDZMLKMGZTD-FQEVSTJZSA-N 1 2 431.497 -0.270 20 0 IBADLO C[C@]1(CCCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)NC(=O)NC1=O ZINC001147734639 1074105327 /nfs/dbraw/zinc/10/53/27/1074105327.db2.gz PRNNDZMLKMGZTD-HXUWFJFHSA-N 1 2 431.497 -0.270 20 0 IBADLO C[C@]1(CCCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)NC(=O)NC1=O ZINC001147734639 1074105318 /nfs/dbraw/zinc/10/53/18/1074105318.db2.gz PRNNDZMLKMGZTD-HXUWFJFHSA-N 1 2 431.497 -0.270 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1nccnc1C(N)=O)C2 ZINC001147753780 1074105869 /nfs/dbraw/zinc/10/58/69/1074105869.db2.gz ZNNBTMMIVWVPIY-AWEZNQCLSA-N 1 2 429.481 -0.603 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1nccnc1C(N)=O)C2 ZINC001147753781 1074105930 /nfs/dbraw/zinc/10/59/30/1074105930.db2.gz ZNNBTMMIVWVPIY-CQSZACIVSA-N 1 2 429.481 -0.603 20 0 IBADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001147763134 1074104874 /nfs/dbraw/zinc/10/48/74/1074104874.db2.gz ADJWSDKGTXGDPH-HNNXBMFYSA-N 1 2 426.514 -0.592 20 0 IBADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001147763135 1074104861 /nfs/dbraw/zinc/10/48/61/1074104861.db2.gz ADJWSDKGTXGDPH-OAHLLOKOSA-N 1 2 426.514 -0.592 20 0 IBADLO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147764858 1074104872 /nfs/dbraw/zinc/10/48/72/1074104872.db2.gz QDJGJNFKKFHSPH-INIZCTEOSA-N 1 2 438.550 -0.092 20 0 IBADLO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147764863 1074104828 /nfs/dbraw/zinc/10/48/28/1074104828.db2.gz QDJGJNFKKFHSPH-MRXNPFEDSA-N 1 2 438.550 -0.092 20 0 IBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765286 1074104882 /nfs/dbraw/zinc/10/48/82/1074104882.db2.gz SVVLWJXKWNBXLH-KRWDZBQOSA-N 1 2 439.534 -0.956 20 0 IBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765296 1074104877 /nfs/dbraw/zinc/10/48/77/1074104877.db2.gz SVVLWJXKWNBXLH-QGZVFWFLSA-N 1 2 439.534 -0.956 20 0 IBADLO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765511 1074105496 /nfs/dbraw/zinc/10/54/96/1074105496.db2.gz VDMXAXGSASBARX-CYBMUJFWSA-N 1 2 428.486 -0.556 20 0 IBADLO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765515 1074105443 /nfs/dbraw/zinc/10/54/43/1074105443.db2.gz VDMXAXGSASBARX-ZDUSSCGKSA-N 1 2 428.486 -0.556 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001147819932 1074107505 /nfs/dbraw/zinc/10/75/05/1074107505.db2.gz APFNLKRTORHOOQ-NRFANRHFSA-N 1 2 440.541 -0.202 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001147819932 1074107502 /nfs/dbraw/zinc/10/75/02/1074107502.db2.gz APFNLKRTORHOOQ-NRFANRHFSA-N 1 2 440.541 -0.202 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001147819933 1074107429 /nfs/dbraw/zinc/10/74/29/1074107429.db2.gz APFNLKRTORHOOQ-OAQYLSRUSA-N 1 2 440.541 -0.202 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001147819933 1074107427 /nfs/dbraw/zinc/10/74/27/1074107427.db2.gz APFNLKRTORHOOQ-OAQYLSRUSA-N 1 2 440.541 -0.202 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC001147820223 1074107477 /nfs/dbraw/zinc/10/74/77/1074107477.db2.gz DCLHQOOQFIFOSP-FQEVSTJZSA-N 1 2 439.534 -0.273 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC001147820223 1074107475 /nfs/dbraw/zinc/10/74/75/1074107475.db2.gz DCLHQOOQFIFOSP-FQEVSTJZSA-N 1 2 439.534 -0.273 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC001147820226 1074107462 /nfs/dbraw/zinc/10/74/62/1074107462.db2.gz DCLHQOOQFIFOSP-HXUWFJFHSA-N 1 2 439.534 -0.273 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC001147820226 1074107461 /nfs/dbraw/zinc/10/74/61/1074107461.db2.gz DCLHQOOQFIFOSP-HXUWFJFHSA-N 1 2 439.534 -0.273 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001147823533 1074107510 /nfs/dbraw/zinc/10/75/10/1074107510.db2.gz TYWVNDKQDHZGDZ-FQEVSTJZSA-N 1 2 426.535 -0.273 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001147823533 1074107509 /nfs/dbraw/zinc/10/75/09/1074107509.db2.gz TYWVNDKQDHZGDZ-FQEVSTJZSA-N 1 2 426.535 -0.273 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001147823534 1074107456 /nfs/dbraw/zinc/10/74/56/1074107456.db2.gz TYWVNDKQDHZGDZ-HXUWFJFHSA-N 1 2 426.535 -0.273 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001147823534 1074107454 /nfs/dbraw/zinc/10/74/54/1074107454.db2.gz TYWVNDKQDHZGDZ-HXUWFJFHSA-N 1 2 426.535 -0.273 20 0 IBADLO Cc1ncc(CO)c(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1O ZINC001147836870 1074108120 /nfs/dbraw/zinc/10/81/20/1074108120.db2.gz SHPMQLACFKAIHL-UHFFFAOYSA-N 1 2 428.493 -0.092 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cncc(Br)n1 ZINC001147879037 1074108188 /nfs/dbraw/zinc/10/81/88/1074108188.db2.gz ZMNBPKRLPLPNCI-JQWIXIFHSA-N 1 2 436.270 -0.220 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncc(Br)n1 ZINC001147879037 1074108185 /nfs/dbraw/zinc/10/81/85/1074108185.db2.gz ZMNBPKRLPLPNCI-JQWIXIFHSA-N 1 2 436.270 -0.220 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC001147896366 1074108266 /nfs/dbraw/zinc/10/82/66/1074108266.db2.gz AZVIQUMTUHTIHC-CABCVRRESA-N 1 2 446.570 -0.133 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001147896366 1074108262 /nfs/dbraw/zinc/10/82/62/1074108262.db2.gz AZVIQUMTUHTIHC-CABCVRRESA-N 1 2 446.570 -0.133 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC001147896369 1074108200 /nfs/dbraw/zinc/10/82/00/1074108200.db2.gz AZVIQUMTUHTIHC-GJZGRUSLSA-N 1 2 446.570 -0.133 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001147896369 1074108198 /nfs/dbraw/zinc/10/81/98/1074108198.db2.gz AZVIQUMTUHTIHC-GJZGRUSLSA-N 1 2 446.570 -0.133 20 0 IBADLO CC(C)(C)OC(=O)C1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCS(=O)(=O)CC1 ZINC001147897583 1074108676 /nfs/dbraw/zinc/10/86/76/1074108676.db2.gz JFICNILUXFHDJL-AWEZNQCLSA-N 1 2 431.555 -0.021 20 0 IBADLO CC(C)(C)OC(=O)C1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCS(=O)(=O)CC1 ZINC001147897583 1074108671 /nfs/dbraw/zinc/10/86/71/1074108671.db2.gz JFICNILUXFHDJL-AWEZNQCLSA-N 1 2 431.555 -0.021 20 0 IBADLO COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015984 1074109511 /nfs/dbraw/zinc/10/95/11/1074109511.db2.gz XVIRYRIBVVWOKW-DYESRHJHSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015984 1074109510 /nfs/dbraw/zinc/10/95/10/1074109510.db2.gz XVIRYRIBVVWOKW-DYESRHJHSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@@]1(N2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015985 1074109455 /nfs/dbraw/zinc/10/94/55/1074109455.db2.gz XVIRYRIBVVWOKW-LAUBAEHRSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@@]1(N2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015985 1074109454 /nfs/dbraw/zinc/10/94/54/1074109454.db2.gz XVIRYRIBVVWOKW-LAUBAEHRSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@]1(N2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015986 1074109499 /nfs/dbraw/zinc/10/94/99/1074109499.db2.gz XVIRYRIBVVWOKW-UTKZUKDTSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@]1(N2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015986 1074109495 /nfs/dbraw/zinc/10/94/95/1074109495.db2.gz XVIRYRIBVVWOKW-UTKZUKDTSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@]1(N2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015987 1074109478 /nfs/dbraw/zinc/10/94/78/1074109478.db2.gz XVIRYRIBVVWOKW-UWJYYQICSA-N 1 2 435.525 -0.041 20 0 IBADLO COC(=O)[C@]1(N2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)CC2)CCOC1 ZINC001148015987 1074109475 /nfs/dbraw/zinc/10/94/75/1074109475.db2.gz XVIRYRIBVVWOKW-UWJYYQICSA-N 1 2 435.525 -0.041 20 0 IBADLO CN1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001148268106 1074112143 /nfs/dbraw/zinc/11/21/43/1074112143.db2.gz SNCOFVKOJNYSMZ-INIZCTEOSA-N 1 2 447.540 -0.208 20 0 IBADLO CN1C[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001148268107 1074111849 /nfs/dbraw/zinc/11/18/49/1074111849.db2.gz SNCOFVKOJNYSMZ-MRXNPFEDSA-N 1 2 447.540 -0.208 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001148300481 1074111802 /nfs/dbraw/zinc/11/18/02/1074111802.db2.gz IEOZATGOGXWOMR-UHFFFAOYSA-N 1 2 428.511 -0.775 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001148300481 1074111799 /nfs/dbraw/zinc/11/17/99/1074111799.db2.gz IEOZATGOGXWOMR-UHFFFAOYSA-N 1 2 428.511 -0.775 20 0 IBADLO CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001148360576 1074112493 /nfs/dbraw/zinc/11/24/93/1074112493.db2.gz JCPLNZGMOFGJMN-HOTGVXAUSA-N 1 2 433.490 -0.369 20 0 IBADLO CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001148360576 1074112486 /nfs/dbraw/zinc/11/24/86/1074112486.db2.gz JCPLNZGMOFGJMN-HOTGVXAUSA-N 1 2 433.490 -0.369 20 0 IBADLO NS(=O)(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC001148801160 1074115131 /nfs/dbraw/zinc/11/51/31/1074115131.db2.gz DYMRGWIRYXLPSI-AWEZNQCLSA-N 1 2 428.486 -0.730 20 0 IBADLO NS(=O)(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC001148801161 1074115052 /nfs/dbraw/zinc/11/50/52/1074115052.db2.gz DYMRGWIRYXLPSI-CQSZACIVSA-N 1 2 428.486 -0.730 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001149113193 1073097908 /nfs/dbraw/zinc/09/79/08/1073097908.db2.gz FPPFTWSERIRKBF-KRWDZBQOSA-N 1 2 436.490 -0.045 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001149113194 1073097937 /nfs/dbraw/zinc/09/79/37/1073097937.db2.gz FPPFTWSERIRKBF-QGZVFWFLSA-N 1 2 436.490 -0.045 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=CN3NC=CC=C3N1)C2 ZINC001149436557 1073098267 /nfs/dbraw/zinc/09/82/67/1073098267.db2.gz LSRZFKVGCARHLE-INIZCTEOSA-N 1 2 427.509 -0.185 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=CN3NC=CC=C3N1)C2 ZINC001149436559 1073098486 /nfs/dbraw/zinc/09/84/86/1073098486.db2.gz LSRZFKVGCARHLE-MRXNPFEDSA-N 1 2 427.509 -0.185 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=CNN3C=CNC=C13)C2 ZINC001149453376 1073098807 /nfs/dbraw/zinc/09/88/07/1073098807.db2.gz AJVKUHQRZYLCLG-INIZCTEOSA-N 1 2 427.509 -0.185 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=CNN3C=CNC=C13)C2 ZINC001149453381 1073098910 /nfs/dbraw/zinc/09/89/10/1073098910.db2.gz AJVKUHQRZYLCLG-MRXNPFEDSA-N 1 2 427.509 -0.185 20 0 IBADLO Cc1cc2nnc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)c(C)n2n1 ZINC001149626193 1073099271 /nfs/dbraw/zinc/09/92/71/1073099271.db2.gz RFACSAYPMQJEPI-KBPBESRZSA-N 1 2 425.453 -0.718 20 0 IBADLO Cc1cc2nnc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)c(C)n2n1 ZINC001149626193 1073099262 /nfs/dbraw/zinc/09/92/62/1073099262.db2.gz RFACSAYPMQJEPI-KBPBESRZSA-N 1 2 425.453 -0.718 20 0 IBADLO CNc1ccc2ncc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)n2n1 ZINC001149640847 1073099235 /nfs/dbraw/zinc/09/92/35/1073099235.db2.gz CUTKDVKWFOKWKG-STQMWFEESA-N 1 2 425.453 -0.689 20 0 IBADLO CNc1ccc2ncc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)n2n1 ZINC001149640847 1073099223 /nfs/dbraw/zinc/09/92/23/1073099223.db2.gz CUTKDVKWFOKWKG-STQMWFEESA-N 1 2 425.453 -0.689 20 0 IBADLO COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001149727111 1073099755 /nfs/dbraw/zinc/09/97/55/1073099755.db2.gz XLEQASGVVUDDNB-HNNXBMFYSA-N 1 2 443.522 -0.458 20 0 IBADLO COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001149727113 1073099659 /nfs/dbraw/zinc/09/96/59/1073099659.db2.gz XLEQASGVVUDDNB-OAHLLOKOSA-N 1 2 443.522 -0.458 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001149727314 1073099539 /nfs/dbraw/zinc/09/95/39/1073099539.db2.gz ZUUJAGCIYHLCQZ-KRWDZBQOSA-N 1 2 425.507 -0.273 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001149727316 1073099782 /nfs/dbraw/zinc/09/97/82/1073099782.db2.gz ZUUJAGCIYHLCQZ-QGZVFWFLSA-N 1 2 425.507 -0.273 20 0 IBADLO COc1cccc(C[NH+]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c1 ZINC001150163494 1073101672 /nfs/dbraw/zinc/10/16/72/1073101672.db2.gz PWAQULKQXNYJIR-UHFFFAOYSA-N 1 2 435.506 -0.255 20 0 IBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H](O)CO)cn21 ZINC001150332680 1073104300 /nfs/dbraw/zinc/10/43/00/1073104300.db2.gz JGBIKHZDVHSPKG-QZTJIDSGSA-N 1 2 425.493 -0.304 20 0 IBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H](O)CO)cn21 ZINC001150332680 1073104297 /nfs/dbraw/zinc/10/42/97/1073104297.db2.gz JGBIKHZDVHSPKG-QZTJIDSGSA-N 1 2 425.493 -0.304 20 0 IBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H](CO)C(N)=O)cn21 ZINC001150334056 1073104398 /nfs/dbraw/zinc/10/43/98/1073104398.db2.gz RVRZSXAOHKUNLH-DLBZAZTESA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H](CO)C(N)=O)cn21 ZINC001150334056 1073104394 /nfs/dbraw/zinc/10/43/94/1073104394.db2.gz RVRZSXAOHKUNLH-DLBZAZTESA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@H](CO)C(N)=O)cn21 ZINC001150334057 1073104268 /nfs/dbraw/zinc/10/42/68/1073104268.db2.gz RVRZSXAOHKUNLH-IAGOWNOFSA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@H](CO)C(N)=O)cn21 ZINC001150334057 1073104265 /nfs/dbraw/zinc/10/42/65/1073104265.db2.gz RVRZSXAOHKUNLH-IAGOWNOFSA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H](CO)C(N)=O)cn21 ZINC001150334058 1073104387 /nfs/dbraw/zinc/10/43/87/1073104387.db2.gz RVRZSXAOHKUNLH-IRXDYDNUSA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H](CO)C(N)=O)cn21 ZINC001150334058 1073104385 /nfs/dbraw/zinc/10/43/85/1073104385.db2.gz RVRZSXAOHKUNLH-IRXDYDNUSA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@H](CO)C(N)=O)cn21 ZINC001150334059 1073104325 /nfs/dbraw/zinc/10/43/25/1073104325.db2.gz RVRZSXAOHKUNLH-SJORKVTESA-N 1 2 438.492 -0.811 20 0 IBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@H](CO)C(N)=O)cn21 ZINC001150334059 1073104322 /nfs/dbraw/zinc/10/43/22/1073104322.db2.gz RVRZSXAOHKUNLH-SJORKVTESA-N 1 2 438.492 -0.811 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)cn32)C1 ZINC001150420837 1073108509 /nfs/dbraw/zinc/10/85/09/1073108509.db2.gz BRJZEYWJGOSMFY-DLBZAZTESA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NC[C@H]4C[N@H+](C)CCO4)cn32)C1 ZINC001150420837 1073108505 /nfs/dbraw/zinc/10/85/05/1073108505.db2.gz BRJZEYWJGOSMFY-DLBZAZTESA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)cn32)C1 ZINC001150420838 1073108590 /nfs/dbraw/zinc/10/85/90/1073108590.db2.gz BRJZEYWJGOSMFY-IAGOWNOFSA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)cn32)C1 ZINC001150420838 1073108586 /nfs/dbraw/zinc/10/85/86/1073108586.db2.gz BRJZEYWJGOSMFY-IAGOWNOFSA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)cn32)C1 ZINC001150420839 1073108555 /nfs/dbraw/zinc/10/85/55/1073108555.db2.gz BRJZEYWJGOSMFY-IRXDYDNUSA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@H]4C[N@H+](C)CCO4)cn32)C1 ZINC001150420839 1073108550 /nfs/dbraw/zinc/10/85/50/1073108550.db2.gz BRJZEYWJGOSMFY-IRXDYDNUSA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)cn32)C1 ZINC001150420840 1073108605 /nfs/dbraw/zinc/10/86/05/1073108605.db2.gz BRJZEYWJGOSMFY-SJORKVTESA-N 1 2 444.540 -0.240 20 0 IBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)cn32)C1 ZINC001150420840 1073108600 /nfs/dbraw/zinc/10/86/00/1073108600.db2.gz BRJZEYWJGOSMFY-SJORKVTESA-N 1 2 444.540 -0.240 20 0 IBADLO COCC[NH+]1CCN(C(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)CC1 ZINC001150455891 1073113712 /nfs/dbraw/zinc/11/37/12/1073113712.db2.gz GXFAFSRTYQUUKZ-HNNXBMFYSA-N 1 2 436.538 -0.118 20 0 IBADLO COCC[NH+]1CCN(C(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)CC1 ZINC001150455892 1073113625 /nfs/dbraw/zinc/11/36/25/1073113625.db2.gz GXFAFSRTYQUUKZ-OAHLLOKOSA-N 1 2 436.538 -0.118 20 0 IBADLO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC[NH+]4CC5(COC5)C4)cn32)C1 ZINC001150457510 1073114070 /nfs/dbraw/zinc/11/40/70/1073114070.db2.gz OVLGMNVJKGLLQA-AWEZNQCLSA-N 1 2 434.522 -0.460 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC[NH+]4CC5(COC5)C4)cn32)C1 ZINC001150457512 1073113982 /nfs/dbraw/zinc/11/39/82/1073113982.db2.gz OVLGMNVJKGLLQA-CQSZACIVSA-N 1 2 434.522 -0.460 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH+]c[nH]4)cn32)C1 ZINC001150458322 1073114168 /nfs/dbraw/zinc/11/41/68/1073114168.db2.gz UDQRXZWCYKJJJE-IUODEOHRSA-N 1 2 433.494 -0.465 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH]c[nH+]4)cn32)C1 ZINC001150458322 1073114163 /nfs/dbraw/zinc/11/41/63/1073114163.db2.gz UDQRXZWCYKJJJE-IUODEOHRSA-N 1 2 433.494 -0.465 20 0 IBADLO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH+]c[nH]4)cn32)C1 ZINC001150458324 1073114109 /nfs/dbraw/zinc/11/41/09/1073114109.db2.gz UDQRXZWCYKJJJE-SWLSCSKDSA-N 1 2 433.494 -0.465 20 0 IBADLO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH]c[nH+]4)cn32)C1 ZINC001150458324 1073114104 /nfs/dbraw/zinc/11/41/04/1073114104.db2.gz UDQRXZWCYKJJJE-SWLSCSKDSA-N 1 2 433.494 -0.465 20 0 IBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC001150550957 1073115554 /nfs/dbraw/zinc/11/55/54/1073115554.db2.gz PGDONDGOGGIJHI-HNNXBMFYSA-N 1 2 432.477 -0.307 20 0 IBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC001150550958 1073115594 /nfs/dbraw/zinc/11/55/94/1073115594.db2.gz PGDONDGOGGIJHI-OAHLLOKOSA-N 1 2 432.477 -0.307 20 0 IBADLO O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001150568465 1073115646 /nfs/dbraw/zinc/11/56/46/1073115646.db2.gz UGVLWBKHXKKSIZ-PMACEKPBSA-N 1 2 431.537 -0.421 20 0 IBADLO O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001150568466 1073115661 /nfs/dbraw/zinc/11/56/61/1073115661.db2.gz UGVLWBKHXKKSIZ-UXHICEINSA-N 1 2 431.537 -0.421 20 0 IBADLO O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001150568567 1073115632 /nfs/dbraw/zinc/11/56/32/1073115632.db2.gz UGVLWBKHXKKSIZ-VQTJNVASSA-N 1 2 431.537 -0.421 20 0 IBADLO O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001150568568 1073115613 /nfs/dbraw/zinc/11/56/13/1073115613.db2.gz UGVLWBKHXKKSIZ-WOJBJXKFSA-N 1 2 431.537 -0.421 20 0 IBADLO Cc1cc(C)n2nc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)nc2n1 ZINC001150722602 1073116882 /nfs/dbraw/zinc/11/68/82/1073116882.db2.gz ZOYBPPBDXSVMIP-KBPBESRZSA-N 1 2 425.453 -0.718 20 0 IBADLO Cc1cc(C)n2nc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)nc2n1 ZINC001150722602 1073116879 /nfs/dbraw/zinc/11/68/79/1073116879.db2.gz ZOYBPPBDXSVMIP-KBPBESRZSA-N 1 2 425.453 -0.718 20 0 IBADLO CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151070241 1073118048 /nfs/dbraw/zinc/11/80/48/1073118048.db2.gz BYPRDXLNZLZHBW-DLBZAZTESA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151070242 1073117974 /nfs/dbraw/zinc/11/79/74/1073117974.db2.gz BYPRDXLNZLZHBW-IAGOWNOFSA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151070243 1073118014 /nfs/dbraw/zinc/11/80/14/1073118014.db2.gz BYPRDXLNZLZHBW-IRXDYDNUSA-N 1 2 440.541 -0.081 20 0 IBADLO CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151070244 1073118100 /nfs/dbraw/zinc/11/81/00/1073118100.db2.gz BYPRDXLNZLZHBW-SJORKVTESA-N 1 2 440.541 -0.081 20 0 IBADLO C[C@H]1Oc2cc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2NC1=O ZINC001151212681 1073118702 /nfs/dbraw/zinc/11/87/02/1073118702.db2.gz WTGVAYJGKWHKSQ-RLCCDNCMSA-N 1 2 440.460 -0.054 20 0 IBADLO C[C@H]1Oc2cc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2NC1=O ZINC001151212681 1073118699 /nfs/dbraw/zinc/11/86/99/1073118699.db2.gz WTGVAYJGKWHKSQ-RLCCDNCMSA-N 1 2 440.460 -0.054 20 0 IBADLO C[C@@H]1Oc2cc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2NC1=O ZINC001151212682 1073118722 /nfs/dbraw/zinc/11/87/22/1073118722.db2.gz WTGVAYJGKWHKSQ-UVBJJODRSA-N 1 2 440.460 -0.054 20 0 IBADLO C[C@@H]1Oc2cc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2NC1=O ZINC001151212682 1073118718 /nfs/dbraw/zinc/11/87/18/1073118718.db2.gz WTGVAYJGKWHKSQ-UVBJJODRSA-N 1 2 440.460 -0.054 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001151353705 1073119254 /nfs/dbraw/zinc/11/92/54/1073119254.db2.gz ONLDQNMDMUKVRB-GJZGRUSLSA-N 1 2 426.433 -0.442 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001151353705 1073119243 /nfs/dbraw/zinc/11/92/43/1073119243.db2.gz ONLDQNMDMUKVRB-GJZGRUSLSA-N 1 2 426.433 -0.442 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)CC2)o1 ZINC001151357834 1073119100 /nfs/dbraw/zinc/11/91/00/1073119100.db2.gz DBEPHEYXMDRBSI-HNNXBMFYSA-N 1 2 443.522 -0.008 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+](C)[C@H](CO)C3)CC2)o1 ZINC001151357834 1073119092 /nfs/dbraw/zinc/11/90/92/1073119092.db2.gz DBEPHEYXMDRBSI-HNNXBMFYSA-N 1 2 443.522 -0.008 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)CC2)o1 ZINC001151357835 1073119275 /nfs/dbraw/zinc/11/92/75/1073119275.db2.gz DBEPHEYXMDRBSI-OAHLLOKOSA-N 1 2 443.522 -0.008 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)CC2)o1 ZINC001151357835 1073119272 /nfs/dbraw/zinc/11/92/72/1073119272.db2.gz DBEPHEYXMDRBSI-OAHLLOKOSA-N 1 2 443.522 -0.008 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001151667990 1073120314 /nfs/dbraw/zinc/12/03/14/1073120314.db2.gz NVKKCIIKNQAEDP-UHFFFAOYSA-N 1 2 426.539 -0.130 20 0 IBADLO CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001151878539 1073122107 /nfs/dbraw/zinc/12/21/07/1073122107.db2.gz DLTGQARVMWGEGC-KRWDZBQOSA-N 1 2 438.550 -0.566 20 0 IBADLO CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001151878540 1073122167 /nfs/dbraw/zinc/12/21/67/1073122167.db2.gz DLTGQARVMWGEGC-QGZVFWFLSA-N 1 2 438.550 -0.566 20 0 IBADLO COc1c(F)cc(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1S(N)(=O)=O ZINC001151958268 1073122460 /nfs/dbraw/zinc/12/24/60/1073122460.db2.gz BPZSRPJORGSGHH-AWEZNQCLSA-N 1 2 429.470 -0.080 20 0 IBADLO COc1c(F)cc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1S(N)(=O)=O ZINC001151958269 1073122363 /nfs/dbraw/zinc/12/23/63/1073122363.db2.gz BPZSRPJORGSGHH-CQSZACIVSA-N 1 2 429.470 -0.080 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1nnc3cnccn31)C2 ZINC001152023533 1073123247 /nfs/dbraw/zinc/12/32/47/1073123247.db2.gz ZADKJBUTZHXBJS-HNNXBMFYSA-N 1 2 426.481 -0.054 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1nnc3cnccn31)C2 ZINC001152023534 1073123259 /nfs/dbraw/zinc/12/32/59/1073123259.db2.gz ZADKJBUTZHXBJS-OAHLLOKOSA-N 1 2 426.481 -0.054 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)CC1 ZINC001152060032 1073123270 /nfs/dbraw/zinc/12/32/70/1073123270.db2.gz BUFQWYSFFCUNQC-INIZCTEOSA-N 1 2 449.577 -0.075 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)CC1 ZINC001152060033 1073123238 /nfs/dbraw/zinc/12/32/38/1073123238.db2.gz BUFQWYSFFCUNQC-MRXNPFEDSA-N 1 2 449.577 -0.075 20 0 IBADLO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001152212505 1074366152 /nfs/dbraw/zinc/36/61/52/1074366152.db2.gz AVCTXZTZPMPFJM-GOSISDBHSA-N 1 2 443.504 -0.465 20 0 IBADLO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001152212506 1074366742 /nfs/dbraw/zinc/36/67/42/1074366742.db2.gz AVCTXZTZPMPFJM-SFHVURJKSA-N 1 2 443.504 -0.465 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)c2)CC1 ZINC001152486312 1073126561 /nfs/dbraw/zinc/12/65/61/1073126561.db2.gz ODQBGRUZCZGGAX-KRWDZBQOSA-N 1 2 435.506 -0.404 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)c2)CC1 ZINC001152486312 1073126560 /nfs/dbraw/zinc/12/65/60/1073126560.db2.gz ODQBGRUZCZGGAX-KRWDZBQOSA-N 1 2 435.506 -0.404 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnc3n(c1=O)CCS3)CC2 ZINC001152496843 1073126470 /nfs/dbraw/zinc/12/64/70/1073126470.db2.gz RNSIUFWPDIVBDV-UHFFFAOYSA-N 1 2 443.533 -0.331 20 0 IBADLO Cn1nnc2c(C(=O)N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncn2c1=O ZINC001152744636 1073127723 /nfs/dbraw/zinc/12/77/23/1073127723.db2.gz DIKPUMMDSZTOEF-UHFFFAOYSA-N 1 2 436.476 -0.570 20 0 IBADLO Cn1nnc2c(C(=O)N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncn2c1=O ZINC001152744636 1073127717 /nfs/dbraw/zinc/12/77/17/1073127717.db2.gz DIKPUMMDSZTOEF-UHFFFAOYSA-N 1 2 436.476 -0.570 20 0 IBADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4ncn5c4nnn(C)c5=O)CC[C@@H]3C2)cs1 ZINC001152751776 1073129577 /nfs/dbraw/zinc/12/95/77/1073129577.db2.gz VDJCOKYFMRFOAJ-UKRRQHHQSA-N 1 2 444.521 -0.049 20 0 IBADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4ncn5c4nnn(C)c5=O)CC[C@@H]3C2)cs1 ZINC001152751776 1073129575 /nfs/dbraw/zinc/12/95/75/1073129575.db2.gz VDJCOKYFMRFOAJ-UKRRQHHQSA-N 1 2 444.521 -0.049 20 0 IBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001152775088 1073131502 /nfs/dbraw/zinc/13/15/02/1073131502.db2.gz NHWNEKUNCYRHFR-HNNXBMFYSA-N 1 2 446.533 -0.371 20 0 IBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001152775092 1073131549 /nfs/dbraw/zinc/13/15/49/1073131549.db2.gz NHWNEKUNCYRHFR-OAHLLOKOSA-N 1 2 446.533 -0.371 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc2ccc(Cl)nn21 ZINC001153220793 1073135516 /nfs/dbraw/zinc/13/55/16/1073135516.db2.gz YTQOHMRHDIPPMS-RYUDHWBXSA-N 1 2 430.856 -0.077 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc2ccc(Cl)nn21 ZINC001153220793 1073135514 /nfs/dbraw/zinc/13/55/14/1073135514.db2.gz YTQOHMRHDIPPMS-RYUDHWBXSA-N 1 2 430.856 -0.077 20 0 IBADLO COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001153299171 1073135586 /nfs/dbraw/zinc/13/55/86/1073135586.db2.gz ITWMWFZSEBUKEW-INIZCTEOSA-N 1 2 441.525 -0.100 20 0 IBADLO COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001153299172 1073135575 /nfs/dbraw/zinc/13/55/75/1073135575.db2.gz ITWMWFZSEBUKEW-MRXNPFEDSA-N 1 2 441.525 -0.100 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001153800701 1073137901 /nfs/dbraw/zinc/13/79/01/1073137901.db2.gz DRWUXCPOLDTCID-GJZGRUSLSA-N 1 2 439.432 -0.419 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001153800701 1073137898 /nfs/dbraw/zinc/13/78/98/1073137898.db2.gz DRWUXCPOLDTCID-GJZGRUSLSA-N 1 2 439.432 -0.419 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC001153812334 1073138088 /nfs/dbraw/zinc/13/80/88/1073138088.db2.gz VKFLJEBHEUETMV-ZDUSSCGKSA-N 1 2 444.311 -0.076 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC001153812334 1073138081 /nfs/dbraw/zinc/13/80/81/1073138081.db2.gz VKFLJEBHEUETMV-ZDUSSCGKSA-N 1 2 444.311 -0.076 20 0 IBADLO CC1(C)COc2c(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cnn2C1 ZINC001154371273 1073143272 /nfs/dbraw/zinc/14/32/72/1073143272.db2.gz KNLWFBTVGBVEBP-GJZGRUSLSA-N 1 2 429.481 -0.158 20 0 IBADLO CC1(C)COc2c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cnn2C1 ZINC001154371273 1073143265 /nfs/dbraw/zinc/14/32/65/1073143265.db2.gz KNLWFBTVGBVEBP-GJZGRUSLSA-N 1 2 429.481 -0.158 20 0 IBADLO Cn1cc[nH+]c1CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001154599070 1073143913 /nfs/dbraw/zinc/14/39/13/1073143913.db2.gz SCUSZSSCFAAGDK-HNNXBMFYSA-N 1 2 428.536 -0.139 20 0 IBADLO Cn1cc[nH+]c1CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001154599071 1073143820 /nfs/dbraw/zinc/14/38/20/1073143820.db2.gz SCUSZSSCFAAGDK-OAHLLOKOSA-N 1 2 428.536 -0.139 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cn(C)n3cccc3c1=O)CC2 ZINC001154642170 1073144567 /nfs/dbraw/zinc/14/45/67/1073144567.db2.gz MELFWNZTKVSSKI-UHFFFAOYSA-N 1 2 437.504 -0.042 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001154642429 1073144417 /nfs/dbraw/zinc/14/44/17/1073144417.db2.gz SYYHZLXTSLHBMI-KBPBESRZSA-N 1 2 443.489 -0.334 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001154642429 1073144409 /nfs/dbraw/zinc/14/44/09/1073144409.db2.gz SYYHZLXTSLHBMI-KBPBESRZSA-N 1 2 443.489 -0.334 20 0 IBADLO Cn1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2cccn21 ZINC001154654583 1073144538 /nfs/dbraw/zinc/14/45/38/1073144538.db2.gz DVHKGLRBELLIMS-HOCLYGCPSA-N 1 2 425.449 -0.822 20 0 IBADLO Cn1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2cccn21 ZINC001154654583 1073144533 /nfs/dbraw/zinc/14/45/33/1073144533.db2.gz DVHKGLRBELLIMS-HOCLYGCPSA-N 1 2 425.449 -0.822 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn2ccc(Cl)nc12 ZINC001154783561 1073145725 /nfs/dbraw/zinc/14/57/25/1073145725.db2.gz CVQVROWKPPLIIA-STQMWFEESA-N 1 2 430.856 -0.077 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn2ccc(Cl)nc12 ZINC001154783561 1073145722 /nfs/dbraw/zinc/14/57/22/1073145722.db2.gz CVQVROWKPPLIIA-STQMWFEESA-N 1 2 430.856 -0.077 20 0 IBADLO CCS(=O)(=O)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001154794413 1073145687 /nfs/dbraw/zinc/14/56/87/1073145687.db2.gz NWAVKTYQDRRHIN-UHFFFAOYSA-N 1 2 427.531 -0.984 20 0 IBADLO CCS(=O)(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001154794413 1073145681 /nfs/dbraw/zinc/14/56/81/1073145681.db2.gz NWAVKTYQDRRHIN-UHFFFAOYSA-N 1 2 427.531 -0.984 20 0 IBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC001154924914 1073146712 /nfs/dbraw/zinc/14/67/12/1073146712.db2.gz FYANIPSAOWTCEF-HNNXBMFYSA-N 1 2 426.539 -0.016 20 0 IBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC001154924914 1073146710 /nfs/dbraw/zinc/14/67/10/1073146710.db2.gz FYANIPSAOWTCEF-HNNXBMFYSA-N 1 2 426.539 -0.016 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001154930951 1073146674 /nfs/dbraw/zinc/14/66/74/1073146674.db2.gz HOUGYIVRBFHHQC-INIZCTEOSA-N 1 2 446.957 -0.398 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001154930951 1073146670 /nfs/dbraw/zinc/14/66/70/1073146670.db2.gz HOUGYIVRBFHHQC-INIZCTEOSA-N 1 2 446.957 -0.398 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001154930954 1073146636 /nfs/dbraw/zinc/14/66/36/1073146636.db2.gz HOUGYIVRBFHHQC-MRXNPFEDSA-N 1 2 446.957 -0.398 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001154930954 1073146635 /nfs/dbraw/zinc/14/66/35/1073146635.db2.gz HOUGYIVRBFHHQC-MRXNPFEDSA-N 1 2 446.957 -0.398 20 0 IBADLO Cn1c(=O)[nH]c2cccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)c21 ZINC001155652460 1073150041 /nfs/dbraw/zinc/15/00/41/1073150041.db2.gz UNIVYEUMYKUAOM-GJZGRUSLSA-N 1 2 425.449 -0.181 20 0 IBADLO Cn1c(=O)[nH]c2cccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)c21 ZINC001155652460 1073150036 /nfs/dbraw/zinc/15/00/36/1073150036.db2.gz UNIVYEUMYKUAOM-GJZGRUSLSA-N 1 2 425.449 -0.181 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)OCC2 ZINC001155717081 1073150842 /nfs/dbraw/zinc/15/08/42/1073150842.db2.gz FPQNGPLDFYPRMB-CABCVRRESA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)OCC2 ZINC001155717081 1073150841 /nfs/dbraw/zinc/15/08/41/1073150841.db2.gz FPQNGPLDFYPRMB-CABCVRRESA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)OCC2 ZINC001155717082 1073151415 /nfs/dbraw/zinc/15/14/15/1073151415.db2.gz FPQNGPLDFYPRMB-GJZGRUSLSA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)OCC2 ZINC001155717082 1073151408 /nfs/dbraw/zinc/15/14/08/1073151408.db2.gz FPQNGPLDFYPRMB-GJZGRUSLSA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)OCC2 ZINC001155717083 1073151312 /nfs/dbraw/zinc/15/13/12/1073151312.db2.gz FPQNGPLDFYPRMB-HUUCEWRRSA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)OCC2 ZINC001155717083 1073151307 /nfs/dbraw/zinc/15/13/07/1073151307.db2.gz FPQNGPLDFYPRMB-HUUCEWRRSA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)OCC2 ZINC001155717084 1073151450 /nfs/dbraw/zinc/15/14/50/1073151450.db2.gz FPQNGPLDFYPRMB-LSDHHAIUSA-N 1 2 428.497 -0.059 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)OCC2 ZINC001155717084 1073151444 /nfs/dbraw/zinc/15/14/44/1073151444.db2.gz FPQNGPLDFYPRMB-LSDHHAIUSA-N 1 2 428.497 -0.059 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001155729345 1073151237 /nfs/dbraw/zinc/15/12/37/1073151237.db2.gz LATTWBMTSNKRNN-UHFFFAOYSA-N 1 2 439.476 -0.268 20 0 IBADLO COc1cccn2c(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)nnc12 ZINC001156016805 1073152893 /nfs/dbraw/zinc/15/28/93/1073152893.db2.gz CPKHPYUKRXVEFM-STQMWFEESA-N 1 2 426.437 -0.722 20 0 IBADLO COc1cccn2c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)nnc12 ZINC001156016805 1073152890 /nfs/dbraw/zinc/15/28/90/1073152890.db2.gz CPKHPYUKRXVEFM-STQMWFEESA-N 1 2 426.437 -0.722 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnc2cccc(Cl)n21 ZINC001156027810 1073152808 /nfs/dbraw/zinc/15/28/08/1073152808.db2.gz KJQOBDRXSRWMEP-RYUDHWBXSA-N 1 2 430.856 -0.077 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnc2cccc(Cl)n21 ZINC001156027810 1073152804 /nfs/dbraw/zinc/15/28/04/1073152804.db2.gz KJQOBDRXSRWMEP-RYUDHWBXSA-N 1 2 430.856 -0.077 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2n(n1)CC1(CCC1)CO2 ZINC001156178343 1073153182 /nfs/dbraw/zinc/15/31/82/1073153182.db2.gz TYLWOVXOQBBAHR-HOTGVXAUSA-N 1 2 441.492 -0.014 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2n(n1)CC1(CCC1)CO2 ZINC001156178343 1073153177 /nfs/dbraw/zinc/15/31/77/1073153177.db2.gz TYLWOVXOQBBAHR-HOTGVXAUSA-N 1 2 441.492 -0.014 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 ZINC001156189060 1073153268 /nfs/dbraw/zinc/15/32/68/1073153268.db2.gz DLZNKRLIQMPXRV-UHFFFAOYSA-N 1 2 438.506 -0.629 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 ZINC001156189060 1073153260 /nfs/dbraw/zinc/15/32/60/1073153260.db2.gz DLZNKRLIQMPXRV-UHFFFAOYSA-N 1 2 438.506 -0.629 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC001156189248 1073153807 /nfs/dbraw/zinc/15/38/07/1073153807.db2.gz NXBFDDBKSLCSFC-UHFFFAOYSA-N 1 2 440.570 -0.590 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC001156189248 1073153804 /nfs/dbraw/zinc/15/38/04/1073153804.db2.gz NXBFDDBKSLCSFC-UHFFFAOYSA-N 1 2 440.570 -0.590 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001156189324 1073153839 /nfs/dbraw/zinc/15/38/39/1073153839.db2.gz RNNYBIXMOMFIPE-UHFFFAOYSA-N 1 2 442.538 -0.348 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001156189324 1073153836 /nfs/dbraw/zinc/15/38/36/1073153836.db2.gz RNNYBIXMOMFIPE-UHFFFAOYSA-N 1 2 442.538 -0.348 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001156189460 1073153819 /nfs/dbraw/zinc/15/38/19/1073153819.db2.gz YXUQQLBXACZDAK-UHFFFAOYSA-N 1 2 439.538 -0.406 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001156189460 1073153815 /nfs/dbraw/zinc/15/38/15/1073153815.db2.gz YXUQQLBXACZDAK-UHFFFAOYSA-N 1 2 439.538 -0.406 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001156193779 1073153734 /nfs/dbraw/zinc/15/37/34/1073153734.db2.gz DIADRABCYUPBKH-HNNXBMFYSA-N 1 2 425.530 -0.266 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001156193779 1073153728 /nfs/dbraw/zinc/15/37/28/1073153728.db2.gz DIADRABCYUPBKH-HNNXBMFYSA-N 1 2 425.530 -0.266 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001156193780 1073153755 /nfs/dbraw/zinc/15/37/55/1073153755.db2.gz DIADRABCYUPBKH-OAHLLOKOSA-N 1 2 425.530 -0.266 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001156193780 1073153753 /nfs/dbraw/zinc/15/37/53/1073153753.db2.gz DIADRABCYUPBKH-OAHLLOKOSA-N 1 2 425.530 -0.266 20 0 IBADLO COC(=O)c1cnc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001156249334 1073153777 /nfs/dbraw/zinc/15/37/77/1073153777.db2.gz GEGMKGDRKYKGBT-STQMWFEESA-N 1 2 428.467 -0.796 20 0 IBADLO CCS(=O)(=O)N1CCC(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001156250490 1073153710 /nfs/dbraw/zinc/15/37/10/1073153710.db2.gz AUCATVKOSLELHQ-UHFFFAOYSA-N 1 2 441.558 -0.807 20 0 IBADLO CCS(=O)(=O)N1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001156250490 1073153703 /nfs/dbraw/zinc/15/37/03/1073153703.db2.gz AUCATVKOSLELHQ-UHFFFAOYSA-N 1 2 441.558 -0.807 20 0 IBADLO O=C(CNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)N1CCc2ccccc21 ZINC001156352710 1073154174 /nfs/dbraw/zinc/15/41/74/1073154174.db2.gz WUZNLYRBHIGLHE-UHFFFAOYSA-N 1 2 425.493 -0.032 20 0 IBADLO O=C(CNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)N1CCc2ccccc21 ZINC001156352710 1073154164 /nfs/dbraw/zinc/15/41/64/1073154164.db2.gz WUZNLYRBHIGLHE-UHFFFAOYSA-N 1 2 425.493 -0.032 20 0 IBADLO COc1cccc2nc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cn21 ZINC001156605736 1073155638 /nfs/dbraw/zinc/15/56/38/1073155638.db2.gz SFGKTZWNEQPUBY-ZFWWWQNUSA-N 1 2 425.449 -0.117 20 0 IBADLO COc1cccc2nc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cn21 ZINC001156605736 1073155634 /nfs/dbraw/zinc/15/56/34/1073155634.db2.gz SFGKTZWNEQPUBY-ZFWWWQNUSA-N 1 2 425.449 -0.117 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]c2c(c1=O)CCCC2 ZINC001156911509 1073157516 /nfs/dbraw/zinc/15/75/16/1073157516.db2.gz SVVDJKOTFATYHJ-IRXDYDNUSA-N 1 2 426.477 -0.206 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]c2c(c1=O)CCCC2 ZINC001156911509 1073157512 /nfs/dbraw/zinc/15/75/12/1073157512.db2.gz SVVDJKOTFATYHJ-IRXDYDNUSA-N 1 2 426.477 -0.206 20 0 IBADLO Nc1[nH]c2cc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)ccc2[nH+]1 ZINC001156971255 1073157447 /nfs/dbraw/zinc/15/74/47/1073157447.db2.gz GFXHZEQOZNATLS-CKEIUWERSA-N 1 2 447.517 -0.121 20 0 IBADLO Nc1[nH]c2cc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)ccc2[nH+]1 ZINC001156971256 1073157489 /nfs/dbraw/zinc/15/74/89/1073157489.db2.gz GFXHZEQOZNATLS-JJRVBVJISA-N 1 2 447.517 -0.121 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001157037268 1073157849 /nfs/dbraw/zinc/15/78/49/1073157849.db2.gz QFKDAWXZLQJZHH-CQSZACIVSA-N 1 2 427.508 -0.011 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001157037268 1073157844 /nfs/dbraw/zinc/15/78/44/1073157844.db2.gz QFKDAWXZLQJZHH-CQSZACIVSA-N 1 2 427.508 -0.011 20 0 IBADLO COc1ccc2nc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cn2c1 ZINC001157088763 1073157916 /nfs/dbraw/zinc/15/79/16/1073157916.db2.gz LXNQIIAOUSVYOQ-HOCLYGCPSA-N 1 2 425.449 -0.117 20 0 IBADLO COc1ccc2nc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cn2c1 ZINC001157088763 1073157913 /nfs/dbraw/zinc/15/79/13/1073157913.db2.gz LXNQIIAOUSVYOQ-HOCLYGCPSA-N 1 2 425.449 -0.117 20 0 IBADLO COc1ccc2c(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cnn2c1 ZINC001157234806 1073159287 /nfs/dbraw/zinc/15/92/87/1073159287.db2.gz NNDYIVSDRDFQKC-RDJZCZTQSA-N 1 2 425.449 -0.117 20 0 IBADLO COc1ccc2c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cnn2c1 ZINC001157234806 1073159282 /nfs/dbraw/zinc/15/92/82/1073159282.db2.gz NNDYIVSDRDFQKC-RDJZCZTQSA-N 1 2 425.449 -0.117 20 0 IBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001157275215 1073159395 /nfs/dbraw/zinc/15/93/95/1073159395.db2.gz HNOMMEPURTYBKZ-HNNXBMFYSA-N 1 2 433.575 -0.122 20 0 IBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001157275216 1073159308 /nfs/dbraw/zinc/15/93/08/1073159308.db2.gz HNOMMEPURTYBKZ-OAHLLOKOSA-N 1 2 433.575 -0.122 20 0 IBADLO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001157304375 1073159855 /nfs/dbraw/zinc/15/98/55/1073159855.db2.gz YCHJGJFBDLLOOC-MSOLQXFVSA-N 1 2 426.473 -0.224 20 0 IBADLO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnc2n1CC[NH2+]C2)C(N)=O ZINC001157325135 1073161104 /nfs/dbraw/zinc/16/11/04/1073161104.db2.gz PWKMAPXWVLFXKZ-QAPCUYQASA-N 1 2 428.493 -0.341 20 0 IBADLO O=C1C=CC(=O)N1CCCCCCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001157327506 1073161209 /nfs/dbraw/zinc/16/12/09/1073161209.db2.gz PZXPOYKUMJLZLJ-UHFFFAOYSA-N 1 2 445.524 -0.136 20 0 IBADLO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)c3cnc4n3CC[NH2+]C4)ccc12 ZINC001157364820 1073162191 /nfs/dbraw/zinc/16/21/91/1073162191.db2.gz KIQVYOJLMZALKA-UHFFFAOYSA-N 1 2 438.444 -0.114 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)CC3)CC1 ZINC001157374272 1073162964 /nfs/dbraw/zinc/16/29/64/1073162964.db2.gz APMMXXRYOOGNTD-CVEARBPZSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)CC3)CC1 ZINC001157374281 1073162947 /nfs/dbraw/zinc/16/29/47/1073162947.db2.gz APMMXXRYOOGNTD-HOTGVXAUSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@H]2CCCS2(=O)=O)CC3)CC1 ZINC001157374282 1073162914 /nfs/dbraw/zinc/16/29/14/1073162914.db2.gz APMMXXRYOOGNTD-HZPDHXFCSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@H]2CCCS2(=O)=O)CC3)CC1 ZINC001157374285 1073162938 /nfs/dbraw/zinc/16/29/38/1073162938.db2.gz APMMXXRYOOGNTD-JKSUJKDBSA-N 1 2 437.566 -0.083 20 0 IBADLO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001157374626 1073163037 /nfs/dbraw/zinc/16/30/37/1073163037.db2.gz CTBWMCYLEZDGES-HNNXBMFYSA-N 1 2 441.536 -0.073 20 0 IBADLO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001157374627 1073162980 /nfs/dbraw/zinc/16/29/80/1073162980.db2.gz CTBWMCYLEZDGES-OAHLLOKOSA-N 1 2 441.536 -0.073 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCS(N)(=O)=O)CC3)CC1 ZINC001157375756 1073163366 /nfs/dbraw/zinc/16/33/66/1073163366.db2.gz VZYROULFGYNVJE-AWEZNQCLSA-N 1 2 426.543 -0.982 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCS(N)(=O)=O)CC3)CC1 ZINC001157375760 1073163351 /nfs/dbraw/zinc/16/33/51/1073163351.db2.gz VZYROULFGYNVJE-CQSZACIVSA-N 1 2 426.543 -0.982 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2nccnc2C(N)=O)CC3)CC1 ZINC001157382196 1073163391 /nfs/dbraw/zinc/16/33/91/1073163391.db2.gz MRVGYZFOXBIJPS-CYBMUJFWSA-N 1 2 426.481 -0.848 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2nccnc2C(N)=O)CC3)CC1 ZINC001157382197 1073163275 /nfs/dbraw/zinc/16/32/75/1073163275.db2.gz MRVGYZFOXBIJPS-ZDUSSCGKSA-N 1 2 426.481 -0.848 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)CC3)CC1 ZINC001157382892 1073163335 /nfs/dbraw/zinc/16/33/35/1073163335.db2.gz VJQJBTBYDJJNGH-HNNXBMFYSA-N 1 2 437.566 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2CCS(=O)(=O)CC2)CC3)CC1 ZINC001157382893 1073163308 /nfs/dbraw/zinc/16/33/08/1073163308.db2.gz VJQJBTBYDJJNGH-OAHLLOKOSA-N 1 2 437.566 -0.226 20 0 IBADLO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)N1 ZINC001157518057 1073164683 /nfs/dbraw/zinc/16/46/83/1073164683.db2.gz SZTBAZBZFMIUKA-RAKKMVLPSA-N 1 2 444.496 -0.746 20 0 IBADLO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)N1 ZINC001157518057 1073164679 /nfs/dbraw/zinc/16/46/79/1073164679.db2.gz SZTBAZBZFMIUKA-RAKKMVLPSA-N 1 2 444.496 -0.746 20 0 IBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 ZINC001157911339 1073168003 /nfs/dbraw/zinc/16/80/03/1073168003.db2.gz VGJCYMLAHQFKSL-UHFFFAOYSA-N 1 2 446.599 -0.251 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001157998380 1073169439 /nfs/dbraw/zinc/16/94/39/1073169439.db2.gz FCBLCSQBBCVUNK-QXIMGHOESA-N 1 2 425.507 -0.347 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001157998381 1073169286 /nfs/dbraw/zinc/16/92/86/1073169286.db2.gz FCBLCSQBBCVUNK-YVHNNKAESA-N 1 2 425.507 -0.347 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001158000172 1073169314 /nfs/dbraw/zinc/16/93/14/1073169314.db2.gz WKSANIAUCQSERZ-CVEARBPZSA-N 1 2 448.524 -0.382 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001158000173 1073169322 /nfs/dbraw/zinc/16/93/22/1073169322.db2.gz WKSANIAUCQSERZ-HOTGVXAUSA-N 1 2 448.524 -0.382 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001158000174 1073169398 /nfs/dbraw/zinc/16/93/98/1073169398.db2.gz WKSANIAUCQSERZ-HZPDHXFCSA-N 1 2 448.524 -0.382 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001158000175 1073169360 /nfs/dbraw/zinc/16/93/60/1073169360.db2.gz WKSANIAUCQSERZ-JKSUJKDBSA-N 1 2 448.524 -0.382 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001158005712 1073169432 /nfs/dbraw/zinc/16/94/32/1073169432.db2.gz BWBUUSAPHSXSCN-HNNXBMFYSA-N 1 2 437.474 -0.096 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001158005713 1073169824 /nfs/dbraw/zinc/16/98/24/1073169824.db2.gz BWBUUSAPHSXSCN-OAHLLOKOSA-N 1 2 437.474 -0.096 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1 ZINC001158007457 1073169819 /nfs/dbraw/zinc/16/98/19/1073169819.db2.gz SIHSLSUSCUGJRY-GOSISDBHSA-N 1 2 438.550 -0.181 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1 ZINC001158007458 1073169864 /nfs/dbraw/zinc/16/98/64/1073169864.db2.gz SIHSLSUSCUGJRY-SFHVURJKSA-N 1 2 438.550 -0.181 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001158008141 1073169835 /nfs/dbraw/zinc/16/98/35/1073169835.db2.gz ZOHOOXQXRURYPQ-HNNXBMFYSA-N 1 2 427.479 -0.154 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001158008142 1073169844 /nfs/dbraw/zinc/16/98/44/1073169844.db2.gz ZOHOOXQXRURYPQ-OAHLLOKOSA-N 1 2 427.479 -0.154 20 0 IBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 ZINC001158013630 1073169831 /nfs/dbraw/zinc/16/98/31/1073169831.db2.gz GSWPCBSUCBAQNI-AWEZNQCLSA-N 1 2 433.490 -0.017 20 0 IBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 ZINC001158013631 1073169854 /nfs/dbraw/zinc/16/98/54/1073169854.db2.gz GSWPCBSUCBAQNI-CQSZACIVSA-N 1 2 433.490 -0.017 20 0 IBADLO O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121404 1073171980 /nfs/dbraw/zinc/17/19/80/1073171980.db2.gz ZRUYXSCDLRQXQU-IBGZPJMESA-N 1 2 430.852 -0.462 20 0 IBADLO O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121406 1073172055 /nfs/dbraw/zinc/17/20/55/1073172055.db2.gz ZRUYXSCDLRQXQU-LJQANCHMSA-N 1 2 430.852 -0.462 20 0 IBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)CCS2(=O)=O ZINC001158181176 1073172860 /nfs/dbraw/zinc/17/28/60/1073172860.db2.gz BAOWGSFPNGSKDO-LFDOHDQPSA-N 1 2 438.550 -0.239 20 0 IBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)CCS2(=O)=O ZINC001158181179 1073172828 /nfs/dbraw/zinc/17/28/28/1073172828.db2.gz BAOWGSFPNGSKDO-NGEICVOHSA-N 1 2 438.550 -0.239 20 0 IBADLO COC(=O)c1cnc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158256132 1073173795 /nfs/dbraw/zinc/17/37/95/1073173795.db2.gz GEGMKGDRKYKGBT-OLZOCXBDSA-N 1 2 428.467 -0.796 20 0 IBADLO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)CN4CC[NH2+]CC4=O)CC3)[C@@H]2C)n1 ZINC001158346624 1073174110 /nfs/dbraw/zinc/17/41/10/1073174110.db2.gz AWALQZLYQCCKNI-KRWDZBQOSA-N 1 2 429.521 -0.070 20 0 IBADLO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)CN4CC[NH2+]CC4=O)CC3)[C@H]2C)n1 ZINC001158346625 1073174122 /nfs/dbraw/zinc/17/41/22/1073174122.db2.gz AWALQZLYQCCKNI-QGZVFWFLSA-N 1 2 429.521 -0.070 20 0 IBADLO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)CC3)[C@@H]2C)n1 ZINC001158347173 1073174188 /nfs/dbraw/zinc/17/41/88/1073174188.db2.gz HDOJINJVPGWENJ-HOCLYGCPSA-N 1 2 428.497 -0.418 20 0 IBADLO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)CC3)[C@H]2C)n1 ZINC001158347174 1073174069 /nfs/dbraw/zinc/17/40/69/1073174069.db2.gz HDOJINJVPGWENJ-ZBFHGGJFSA-N 1 2 428.497 -0.418 20 0 IBADLO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)C1(F)C[NH2+]C1)CCC2 ZINC001158351686 1073174622 /nfs/dbraw/zinc/17/46/22/1073174622.db2.gz BUFOCLKJLUEGTP-JXFKEZNVSA-N 1 2 432.500 -0.308 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2NC[C@H]2CNC(=O)CO2)C[NH2+]1 ZINC001158389524 1073176480 /nfs/dbraw/zinc/17/64/80/1073176480.db2.gz OMFJFKUXHSBHAR-IOASZLSFSA-N 1 2 431.449 -0.152 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2NC[C@@H]2CNC(=O)CO2)C[NH2+]1 ZINC001158389525 1073176529 /nfs/dbraw/zinc/17/65/29/1073176529.db2.gz OMFJFKUXHSBHAR-WWGRRREGSA-N 1 2 431.449 -0.152 20 0 IBADLO CN1CC[NH+](Cc2cc3nc(N[C@@H](CO)C(N)=O)nc(N4CCOCC4)c3s2)CC1 ZINC001158444233 1073176933 /nfs/dbraw/zinc/17/69/33/1073176933.db2.gz RRDRADDIUQMGCM-HNNXBMFYSA-N 1 2 435.554 -0.467 20 0 IBADLO CN1CC[NH+](Cc2cc3nc(N[C@H](CO)C(N)=O)nc(N4CCOCC4)c3s2)CC1 ZINC001158444246 1073176977 /nfs/dbraw/zinc/17/69/77/1073176977.db2.gz RRDRADDIUQMGCM-OAHLLOKOSA-N 1 2 435.554 -0.467 20 0 IBADLO COC(=O)C1CCN(c2cc[nH+]c(NCCN3CCN(S(C)(=O)=O)CC3)n2)CC1 ZINC001158451892 1073177351 /nfs/dbraw/zinc/17/73/51/1073177351.db2.gz JGWSPRHEQVYOHI-UHFFFAOYSA-N 1 2 426.543 -0.145 20 0 IBADLO CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001158523373 1073177946 /nfs/dbraw/zinc/17/79/46/1073177946.db2.gz NLJXLIWEMVPILS-CVEARBPZSA-N 1 2 428.530 -0.489 20 0 IBADLO CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001158523374 1073177763 /nfs/dbraw/zinc/17/77/63/1073177763.db2.gz NLJXLIWEMVPILS-HOTGVXAUSA-N 1 2 428.530 -0.489 20 0 IBADLO CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001158523375 1073177896 /nfs/dbraw/zinc/17/78/96/1073177896.db2.gz NLJXLIWEMVPILS-HZPDHXFCSA-N 1 2 428.530 -0.489 20 0 IBADLO CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001158523376 1073177925 /nfs/dbraw/zinc/17/79/25/1073177925.db2.gz NLJXLIWEMVPILS-JKSUJKDBSA-N 1 2 428.530 -0.489 20 0 IBADLO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2c2ccccc2)C1=O ZINC001158615016 1073178848 /nfs/dbraw/zinc/17/88/48/1073178848.db2.gz PEKPXFWOQITXSF-CKJXQJPGSA-N 1 2 440.508 -0.998 20 0 IBADLO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]2c2ccccc2)C1=O ZINC001158626015 1073178946 /nfs/dbraw/zinc/17/89/46/1073178946.db2.gz BGAXORCGYRXKEL-FDDCHVKYSA-N 1 2 441.532 -0.649 20 0 IBADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001158626406 1073178929 /nfs/dbraw/zinc/17/89/29/1073178929.db2.gz NQFVSDVXBFXYSH-PNLZDCPESA-N 1 2 430.505 -0.190 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]1 ZINC001158629322 1073179907 /nfs/dbraw/zinc/17/99/07/1073179907.db2.gz FVWZZKLLAAQZTH-CVEARBPZSA-N 1 2 448.524 -0.309 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]1 ZINC001158629324 1073179917 /nfs/dbraw/zinc/17/99/17/1073179917.db2.gz FVWZZKLLAAQZTH-HOTGVXAUSA-N 1 2 448.524 -0.309 20 0 IBADLO COC(=O)[C@H]1C[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]1 ZINC001158629327 1073180021 /nfs/dbraw/zinc/18/00/21/1073180021.db2.gz FVWZZKLLAAQZTH-HZPDHXFCSA-N 1 2 448.524 -0.309 20 0 IBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]1 ZINC001158629329 1073180043 /nfs/dbraw/zinc/18/00/43/1073180043.db2.gz FVWZZKLLAAQZTH-JKSUJKDBSA-N 1 2 448.524 -0.309 20 0 IBADLO O=C(COCc1nnn2c1CN(C(=O)c1cnc3n1CC[NH2+]C3)CCC2)N1CCCC1 ZINC001158630827 1073180430 /nfs/dbraw/zinc/18/04/30/1073180430.db2.gz WWGSKPUTKYFQKJ-UHFFFAOYSA-N 1 2 428.497 -0.237 20 0 IBADLO O=C(COCc1nnn2c1CN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CCC2)N1CCCC1 ZINC001158630866 1073180455 /nfs/dbraw/zinc/18/04/55/1073180455.db2.gz YHCOYGRZSOAGQO-UHFFFAOYSA-N 1 2 428.497 -0.168 20 0 IBADLO [NH3+][C@H](CC(=O)N1CCn2c(CN3CCOCC3)nnc2C1)C(=O)OCc1ccccc1 ZINC001158821243 1073188203 /nfs/dbraw/zinc/18/82/03/1073188203.db2.gz FJEMFOYEFZCGJB-QGZVFWFLSA-N 1 2 428.493 -0.087 20 0 IBADLO CCN1CC2(CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)COc2ccccc2S1(=O)=O ZINC001158831379 1073188343 /nfs/dbraw/zinc/18/83/43/1073188343.db2.gz IJIQQEPWZJRXLA-AWEZNQCLSA-N 1 2 449.537 -0.219 20 0 IBADLO NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)cc1 ZINC001159006610 1073195471 /nfs/dbraw/zinc/19/54/71/1073195471.db2.gz ZEXABSDATRTDJZ-HNNXBMFYSA-N 1 2 435.492 -0.004 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C1)C[NH2+]C2 ZINC001159071894 1073196370 /nfs/dbraw/zinc/19/63/70/1073196370.db2.gz JYEJXTDYJLFNCJ-BARDWOONSA-N 1 2 426.481 -0.366 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C1)C[NH2+]C2 ZINC001159071895 1073196496 /nfs/dbraw/zinc/19/64/96/1073196496.db2.gz JYEJXTDYJLFNCJ-TUVASFSCSA-N 1 2 426.481 -0.366 20 0 IBADLO COC(=O)[C@H]1C[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCN1 ZINC001159075577 1073197360 /nfs/dbraw/zinc/19/73/60/1073197360.db2.gz PLZHTHRXUJWEQK-GDBMZVCRSA-N 1 2 432.525 -0.766 20 0 IBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCN1 ZINC001159075581 1073197343 /nfs/dbraw/zinc/19/73/43/1073197343.db2.gz PLZHTHRXUJWEQK-GOEBONIOSA-N 1 2 432.525 -0.766 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCN1 ZINC001159075585 1073197405 /nfs/dbraw/zinc/19/74/05/1073197405.db2.gz PLZHTHRXUJWEQK-HOCLYGCPSA-N 1 2 432.525 -0.766 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCN1 ZINC001159075587 1073197398 /nfs/dbraw/zinc/19/73/98/1073197398.db2.gz PLZHTHRXUJWEQK-ZBFHGGJFSA-N 1 2 432.525 -0.766 20 0 IBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001159077102 1073197898 /nfs/dbraw/zinc/19/78/98/1073197898.db2.gz MSUPSDIOMGOFEL-BLVKFPJESA-N 1 2 433.469 -0.631 20 0 IBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001159077103 1073198333 /nfs/dbraw/zinc/19/83/33/1073198333.db2.gz MSUPSDIOMGOFEL-BUXKBTBVSA-N 1 2 433.469 -0.631 20 0 IBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001159077104 1073198265 /nfs/dbraw/zinc/19/82/65/1073198265.db2.gz MSUPSDIOMGOFEL-CWTRNNRKSA-N 1 2 433.469 -0.631 20 0 IBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001159077105 1073198410 /nfs/dbraw/zinc/19/84/10/1073198410.db2.gz MSUPSDIOMGOFEL-HXPMCKFVSA-N 1 2 433.469 -0.631 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]31)C[NH2+]C2 ZINC001159090208 1073198992 /nfs/dbraw/zinc/19/89/92/1073198992.db2.gz ARYZCCKGCXBDRD-UJAMICLKSA-N 1 2 432.525 -0.118 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]31)C[NH2+]C2 ZINC001159090209 1073198939 /nfs/dbraw/zinc/19/89/39/1073198939.db2.gz ARYZCCKGCXBDRD-XNWPKKHHSA-N 1 2 432.525 -0.118 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159204036 1073205933 /nfs/dbraw/zinc/20/59/33/1073205933.db2.gz VCXJHHWEAGUQMA-JENIJYKNSA-N 1 2 429.521 -0.574 20 0 IBADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159204131 1073206371 /nfs/dbraw/zinc/20/63/71/1073206371.db2.gz WJJJJCTWBPRQKT-NXNVCVFFSA-N 1 2 428.497 -0.923 20 0 IBADLO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001159330939 1073209900 /nfs/dbraw/zinc/20/99/00/1073209900.db2.gz XLPYYJDUINZVRE-AWEZNQCLSA-N 1 2 425.453 -0.721 20 0 IBADLO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359560 1073210462 /nfs/dbraw/zinc/21/04/62/1073210462.db2.gz YGYJMHPOITZJRM-UQASEVPWSA-N 1 2 437.541 -0.443 20 0 IBADLO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359561 1073210494 /nfs/dbraw/zinc/21/04/94/1073210494.db2.gz YGYJMHPOITZJRM-XERREHJYSA-N 1 2 437.541 -0.443 20 0 IBADLO C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC(F)(F)C[NH2+]1 ZINC001159456990 1073215570 /nfs/dbraw/zinc/21/55/70/1073215570.db2.gz CGTNPJSJRBJVPC-CFAJVAMVSA-N 1 2 435.493 -0.506 20 0 IBADLO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC(F)(F)C[NH2+]1 ZINC001159456991 1073215665 /nfs/dbraw/zinc/21/56/65/1073215665.db2.gz CGTNPJSJRBJVPC-VMUDFCTBSA-N 1 2 435.493 -0.506 20 0 IBADLO C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC(F)(F)C[NH2+]1 ZINC001159456992 1073215638 /nfs/dbraw/zinc/21/56/38/1073215638.db2.gz CGTNPJSJRBJVPC-WBOJAVRRSA-N 1 2 435.493 -0.506 20 0 IBADLO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC(F)(F)C[NH2+]1 ZINC001159456993 1073215622 /nfs/dbraw/zinc/21/56/22/1073215622.db2.gz CGTNPJSJRBJVPC-ZOMKSWQUSA-N 1 2 435.493 -0.506 20 0 IBADLO [NH3+]Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)s1 ZINC001159458541 1073216907 /nfs/dbraw/zinc/21/69/07/1073216907.db2.gz OLBAIHRLDWLUCR-OUCADQQQSA-N 1 2 428.536 -0.664 20 0 IBADLO [NH3+]Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)s1 ZINC001159458545 1073216850 /nfs/dbraw/zinc/21/68/50/1073216850.db2.gz OLBAIHRLDWLUCR-YRGRVCCFSA-N 1 2 428.536 -0.664 20 0 IBADLO [NH3+][C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1cccs1 ZINC001159458894 1073216870 /nfs/dbraw/zinc/21/68/70/1073216870.db2.gz RMXRREGTNKXCET-RRCSTGOVSA-N 1 2 427.548 -0.132 20 0 IBADLO [NH3+][C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1cccs1 ZINC001159458895 1073216944 /nfs/dbraw/zinc/21/69/44/1073216944.db2.gz RMXRREGTNKXCET-SJXGUFTOSA-N 1 2 427.548 -0.132 20 0 IBADLO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccsc1 ZINC001159459234 1073217811 /nfs/dbraw/zinc/21/78/11/1073217811.db2.gz WPHFUBUTSVINAH-FPCVCCKLSA-N 1 2 427.548 -0.132 20 0 IBADLO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccsc1 ZINC001159459236 1073217619 /nfs/dbraw/zinc/21/76/19/1073217619.db2.gz WPHFUBUTSVINAH-JJXSEGSLSA-N 1 2 427.548 -0.132 20 0 IBADLO [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159492432 1073219024 /nfs/dbraw/zinc/21/90/24/1073219024.db2.gz JGGYZTUTZNZPHI-LBPRGKRZSA-N 1 2 446.430 -0.100 20 0 IBADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529500 1073220998 /nfs/dbraw/zinc/22/09/98/1073220998.db2.gz LBSBHLSZPRKDKA-BQUOXIOCSA-N 1 2 449.552 -0.674 20 0 IBADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529503 1073220948 /nfs/dbraw/zinc/22/09/48/1073220948.db2.gz LBSBHLSZPRKDKA-HRAJDOBDSA-N 1 2 449.552 -0.674 20 0 IBADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529504 1073221054 /nfs/dbraw/zinc/22/10/54/1073221054.db2.gz LBSBHLSZPRKDKA-LHXSAFEUSA-N 1 2 449.552 -0.674 20 0 IBADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529505 1073221123 /nfs/dbraw/zinc/22/11/23/1073221123.db2.gz LBSBHLSZPRKDKA-WCWVYFQPSA-N 1 2 449.552 -0.674 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CCN1 ZINC001159530109 1073221630 /nfs/dbraw/zinc/22/16/30/1073221630.db2.gz QOJUJLZGHFUYPK-BZSNNMDCSA-N 1 2 449.552 -0.264 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CCN1 ZINC001159530110 1073221520 /nfs/dbraw/zinc/22/15/20/1073221520.db2.gz QOJUJLZGHFUYPK-KSZLIROESA-N 1 2 449.552 -0.264 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CCN1 ZINC001159530111 1073221363 /nfs/dbraw/zinc/22/13/63/1073221363.db2.gz QOJUJLZGHFUYPK-KURKYZTESA-N 1 2 449.552 -0.264 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CCN1 ZINC001159530112 1073221417 /nfs/dbraw/zinc/22/14/17/1073221417.db2.gz QOJUJLZGHFUYPK-SQNIBIBYSA-N 1 2 449.552 -0.264 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cccc(N)c1=O)C2 ZINC001159530922 1073222073 /nfs/dbraw/zinc/22/20/73/1073222073.db2.gz ZDFOPFAPWDDBEM-INIZCTEOSA-N 1 2 430.509 -0.361 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cccc(N)c1=O)C2 ZINC001159530923 1073222083 /nfs/dbraw/zinc/22/20/83/1073222083.db2.gz ZDFOPFAPWDDBEM-MRXNPFEDSA-N 1 2 430.509 -0.361 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534239 1073222489 /nfs/dbraw/zinc/22/24/89/1073222489.db2.gz NUUZOXOGQKGBIH-LQWHRVPQSA-N 1 2 448.545 -0.955 20 0 IBADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541482 1073223866 /nfs/dbraw/zinc/22/38/66/1073223866.db2.gz YIIXGWPIBJZUBI-YLAKUSLOSA-N 1 2 437.518 -0.497 20 0 IBADLO Nc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001159551805 1073223705 /nfs/dbraw/zinc/22/37/05/1073223705.db2.gz JKGPEPLQVBLIGZ-UHFFFAOYSA-N 1 2 447.930 -0.430 20 0 IBADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600672 1073225502 /nfs/dbraw/zinc/22/55/02/1073225502.db2.gz WNRKWQATIAPQJX-LIVBEALHSA-N 1 2 444.517 -0.352 20 0 IBADLO O=C(c1cnc2n1CC[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600696 1073225421 /nfs/dbraw/zinc/22/54/21/1073225421.db2.gz WUHQHYQOUKJVKC-SYNHAJSKSA-N 1 2 444.517 -0.421 20 0 IBADLO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001159623471 1073227309 /nfs/dbraw/zinc/22/73/09/1073227309.db2.gz SOYBDWUUHSBGKE-HNNXBMFYSA-N 1 2 428.555 -0.760 20 0 IBADLO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001159623472 1073227739 /nfs/dbraw/zinc/22/77/39/1073227739.db2.gz SOYBDWUUHSBGKE-OAHLLOKOSA-N 1 2 428.555 -0.760 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)CC[NH2+]1 ZINC001159643167 1073228712 /nfs/dbraw/zinc/22/87/12/1073228712.db2.gz KHCOHWUNEKSHBR-NRJQMVOHSA-N 1 2 443.504 -0.211 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)CC[NH2+]1 ZINC001159643168 1073228658 /nfs/dbraw/zinc/22/86/58/1073228658.db2.gz KHCOHWUNEKSHBR-SGXKBVARSA-N 1 2 443.504 -0.211 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)CC[NH2+]1 ZINC001159643169 1073228648 /nfs/dbraw/zinc/22/86/48/1073228648.db2.gz KHCOHWUNEKSHBR-TVTNDZMWSA-N 1 2 443.504 -0.211 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)CC[NH2+]1 ZINC001159643170 1073228706 /nfs/dbraw/zinc/22/87/06/1073228706.db2.gz KHCOHWUNEKSHBR-ZJBJCVSYSA-N 1 2 443.504 -0.211 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(CC1)CN(c1cncnc1)C(=O)CO3)C[NH2+]C2 ZINC001159655460 1073229880 /nfs/dbraw/zinc/22/98/80/1073229880.db2.gz UMUWSPVGDNQLEC-HNNXBMFYSA-N 1 2 426.481 -0.301 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(CC1)CN(c1cncnc1)C(=O)CO3)C[NH2+]C2 ZINC001159655461 1073229808 /nfs/dbraw/zinc/22/98/08/1073229808.db2.gz UMUWSPVGDNQLEC-OAHLLOKOSA-N 1 2 426.481 -0.301 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCn3cc(CNC(=O)c4cccn4C)nc3C1)C[NH2+]C2 ZINC001159666547 1073230745 /nfs/dbraw/zinc/23/07/45/1073230745.db2.gz QRPDDZRDYXGVFG-HNNXBMFYSA-N 1 2 437.508 -0.008 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCn3cc(CNC(=O)c4cccn4C)nc3C1)C[NH2+]C2 ZINC001159666548 1073230721 /nfs/dbraw/zinc/23/07/21/1073230721.db2.gz QRPDDZRDYXGVFG-OAHLLOKOSA-N 1 2 437.508 -0.008 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC[NH2+]1 ZINC001159709289 1073231235 /nfs/dbraw/zinc/23/12/35/1073231235.db2.gz DGHYZTNMYIUWPL-AGTSVGGPSA-N 1 2 431.493 -0.246 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)CC[NH2+]1 ZINC001159709290 1073231201 /nfs/dbraw/zinc/23/12/01/1073231201.db2.gz DGHYZTNMYIUWPL-FZMABENVSA-N 1 2 431.493 -0.246 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001159709291 1073231223 /nfs/dbraw/zinc/23/12/23/1073231223.db2.gz DGHYZTNMYIUWPL-PSOLEGPJSA-N 1 2 431.493 -0.246 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001159709292 1073231281 /nfs/dbraw/zinc/23/12/81/1073231281.db2.gz DGHYZTNMYIUWPL-UDCKQINGSA-N 1 2 431.493 -0.246 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCO[C@H]3[C@H]1CC[C@H]3CNC(=O)c1ccnnc1)C[NH2+]C2 ZINC001159715207 1073232082 /nfs/dbraw/zinc/23/20/82/1073232082.db2.gz YCWCSGBVTPCQCA-GCVCFTOTSA-N 1 2 440.508 -0.289 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]31)C[NH2+]C2 ZINC001159715210 1073232116 /nfs/dbraw/zinc/23/21/16/1073232116.db2.gz YCWCSGBVTPCQCA-HAYUQVRISA-N 1 2 440.508 -0.289 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]31)C[NH2+]C2 ZINC001159715212 1073232052 /nfs/dbraw/zinc/23/20/52/1073232052.db2.gz YCWCSGBVTPCQCA-LRCYWBKYSA-N 1 2 440.508 -0.289 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]31)C[NH2+]C2 ZINC001159715214 1073232135 /nfs/dbraw/zinc/23/21/35/1073232135.db2.gz YCWCSGBVTPCQCA-OIWLHUINSA-N 1 2 440.508 -0.289 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C1)C[NH2+]C2 ZINC001159737917 1073232956 /nfs/dbraw/zinc/23/29/56/1073232956.db2.gz OKLJVSCGSQDSPA-XFQAVAEZSA-N 1 2 432.525 -0.401 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C1)C[NH2+]C2 ZINC001159737919 1073232920 /nfs/dbraw/zinc/23/29/20/1073232920.db2.gz OKLJVSCGSQDSPA-ZOCZFRKYSA-N 1 2 432.525 -0.401 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001159740518 1073232927 /nfs/dbraw/zinc/23/29/27/1073232927.db2.gz IMZIIIBWJKXAHD-INIZCTEOSA-N 1 2 438.525 -0.027 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001159740520 1073232842 /nfs/dbraw/zinc/23/28/42/1073232842.db2.gz IMZIIIBWJKXAHD-MRXNPFEDSA-N 1 2 438.525 -0.027 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C1)C[NH2+]C2 ZINC001159767355 1073233857 /nfs/dbraw/zinc/23/38/57/1073233857.db2.gz GGTUKGSWAJJYPB-NCOADZHNSA-N 1 2 432.525 -0.545 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C1)C[NH2+]C2 ZINC001159767360 1073233839 /nfs/dbraw/zinc/23/38/39/1073233839.db2.gz GGTUKGSWAJJYPB-VQHPVUNQSA-N 1 2 432.525 -0.545 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001159824080 1073236351 /nfs/dbraw/zinc/23/63/51/1073236351.db2.gz KAABWAJOAKKHPT-PMPSAXMXSA-N 1 2 430.538 -0.338 20 0 IBADLO COC(=O)CNC(=O)CNc1nc2ccc(OC)cc2nc1O[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001159825031 1073236286 /nfs/dbraw/zinc/23/62/86/1073236286.db2.gz RPSMDWUJKPOJPD-DOMZBBRYSA-N 1 2 447.448 -0.378 20 0 IBADLO Cc1cn(CC(=O)NCCNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c(=O)[nH]c1=O ZINC001159940892 1073239064 /nfs/dbraw/zinc/23/90/64/1073239064.db2.gz AUFOFAKDIVHJSL-UHFFFAOYSA-N 1 2 443.512 -0.707 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C1)C[NH2+]C2 ZINC001160078490 1073242895 /nfs/dbraw/zinc/24/28/95/1073242895.db2.gz UCXAIDDFXHIRLK-LISAXSMJSA-N 1 2 442.524 -0.488 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C1)C[NH2+]C2 ZINC001160078491 1073242849 /nfs/dbraw/zinc/24/28/49/1073242849.db2.gz UCXAIDDFXHIRLK-NBOOPKSLSA-N 1 2 442.524 -0.488 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001160086843 1073244186 /nfs/dbraw/zinc/24/41/86/1073244186.db2.gz WMZAUEFRHBZVFY-NBZXXOOGSA-N 1 2 433.509 -0.445 20 0 IBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001160086844 1073244217 /nfs/dbraw/zinc/24/42/17/1073244217.db2.gz WMZAUEFRHBZVFY-OGCZYDBJSA-N 1 2 433.509 -0.445 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001160086845 1073244196 /nfs/dbraw/zinc/24/41/96/1073244196.db2.gz WMZAUEFRHBZVFY-PEJOBZMASA-N 1 2 433.509 -0.445 20 0 IBADLO COC(=O)[C@H]1C[C@H](C(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001160086846 1073244233 /nfs/dbraw/zinc/24/42/33/1073244233.db2.gz WMZAUEFRHBZVFY-PLLDYVMSSA-N 1 2 433.509 -0.445 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC1)C[NH2+]C2 ZINC001160093624 1073246854 /nfs/dbraw/zinc/24/68/54/1073246854.db2.gz HWTFPRMTSRBOLW-CVEARBPZSA-N 1 2 432.525 -0.259 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC1)C[NH2+]C2 ZINC001160093625 1073246842 /nfs/dbraw/zinc/24/68/42/1073246842.db2.gz HWTFPRMTSRBOLW-HOTGVXAUSA-N 1 2 432.525 -0.259 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC1)C[NH2+]C2 ZINC001160093626 1073246906 /nfs/dbraw/zinc/24/69/06/1073246906.db2.gz HWTFPRMTSRBOLW-HZPDHXFCSA-N 1 2 432.525 -0.259 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC1)C[NH2+]C2 ZINC001160093627 1073246799 /nfs/dbraw/zinc/24/67/99/1073246799.db2.gz HWTFPRMTSRBOLW-JKSUJKDBSA-N 1 2 432.525 -0.259 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C1)C[NH2+]C2 ZINC001160191976 1073249665 /nfs/dbraw/zinc/24/96/65/1073249665.db2.gz POBDVHCKCWUCNI-BTYIYWSLSA-N 1 2 431.541 -0.150 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C1)C[NH2+]C2 ZINC001160191978 1073249734 /nfs/dbraw/zinc/24/97/34/1073249734.db2.gz POBDVHCKCWUCNI-QVKFZJNVSA-N 1 2 431.541 -0.150 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C1)C[NH2+]C2 ZINC001160191981 1073249619 /nfs/dbraw/zinc/24/96/19/1073249619.db2.gz POBDVHCKCWUCNI-VFNWGFHPSA-N 1 2 431.541 -0.150 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C1)C[NH2+]C2 ZINC001160191983 1073249763 /nfs/dbraw/zinc/24/97/63/1073249763.db2.gz POBDVHCKCWUCNI-YCRPNKLZSA-N 1 2 431.541 -0.150 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]31)C[NH2+]C2 ZINC001160211818 1073250192 /nfs/dbraw/zinc/25/01/92/1073250192.db2.gz JRZFWTPEYJYHBO-DUFGSWQCSA-N 1 2 428.497 -0.593 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]31)C[NH2+]C2 ZINC001160211819 1073250201 /nfs/dbraw/zinc/25/02/01/1073250201.db2.gz JRZFWTPEYJYHBO-MKVSYHDVSA-N 1 2 428.497 -0.593 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCc3ccc(=O)n(CC(=O)N(C)C)c3CC1)C[NH2+]C2 ZINC001160268106 1073252268 /nfs/dbraw/zinc/25/22/68/1073252268.db2.gz XMYZFWVRTSRCQU-HNNXBMFYSA-N 1 2 427.509 -0.638 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCc3ccc(=O)n(CC(=O)N(C)C)c3CC1)C[NH2+]C2 ZINC001160268107 1073252275 /nfs/dbraw/zinc/25/22/75/1073252275.db2.gz XMYZFWVRTSRCQU-OAHLLOKOSA-N 1 2 427.509 -0.638 20 0 IBADLO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1)C2 ZINC001160381090 1073256905 /nfs/dbraw/zinc/25/69/05/1073256905.db2.gz PWBDHFYUWXIXKT-MRXNPFEDSA-N 1 2 444.492 -0.314 20 0 IBADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160391802 1073257884 /nfs/dbraw/zinc/25/78/84/1073257884.db2.gz QFPVLBZCZSLIES-LTIDMASMSA-N 1 2 428.497 -0.923 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160392481 1073257832 /nfs/dbraw/zinc/25/78/32/1073257832.db2.gz ZYYUDYVVERDNBL-CEXWTWQISA-N 1 2 429.521 -0.574 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(CC1)CN(C(=O)c1cnccn1)CCO3)C[NH2+]C2 ZINC001160398287 1073257764 /nfs/dbraw/zinc/25/77/64/1073257764.db2.gz HXMUQLBWOKDBNV-HNNXBMFYSA-N 1 2 440.508 -0.191 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(CC1)CN(C(=O)c1cnccn1)CCO3)C[NH2+]C2 ZINC001160398288 1073257865 /nfs/dbraw/zinc/25/78/65/1073257865.db2.gz HXMUQLBWOKDBNV-OAHLLOKOSA-N 1 2 440.508 -0.191 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001160399718 1073258452 /nfs/dbraw/zinc/25/84/52/1073258452.db2.gz VBMKRSBELOIQPB-CVEARBPZSA-N 1 2 431.493 -0.149 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001160399719 1073258359 /nfs/dbraw/zinc/25/83/59/1073258359.db2.gz VBMKRSBELOIQPB-HOTGVXAUSA-N 1 2 431.493 -0.149 20 0 IBADLO COC(=O)[C@H]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001160399720 1073258440 /nfs/dbraw/zinc/25/84/40/1073258440.db2.gz VBMKRSBELOIQPB-HZPDHXFCSA-N 1 2 431.493 -0.149 20 0 IBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001160399721 1073258397 /nfs/dbraw/zinc/25/83/97/1073258397.db2.gz VBMKRSBELOIQPB-JKSUJKDBSA-N 1 2 431.493 -0.149 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]31)C[NH2+]C2 ZINC001160400701 1073258407 /nfs/dbraw/zinc/25/84/07/1073258407.db2.gz BXDQSURSHNNXPW-KMANFZQXSA-N 1 2 428.497 -0.593 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]31)C[NH2+]C2 ZINC001160400704 1073258483 /nfs/dbraw/zinc/25/84/83/1073258483.db2.gz BXDQSURSHNNXPW-NOVWEMISSA-N 1 2 428.497 -0.593 20 0 IBADLO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160426777 1073261361 /nfs/dbraw/zinc/26/13/61/1073261361.db2.gz GTJDVOGRCYCTKT-IKGGRYGDSA-N 1 2 435.477 -0.890 20 0 IBADLO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160426779 1073261576 /nfs/dbraw/zinc/26/15/76/1073261576.db2.gz GTJDVOGRCYCTKT-ULQDDVLXSA-N 1 2 435.477 -0.890 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)C[NH2+]C2 ZINC001160468154 1073262546 /nfs/dbraw/zinc/26/25/46/1073262546.db2.gz YAFWCSCWLPNJFG-KBXCAEBGSA-N 1 2 426.477 -0.004 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCN(C(=O)[C@@H]3COc4ccccc4O3)CC1)C[NH2+]C2 ZINC001160468155 1073262496 /nfs/dbraw/zinc/26/24/96/1073262496.db2.gz YAFWCSCWLPNJFG-KDOFPFPSSA-N 1 2 426.477 -0.004 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCN(C(=O)[C@@H]3COc4ccccc4O3)CC1)C[NH2+]C2 ZINC001160468157 1073262577 /nfs/dbraw/zinc/26/25/77/1073262577.db2.gz YAFWCSCWLPNJFG-KSSFIOAISA-N 1 2 426.477 -0.004 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)C[NH2+]C2 ZINC001160468159 1073262370 /nfs/dbraw/zinc/26/23/70/1073262370.db2.gz YAFWCSCWLPNJFG-RDTXWAMCSA-N 1 2 426.477 -0.004 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001160615638 1073265765 /nfs/dbraw/zinc/26/57/65/1073265765.db2.gz IRRPDCSQHMTZBC-UHFFFAOYSA-N 1 2 431.518 -0.110 20 0 IBADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001160615838 1073266245 /nfs/dbraw/zinc/26/62/45/1073266245.db2.gz PQMSLQUHECBMAW-HNNXBMFYSA-N 1 2 430.494 -0.459 20 0 IBADLO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628443 1073266598 /nfs/dbraw/zinc/26/65/98/1073266598.db2.gz IIPLSJVRBRRLNA-TXPKVOOTSA-N 1 2 447.536 -0.182 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)C(=O)NCC(N)=O ZINC001160630134 1073267005 /nfs/dbraw/zinc/26/70/05/1073267005.db2.gz VZVFLYAUHMTERU-IHRRRGAJSA-N 1 2 431.484 -0.645 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC(F)(F)C1)C(=O)NCC(N)=O ZINC001160630135 1073266906 /nfs/dbraw/zinc/26/69/06/1073266906.db2.gz VZVFLYAUHMTERU-RDBSUJKOSA-N 1 2 431.484 -0.645 20 0 IBADLO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)C2 ZINC001160761064 1073270305 /nfs/dbraw/zinc/27/03/05/1073270305.db2.gz UXLNUCQNORETGA-AWEZNQCLSA-N 1 2 429.481 -0.224 20 0 IBADLO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C2 ZINC001160761786 1073270237 /nfs/dbraw/zinc/27/02/37/1073270237.db2.gz DJWCFVLLVCAPAM-BBRMVZONSA-N 1 2 448.520 -0.483 20 0 IBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001160783509 1073270913 /nfs/dbraw/zinc/27/09/13/1073270913.db2.gz LPFYEDWWRWJUCF-HNNXBMFYSA-N 1 2 433.575 -0.122 20 0 IBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001160783510 1073271056 /nfs/dbraw/zinc/27/10/56/1073271056.db2.gz LPFYEDWWRWJUCF-OAHLLOKOSA-N 1 2 433.575 -0.122 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)N1CCN(CC(=O)NCCc3ccccc3)CC1)C[NH2+]C2 ZINC001160889764 1073272478 /nfs/dbraw/zinc/27/24/78/1073272478.db2.gz ATOGJKNOLUWYBU-GOSISDBHSA-N 1 2 425.537 -0.012 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)N1CCN(CC(=O)NCCc3ccccc3)CC1)C[NH2+]C2 ZINC001160889765 1073272605 /nfs/dbraw/zinc/27/26/05/1073272605.db2.gz ATOGJKNOLUWYBU-SFHVURJKSA-N 1 2 425.537 -0.012 20 0 IBADLO C=C(N)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991426 1073275045 /nfs/dbraw/zinc/27/50/45/1073275045.db2.gz CZXCNDSMZPTKOA-HOTGVXAUSA-N 1 2 435.479 -0.092 20 0 IBADLO CCOC(=O)CN1CCC(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001161081772 1073276323 /nfs/dbraw/zinc/27/63/23/1073276323.db2.gz HVCHPXZDLSGNNM-UHFFFAOYSA-N 1 2 435.529 -0.594 20 0 IBADLO CCOC(=O)CN1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001161081772 1073276317 /nfs/dbraw/zinc/27/63/17/1073276317.db2.gz HVCHPXZDLSGNNM-UHFFFAOYSA-N 1 2 435.529 -0.594 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@]([NH3+])(C(=O)OC)C2)c2ccccc2)C(=O)C1=O ZINC001161137656 1073279396 /nfs/dbraw/zinc/27/93/96/1073279396.db2.gz FZSZKLQVAPJQSL-QVKFZJNVSA-N 1 2 445.476 -0.769 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@@]([NH3+])(C(=O)OC)C2)c2ccccc2)C(=O)C1=O ZINC001161137660 1073279139 /nfs/dbraw/zinc/27/91/39/1073279139.db2.gz FZSZKLQVAPJQSL-VFNWGFHPSA-N 1 2 445.476 -0.769 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C1 ZINC001161138219 1073279185 /nfs/dbraw/zinc/27/91/85/1073279185.db2.gz PWRDSSPGOQAHFN-AUUYWEPGSA-N 1 2 434.497 -0.643 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C1 ZINC001161138220 1073279794 /nfs/dbraw/zinc/27/97/94/1073279794.db2.gz PWRDSSPGOQAHFN-IFXJQAMLSA-N 1 2 434.497 -0.643 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C1 ZINC001161138221 1073279667 /nfs/dbraw/zinc/27/96/67/1073279667.db2.gz PWRDSSPGOQAHFN-KUHUBIRLSA-N 1 2 434.497 -0.643 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C1 ZINC001161138222 1073279839 /nfs/dbraw/zinc/27/98/39/1073279839.db2.gz PWRDSSPGOQAHFN-LIRRHRJNSA-N 1 2 434.497 -0.643 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001161138894 1073279680 /nfs/dbraw/zinc/27/96/80/1073279680.db2.gz GPNFFSNOLLSHRC-HOIFWPIMSA-N 1 2 441.488 -0.423 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001161138895 1073279765 /nfs/dbraw/zinc/27/97/65/1073279765.db2.gz GPNFFSNOLLSHRC-PNLZDCPESA-N 1 2 441.488 -0.423 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)C1 ZINC001161139284 1073279783 /nfs/dbraw/zinc/27/97/83/1073279783.db2.gz QGHGXDAGRMLNHP-KPZWWZAWSA-N 1 2 436.494 -0.805 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)C1 ZINC001161139285 1073279812 /nfs/dbraw/zinc/27/98/12/1073279812.db2.gz QGHGXDAGRMLNHP-KZULUSFZSA-N 1 2 436.494 -0.805 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)C1 ZINC001161139286 1073279736 /nfs/dbraw/zinc/27/97/36/1073279736.db2.gz QGHGXDAGRMLNHP-SGTLLEGYSA-N 1 2 436.494 -0.805 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)C1 ZINC001161139287 1073279907 /nfs/dbraw/zinc/27/99/07/1073279907.db2.gz QGHGXDAGRMLNHP-XIKOKIGWSA-N 1 2 436.494 -0.805 20 0 IBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3ccc(N4CCN(S(C)(=O)=O)CC4)n3c2)C1 ZINC001161139379 1073279872 /nfs/dbraw/zinc/27/98/72/1073279872.db2.gz SCFPUHCEDKJJGB-FQEVSTJZSA-N 1 2 449.533 -0.263 20 0 IBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3ccc(N4CCN(S(C)(=O)=O)CC4)n3c2)C1 ZINC001161139380 1073279749 /nfs/dbraw/zinc/27/97/49/1073279749.db2.gz SCFPUHCEDKJJGB-HXUWFJFHSA-N 1 2 449.533 -0.263 20 0 IBADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001161152972 1073280264 /nfs/dbraw/zinc/28/02/64/1073280264.db2.gz BZWSTVGIYFPEBO-NSHDSACASA-N 1 2 440.482 -0.988 20 0 IBADLO O=C([C@H]1CCCO1)N1CCC(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001161217803 1073282551 /nfs/dbraw/zinc/28/25/51/1073282551.db2.gz QOUQVHPUMKUQRV-QGZVFWFLSA-N 1 2 447.540 -0.451 20 0 IBADLO O=C([C@H]1CCCO1)N1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001161217803 1073282545 /nfs/dbraw/zinc/28/25/45/1073282545.db2.gz QOUQVHPUMKUQRV-QGZVFWFLSA-N 1 2 447.540 -0.451 20 0 IBADLO O=C(c1ccccn1)N1CC[C@@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001161225162 1073282843 /nfs/dbraw/zinc/28/28/43/1073282843.db2.gz XCRSECRNHYOIJR-MRXNPFEDSA-N 1 2 440.508 -0.312 20 0 IBADLO O=C(c1ccccn1)N1CC[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC001161225162 1073282838 /nfs/dbraw/zinc/28/28/38/1073282838.db2.gz XCRSECRNHYOIJR-MRXNPFEDSA-N 1 2 440.508 -0.312 20 0 IBADLO O=C(CNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)NCc1ccc(F)cc1 ZINC001161334251 1073285180 /nfs/dbraw/zinc/28/51/80/1073285180.db2.gz FJVFNKHVVMLGKD-UHFFFAOYSA-N 1 2 431.472 -0.166 20 0 IBADLO O=C(CNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)NCc1ccc(F)cc1 ZINC001161334251 1073285172 /nfs/dbraw/zinc/28/51/72/1073285172.db2.gz FJVFNKHVVMLGKD-UHFFFAOYSA-N 1 2 431.472 -0.166 20 0 IBADLO Cc1cn([C@H]2C[C@H](Nc3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161492725 1073288808 /nfs/dbraw/zinc/28/88/08/1073288808.db2.gz PIMJURXNSJZMAS-BCUIYNNISA-N 1 2 431.453 -0.738 20 0 IBADLO Cc1cn([C@H]2C[C@H](Nc3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161492725 1073288805 /nfs/dbraw/zinc/28/88/05/1073288805.db2.gz PIMJURXNSJZMAS-BCUIYNNISA-N 1 2 431.453 -0.738 20 0 IBADLO Cc1cn([C@H]2C[C@H](Nc3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161492727 1073288896 /nfs/dbraw/zinc/28/88/96/1073288896.db2.gz PIMJURXNSJZMAS-VPWBDBDCSA-N 1 2 431.453 -0.738 20 0 IBADLO Cc1cn([C@H]2C[C@H](Nc3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161492727 1073288890 /nfs/dbraw/zinc/28/88/90/1073288890.db2.gz PIMJURXNSJZMAS-VPWBDBDCSA-N 1 2 431.453 -0.738 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC001161646087 1073290661 /nfs/dbraw/zinc/29/06/61/1073290661.db2.gz JMWDSBUJCHAAHU-INIZCTEOSA-N 1 2 437.522 -0.030 20 0 IBADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC001161646088 1073290637 /nfs/dbraw/zinc/29/06/37/1073290637.db2.gz JMWDSBUJCHAAHU-MRXNPFEDSA-N 1 2 437.522 -0.030 20 0 IBADLO COCC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001161670335 1073290612 /nfs/dbraw/zinc/29/06/12/1073290612.db2.gz KFFIAVUDRSHDMS-WKILWMFISA-N 1 2 435.529 -0.548 20 0 IBADLO COCC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001161670335 1073290604 /nfs/dbraw/zinc/29/06/04/1073290604.db2.gz KFFIAVUDRSHDMS-WKILWMFISA-N 1 2 435.529 -0.548 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001161732188 1073291190 /nfs/dbraw/zinc/29/11/90/1073291190.db2.gz CIHABWZQWKLXIO-BBRMVZONSA-N 1 2 435.568 -0.419 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001161732189 1073291127 /nfs/dbraw/zinc/29/11/27/1073291127.db2.gz CIHABWZQWKLXIO-CJNGLKHVSA-N 1 2 435.568 -0.419 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001161732190 1073291029 /nfs/dbraw/zinc/29/10/29/1073291029.db2.gz CIHABWZQWKLXIO-CZUORRHYSA-N 1 2 435.568 -0.419 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001161732191 1073291228 /nfs/dbraw/zinc/29/12/28/1073291228.db2.gz CIHABWZQWKLXIO-XJKSGUPXSA-N 1 2 435.568 -0.419 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C[NH+]2CCOCC2)s1 ZINC001161825319 1073291236 /nfs/dbraw/zinc/29/12/36/1073291236.db2.gz YYFHYDSECCVJRD-UHFFFAOYSA-N 1 2 432.568 -0.111 20 0 IBADLO COc1cccc(CNC(=O)CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001161872658 1073296622 /nfs/dbraw/zinc/29/66/22/1073296622.db2.gz IWFSNCKTDMJPRW-UHFFFAOYSA-N 1 2 443.508 -0.296 20 0 IBADLO COc1cccc(CNC(=O)CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)c1 ZINC001161872658 1073296613 /nfs/dbraw/zinc/29/66/13/1073296613.db2.gz IWFSNCKTDMJPRW-UHFFFAOYSA-N 1 2 443.508 -0.296 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2-n2cc(N)c(=O)nc2N)C[NH2+]1 ZINC001162726502 1073299421 /nfs/dbraw/zinc/29/94/21/1073299421.db2.gz TYNIDPNQZGGXGX-YGRLFVJLSA-N 1 2 427.421 -0.126 20 0 IBADLO CCOC(=O)c1c[nH]c2ncnc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)c12 ZINC001162842839 1073299899 /nfs/dbraw/zinc/29/98/99/1073299899.db2.gz VTANSOSJPFPDLU-KBPBESRZSA-N 1 2 440.464 -0.334 20 0 IBADLO COC(=O)c1c[nH]c2ncnc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)c12 ZINC001162846183 1073300889 /nfs/dbraw/zinc/30/08/89/1073300889.db2.gz YRCINYGFSNHQTM-STQMWFEESA-N 1 2 426.437 -0.724 20 0 IBADLO COC(=O)c1cnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001162855529 1073300748 /nfs/dbraw/zinc/30/07/48/1073300748.db2.gz GRUQTLJNGSLEKO-ZDUSSCGKSA-N 1 2 444.510 -0.030 20 0 IBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001162950488 1073301854 /nfs/dbraw/zinc/30/18/54/1073301854.db2.gz ZGINYAYPOUEIRY-CABCVRRESA-N 1 2 446.570 -0.011 20 0 IBADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001162950492 1073301815 /nfs/dbraw/zinc/30/18/15/1073301815.db2.gz ZGINYAYPOUEIRY-GJZGRUSLSA-N 1 2 446.570 -0.011 20 0 IBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001162950496 1073301842 /nfs/dbraw/zinc/30/18/42/1073301842.db2.gz ZGINYAYPOUEIRY-HUUCEWRRSA-N 1 2 446.570 -0.011 20 0 IBADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001162950499 1073301793 /nfs/dbraw/zinc/30/17/93/1073301793.db2.gz ZGINYAYPOUEIRY-LSDHHAIUSA-N 1 2 446.570 -0.011 20 0 IBADLO O=C1COc2ccc(CNc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2N1 ZINC001163093547 1073302774 /nfs/dbraw/zinc/30/27/74/1073302774.db2.gz DWQPRALSBXXQAZ-UHFFFAOYSA-N 1 2 427.465 -0.090 20 0 IBADLO O=C1COc2ccc(CNc3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)cc2N1 ZINC001163093547 1073302763 /nfs/dbraw/zinc/30/27/63/1073302763.db2.gz DWQPRALSBXXQAZ-UHFFFAOYSA-N 1 2 427.465 -0.090 20 0 IBADLO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccc(Cn2cncn2)c[nH+]1)C(N)=O ZINC001163431816 1073304136 /nfs/dbraw/zinc/30/41/36/1073304136.db2.gz DVARHWRSRNNTQD-FMEYXAORSA-N 1 2 439.476 -0.199 20 0 IBADLO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cc(N2CCOCC2)[nH+]cn1)C(N)=O ZINC001163432497 1073304106 /nfs/dbraw/zinc/30/41/06/1073304106.db2.gz IGFKTSXFMQEQRK-AZOIQLNYSA-N 1 2 444.492 -0.607 20 0 IBADLO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cc(N2CCOCC2)nc[nH+]1)C(N)=O ZINC001163432497 1073304101 /nfs/dbraw/zinc/30/41/01/1073304101.db2.gz IGFKTSXFMQEQRK-AZOIQLNYSA-N 1 2 444.492 -0.607 20 0 IBADLO Cc1nc(-n2cncn2)cc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[nH+]1 ZINC001163434467 1073304518 /nfs/dbraw/zinc/30/45/18/1073304518.db2.gz SPNGSSLLRWHYEL-PSZVPEGOSA-N 1 2 440.464 -0.555 20 0 IBADLO COC(=O)[C@H](CCCCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1)NC(=O)CNC(C)=O ZINC001163452739 1073305387 /nfs/dbraw/zinc/30/53/87/1073305387.db2.gz YEELFKYIFRAUNB-GJZGRUSLSA-N 1 2 449.512 -0.693 20 0 IBADLO COC(=O)[C@H](CCCCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1)NC(=O)CNC(C)=O ZINC001163452739 1073305384 /nfs/dbraw/zinc/30/53/84/1073305384.db2.gz YEELFKYIFRAUNB-GJZGRUSLSA-N 1 2 449.512 -0.693 20 0 IBADLO COC(=O)[C@H](CCCCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1)NC(=O)CNC(C)=O ZINC001163452740 1073305434 /nfs/dbraw/zinc/30/54/34/1073305434.db2.gz YEELFKYIFRAUNB-LSDHHAIUSA-N 1 2 449.512 -0.693 20 0 IBADLO COC(=O)[C@H](CCCCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1)NC(=O)CNC(C)=O ZINC001163452740 1073305426 /nfs/dbraw/zinc/30/54/26/1073305426.db2.gz YEELFKYIFRAUNB-LSDHHAIUSA-N 1 2 449.512 -0.693 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCN(C)C(=O)C3)[nH+]cn1)OCC2 ZINC001163474797 1073305529 /nfs/dbraw/zinc/30/55/29/1073305529.db2.gz PVAPWTFLTZOTHZ-HNNXBMFYSA-N 1 2 428.497 -0.234 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1cc(N3CCN(C)C(=O)C3)nc[nH+]1)OCC2 ZINC001163474797 1073305521 /nfs/dbraw/zinc/30/55/21/1073305521.db2.gz PVAPWTFLTZOTHZ-HNNXBMFYSA-N 1 2 428.497 -0.234 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCN(C)C(=O)C3)[nH+]cn1)OCC2 ZINC001163474798 1073305372 /nfs/dbraw/zinc/30/53/72/1073305372.db2.gz PVAPWTFLTZOTHZ-OAHLLOKOSA-N 1 2 428.497 -0.234 20 0 IBADLO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1cc(N3CCN(C)C(=O)C3)nc[nH+]1)OCC2 ZINC001163474798 1073305370 /nfs/dbraw/zinc/30/53/70/1073305370.db2.gz PVAPWTFLTZOTHZ-OAHLLOKOSA-N 1 2 428.497 -0.234 20 0 IBADLO O=C([C@@H]1CCCO1)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001163649925 1073305620 /nfs/dbraw/zinc/30/56/20/1073305620.db2.gz JYQWJPOCGHGDQM-INIZCTEOSA-N 1 2 433.513 -0.628 20 0 IBADLO O=C([C@@H]1CCCO1)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001163649925 1073305611 /nfs/dbraw/zinc/30/56/11/1073305611.db2.gz JYQWJPOCGHGDQM-INIZCTEOSA-N 1 2 433.513 -0.628 20 0 IBADLO O=C([C@H]1CCCO1)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001163649928 1073306010 /nfs/dbraw/zinc/30/60/10/1073306010.db2.gz JYQWJPOCGHGDQM-MRXNPFEDSA-N 1 2 433.513 -0.628 20 0 IBADLO O=C([C@H]1CCCO1)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001163649928 1073306001 /nfs/dbraw/zinc/30/60/01/1073306001.db2.gz JYQWJPOCGHGDQM-MRXNPFEDSA-N 1 2 433.513 -0.628 20 0 IBADLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001164160819 1073306657 /nfs/dbraw/zinc/30/66/57/1073306657.db2.gz RHCNOFJHMOSFMS-HNNXBMFYSA-N 1 2 431.559 -0.489 20 0 IBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001164160820 1073306597 /nfs/dbraw/zinc/30/65/97/1073306597.db2.gz RHCNOFJHMOSFMS-OAHLLOKOSA-N 1 2 431.559 -0.489 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708121 719922625 /nfs/dbraw/zinc/92/26/25/719922625.db2.gz DBWRIFAJFMAJRQ-UHFFFAOYSA-N 1 2 433.538 -0.327 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001164708380 719912335 /nfs/dbraw/zinc/91/23/35/719912335.db2.gz BPSUJNMLLMRGDI-UHFFFAOYSA-N 1 2 425.497 -0.451 20 0 IBADLO COc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(S(C)(=O)=O)n1 ZINC001164708402 719908763 /nfs/dbraw/zinc/90/87/63/719908763.db2.gz CMCZDNYGRYWLEN-UHFFFAOYSA-N 1 2 449.537 -0.428 20 0 IBADLO C[C@@H]1C(=O)Nc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2N1C ZINC001164709296 719909439 /nfs/dbraw/zinc/90/94/39/719909439.db2.gz SKNRNXOBFMIGCD-CYBMUJFWSA-N 1 2 439.524 -0.063 20 0 IBADLO C[C@H]1C(=O)Nc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2N1C ZINC001164709298 719910173 /nfs/dbraw/zinc/91/01/73/719910173.db2.gz SKNRNXOBFMIGCD-ZDUSSCGKSA-N 1 2 439.524 -0.063 20 0 IBADLO CNS(=O)(=O)c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709581 719914226 /nfs/dbraw/zinc/91/42/26/719914226.db2.gz YQTKBSZKEKQLGG-UHFFFAOYSA-N 1 2 433.538 -0.327 20 0 IBADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164709638 719915921 /nfs/dbraw/zinc/91/59/21/719915921.db2.gz ZERKVBFGYUASFZ-UHFFFAOYSA-N 1 2 426.525 -0.003 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164712676 720049261 /nfs/dbraw/zinc/04/92/61/720049261.db2.gz LLQHRSQVAIUHMJ-UHFFFAOYSA-N 1 2 437.501 -0.448 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(N)(=O)=O)C2 ZINC001164822449 720435043 /nfs/dbraw/zinc/43/50/43/720435043.db2.gz FHAMPSNCXILABO-HNNXBMFYSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(N)(=O)=O)C2 ZINC001164822450 720434916 /nfs/dbraw/zinc/43/49/16/720434916.db2.gz FHAMPSNCXILABO-OAHLLOKOSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(N)(=O)=O)cn1)C2 ZINC001164824122 720447462 /nfs/dbraw/zinc/44/74/62/720447462.db2.gz MKMQDISFEHEQJR-HNNXBMFYSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(N)(=O)=O)cn1)C2 ZINC001164824123 720446447 /nfs/dbraw/zinc/44/64/47/720446447.db2.gz MKMQDISFEHEQJR-OAHLLOKOSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(S(N)(=O)=O)ccn1)C2 ZINC001164832689 720476710 /nfs/dbraw/zinc/47/67/10/720476710.db2.gz VTACWNKTZSZIHI-HNNXBMFYSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(S(N)(=O)=O)ccn1)C2 ZINC001164832690 720476793 /nfs/dbraw/zinc/47/67/93/720476793.db2.gz VTACWNKTZSZIHI-OAHLLOKOSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(S(N)(=O)=O)n1)C2 ZINC001164833118 720482498 /nfs/dbraw/zinc/48/24/98/720482498.db2.gz MMNWAVADMZWGPU-HNNXBMFYSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(S(N)(=O)=O)n1)C2 ZINC001164833119 720482136 /nfs/dbraw/zinc/48/21/36/720482136.db2.gz MMNWAVADMZWGPU-OAHLLOKOSA-N 1 2 436.538 -0.085 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(N)(=O)=O)nn1)C2 ZINC001164835047 720478109 /nfs/dbraw/zinc/47/81/09/720478109.db2.gz WCXOATZULCLWLG-AWEZNQCLSA-N 1 2 437.526 -0.690 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(N)(=O)=O)nn1)C2 ZINC001164835051 720478244 /nfs/dbraw/zinc/47/82/44/720478244.db2.gz WCXOATZULCLWLG-CQSZACIVSA-N 1 2 437.526 -0.690 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(N)=O)CC2)C[NH2+]1 ZINC001165152349 1073308536 /nfs/dbraw/zinc/30/85/36/1073308536.db2.gz FJHRHTGJKQGUGD-PBHICJAKSA-N 1 2 444.492 -0.472 20 0 IBADLO COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(N)=O)CC2)C[NH2+]1 ZINC001165152350 1073308449 /nfs/dbraw/zinc/30/84/49/1073308449.db2.gz FJHRHTGJKQGUGD-RHSMWYFYSA-N 1 2 444.492 -0.472 20 0 IBADLO COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(N)=O)CC2)C[NH2+]1 ZINC001165152351 1073308423 /nfs/dbraw/zinc/30/84/23/1073308423.db2.gz FJHRHTGJKQGUGD-WMLDXEAASA-N 1 2 444.492 -0.472 20 0 IBADLO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(N)=O)CC2)C[NH2+]1 ZINC001165152352 1073308475 /nfs/dbraw/zinc/30/84/75/1073308475.db2.gz FJHRHTGJKQGUGD-YOEHRIQHSA-N 1 2 444.492 -0.472 20 0 IBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001165604609 1073311994 /nfs/dbraw/zinc/31/19/94/1073311994.db2.gz DMLOFPNBAGRGFZ-GDBMZVCRSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)C1 ZINC001165604609 1073311990 /nfs/dbraw/zinc/31/19/90/1073311990.db2.gz DMLOFPNBAGRGFZ-GDBMZVCRSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001165604610 1073311962 /nfs/dbraw/zinc/31/19/62/1073311962.db2.gz DMLOFPNBAGRGFZ-GOEBONIOSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)C1 ZINC001165604610 1073311959 /nfs/dbraw/zinc/31/19/59/1073311959.db2.gz DMLOFPNBAGRGFZ-GOEBONIOSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001165604611 1073312037 /nfs/dbraw/zinc/31/20/37/1073312037.db2.gz DMLOFPNBAGRGFZ-HOCLYGCPSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)C1 ZINC001165604611 1073312035 /nfs/dbraw/zinc/31/20/35/1073312035.db2.gz DMLOFPNBAGRGFZ-HOCLYGCPSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001165604612 1073311980 /nfs/dbraw/zinc/31/19/80/1073311980.db2.gz DMLOFPNBAGRGFZ-ZBFHGGJFSA-N 1 2 428.497 -0.474 20 0 IBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)C1 ZINC001165604612 1073311976 /nfs/dbraw/zinc/31/19/76/1073311976.db2.gz DMLOFPNBAGRGFZ-ZBFHGGJFSA-N 1 2 428.497 -0.474 20 0 IBADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001165881205 1073318010 /nfs/dbraw/zinc/31/80/10/1073318010.db2.gz HMVKFWQAXAOQKV-UHFFFAOYSA-N 1 2 432.466 -0.238 20 0 IBADLO COCCN1C[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]2C1=O ZINC001166136778 1073319574 /nfs/dbraw/zinc/31/95/74/1073319574.db2.gz ZWTUZZIPQPWYDM-CVEARBPZSA-N 1 2 433.513 -0.914 20 0 IBADLO COCCN1C[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]2C1=O ZINC001166136778 1073319564 /nfs/dbraw/zinc/31/95/64/1073319564.db2.gz ZWTUZZIPQPWYDM-CVEARBPZSA-N 1 2 433.513 -0.914 20 0 IBADLO Cn1cccc1C(=O)N[C@@H]1CN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)[C@@H]2COC[C@H]12 ZINC001166273851 1073319991 /nfs/dbraw/zinc/31/99/91/1073319991.db2.gz WMIVUJTYZVOMPJ-KCYZZUKISA-N 1 2 425.493 -0.097 20 0 IBADLO Cn1cccc1C(=O)N[C@@H]1CN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)[C@@H]2COC[C@H]12 ZINC001166273871 1073319858 /nfs/dbraw/zinc/31/98/58/1073319858.db2.gz WMIVUJTYZVOMPJ-PNBKFKSVSA-N 1 2 425.493 -0.097 20 0 IBADLO CC(=O)N1CCC[C@]2(C1)CN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)CCO2 ZINC001166324861 1073320235 /nfs/dbraw/zinc/32/02/35/1073320235.db2.gz OIDCJPGMBIHYJJ-NRFANRHFSA-N 1 2 447.540 -0.238 20 0 IBADLO CC(=O)N1CCC[C@]2(C1)CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CCO2 ZINC001166324861 1073320223 /nfs/dbraw/zinc/32/02/23/1073320223.db2.gz OIDCJPGMBIHYJJ-NRFANRHFSA-N 1 2 447.540 -0.238 20 0 IBADLO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)CCO2 ZINC001166324862 1073320362 /nfs/dbraw/zinc/32/03/62/1073320362.db2.gz OIDCJPGMBIHYJJ-OAQYLSRUSA-N 1 2 447.540 -0.238 20 0 IBADLO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CCO2 ZINC001166324862 1073320353 /nfs/dbraw/zinc/32/03/53/1073320353.db2.gz OIDCJPGMBIHYJJ-OAQYLSRUSA-N 1 2 447.540 -0.238 20 0 IBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC[C@H]2S1(=O)=O ZINC001166331863 1073320473 /nfs/dbraw/zinc/32/04/73/1073320473.db2.gz DMNLKVUIMFBFFA-HZPDHXFCSA-N 1 2 438.554 -0.368 20 0 IBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC[C@H]2S1(=O)=O ZINC001166331863 1073320462 /nfs/dbraw/zinc/32/04/62/1073320462.db2.gz DMNLKVUIMFBFFA-HZPDHXFCSA-N 1 2 438.554 -0.368 20 0 IBADLO Cc1nc(-n2cncn2)cc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)[nH+]1 ZINC001166332615 1073320668 /nfs/dbraw/zinc/32/06/68/1073320668.db2.gz GZDLBFKPMXQNFL-HUUCEWRRSA-N 1 2 434.526 -0.316 20 0 IBADLO Cn1ccnc1C(=O)N[C@H]1CN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001166347683 1073321069 /nfs/dbraw/zinc/32/10/69/1073321069.db2.gz RZQGHRDEOZIYHL-JTOWHCCKSA-N 1 2 440.508 -0.170 20 0 IBADLO Cn1ccnc1C(=O)N[C@H]1CN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001166347684 1073321088 /nfs/dbraw/zinc/32/10/88/1073321088.db2.gz RZQGHRDEOZIYHL-LUXYFRNMSA-N 1 2 440.508 -0.170 20 0 IBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001166396405 1073321446 /nfs/dbraw/zinc/32/14/46/1073321446.db2.gz ATHSMIVCSVRBNJ-KRWDZBQOSA-N 1 2 439.520 -0.214 20 0 IBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001166396405 1073321437 /nfs/dbraw/zinc/32/14/37/1073321437.db2.gz ATHSMIVCSVRBNJ-KRWDZBQOSA-N 1 2 439.520 -0.214 20 0 IBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001166396406 1073321394 /nfs/dbraw/zinc/32/13/94/1073321394.db2.gz ATHSMIVCSVRBNJ-QGZVFWFLSA-N 1 2 439.520 -0.214 20 0 IBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001166396406 1073321385 /nfs/dbraw/zinc/32/13/85/1073321385.db2.gz ATHSMIVCSVRBNJ-QGZVFWFLSA-N 1 2 439.520 -0.214 20 0 IBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc[nH+]1 ZINC001166444941 1073321736 /nfs/dbraw/zinc/32/17/36/1073321736.db2.gz RUPNUTPZOOBCBA-HRAATJIYSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)[nH+]cn1 ZINC001166444941 1073321727 /nfs/dbraw/zinc/32/17/27/1073321727.db2.gz RUPNUTPZOOBCBA-HRAATJIYSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc[nH+]1 ZINC001166444942 1073321804 /nfs/dbraw/zinc/32/18/04/1073321804.db2.gz RUPNUTPZOOBCBA-IERDGZPVSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)[nH+]cn1 ZINC001166444942 1073321798 /nfs/dbraw/zinc/32/17/98/1073321798.db2.gz RUPNUTPZOOBCBA-IERDGZPVSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc[nH+]1 ZINC001166444943 1073321860 /nfs/dbraw/zinc/32/18/60/1073321860.db2.gz RUPNUTPZOOBCBA-IIBYNOLFSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)[nH+]cn1 ZINC001166444943 1073321856 /nfs/dbraw/zinc/32/18/56/1073321856.db2.gz RUPNUTPZOOBCBA-IIBYNOLFSA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc[nH+]1 ZINC001166444944 1073321690 /nfs/dbraw/zinc/32/16/90/1073321690.db2.gz RUPNUTPZOOBCBA-KKSFZXQISA-N 1 2 440.508 -0.167 20 0 IBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)[nH+]cn1 ZINC001166444944 1073321685 /nfs/dbraw/zinc/32/16/85/1073321685.db2.gz RUPNUTPZOOBCBA-KKSFZXQISA-N 1 2 440.508 -0.167 20 0 IBADLO Cn1cc(C(=O)N[C@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001166482398 1073322540 /nfs/dbraw/zinc/32/25/40/1073322540.db2.gz BFGVZROQBMFHMZ-CYJAXWMASA-N 1 2 440.508 -0.170 20 0 IBADLO Cn1cc(C(=O)N[C@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001166482399 1073323070 /nfs/dbraw/zinc/32/30/70/1073323070.db2.gz BFGVZROQBMFHMZ-WFXMFSGNSA-N 1 2 440.508 -0.170 20 0 IBADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001166490496 1073322913 /nfs/dbraw/zinc/32/29/13/1073322913.db2.gz BCGWCQLWUUQJQX-UHFFFAOYSA-N 1 2 431.482 -0.953 20 0 IBADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001166490595 1073323052 /nfs/dbraw/zinc/32/30/52/1073323052.db2.gz LCBSIUCSUCCCNN-UHFFFAOYSA-N 1 2 436.480 -0.212 20 0 IBADLO CNS(=O)(=O)c1cccnc1N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001166491141 1073323034 /nfs/dbraw/zinc/32/30/34/1073323034.db2.gz UKSCPDLLIFEQRY-UHFFFAOYSA-N 1 2 444.521 -0.088 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001166491142 1073323006 /nfs/dbraw/zinc/32/30/06/1073323006.db2.gz ULHQAELRTMLWFD-UHFFFAOYSA-N 1 2 444.521 -0.088 20 0 IBADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001166491221 1073322989 /nfs/dbraw/zinc/32/29/89/1073322989.db2.gz RDGFIQVMTVUKQH-UHFFFAOYSA-N 1 2 448.484 -0.209 20 0 IBADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001166492819 1073323017 /nfs/dbraw/zinc/32/30/17/1073323017.db2.gz AGMRNACKARTVDH-UHFFFAOYSA-N 1 2 430.494 -0.348 20 0 IBADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001166494195 1073323110 /nfs/dbraw/zinc/32/31/10/1073323110.db2.gz XTUXJEPEYCCSBS-UHFFFAOYSA-N 1 2 430.494 -0.348 20 0 IBADLO O=C([C@@H]1CCCCN1c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)N1CCOCC1 ZINC001166653590 1073323998 /nfs/dbraw/zinc/32/39/98/1073323998.db2.gz KJXMSLISWAUZIO-KRWDZBQOSA-N 1 2 447.540 -0.238 20 0 IBADLO O=C([C@@H]1CCCCN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)N1CCOCC1 ZINC001166653590 1073323990 /nfs/dbraw/zinc/32/39/90/1073323990.db2.gz KJXMSLISWAUZIO-KRWDZBQOSA-N 1 2 447.540 -0.238 20 0 IBADLO O=C([C@H]1CCCCN1c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)N1CCOCC1 ZINC001166653593 1073323895 /nfs/dbraw/zinc/32/38/95/1073323895.db2.gz KJXMSLISWAUZIO-QGZVFWFLSA-N 1 2 447.540 -0.238 20 0 IBADLO O=C([C@H]1CCCCN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)N1CCOCC1 ZINC001166653593 1073323883 /nfs/dbraw/zinc/32/38/83/1073323883.db2.gz KJXMSLISWAUZIO-QGZVFWFLSA-N 1 2 447.540 -0.238 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cc(N2CCOCC2)nc[nH+]1)C(=O)NCC(N)=O ZINC001166894657 1073324858 /nfs/dbraw/zinc/32/48/58/1073324858.db2.gz PVRWJMUOSATTPU-HOTGVXAUSA-N 1 2 447.540 -0.586 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1)C(=O)NCC(N)=O ZINC001166894657 1073324854 /nfs/dbraw/zinc/32/48/54/1073324854.db2.gz PVRWJMUOSATTPU-HOTGVXAUSA-N 1 2 447.540 -0.586 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cc[nH+]c(N2CCOCC2)n1)C(=O)NCC(N)=O ZINC001166896095 1073325502 /nfs/dbraw/zinc/32/55/02/1073325502.db2.gz KHMQDIWLDDFVMM-HOTGVXAUSA-N 1 2 447.540 -0.586 20 0 IBADLO CN(C1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1)S(C)(=O)=O ZINC001166921126 1073326064 /nfs/dbraw/zinc/32/60/64/1073326064.db2.gz DRLCMJMWWTVDFV-UHFFFAOYSA-N 1 2 441.558 -0.595 20 0 IBADLO CN(C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1)S(C)(=O)=O ZINC001166921126 1073326059 /nfs/dbraw/zinc/32/60/59/1073326059.db2.gz DRLCMJMWWTVDFV-UHFFFAOYSA-N 1 2 441.558 -0.595 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCO[C@H](C(N)=O)C2)C[NH2+]1 ZINC001167074314 1070819292 /nfs/dbraw/zinc/81/92/92/1070819292.db2.gz PZOGBLAJJYZDLV-KCXAZCMYSA-N 1 2 431.449 -0.389 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCO[C@@H](C(N)=O)C2)C[NH2+]1 ZINC001167074315 1070819384 /nfs/dbraw/zinc/81/93/84/1070819384.db2.gz PZOGBLAJJYZDLV-UHOFOFEASA-N 1 2 431.449 -0.389 20 0 IBADLO O=C(COC1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1)NC1CC1 ZINC001167143767 1070851614 /nfs/dbraw/zinc/85/16/14/1070851614.db2.gz VKPIEZRREHJJES-UHFFFAOYSA-N 1 2 447.540 -0.191 20 0 IBADLO O=C(COC1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1)NC1CC1 ZINC001167143767 1070851588 /nfs/dbraw/zinc/85/15/88/1070851588.db2.gz VKPIEZRREHJJES-UHFFFAOYSA-N 1 2 447.540 -0.191 20 0 IBADLO CCNC(=O)CO[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001167148816 1070852118 /nfs/dbraw/zinc/85/21/18/1070852118.db2.gz KITDYJIDDSZAKX-INIZCTEOSA-N 1 2 435.529 -0.334 20 0 IBADLO CCNC(=O)CO[C@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC001167148816 1070852085 /nfs/dbraw/zinc/85/20/85/1070852085.db2.gz KITDYJIDDSZAKX-INIZCTEOSA-N 1 2 435.529 -0.334 20 0 IBADLO CCNC(=O)CO[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001167148817 1070852278 /nfs/dbraw/zinc/85/22/78/1070852278.db2.gz KITDYJIDDSZAKX-MRXNPFEDSA-N 1 2 435.529 -0.334 20 0 IBADLO CCNC(=O)CO[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC001167148817 1070852247 /nfs/dbraw/zinc/85/22/47/1070852247.db2.gz KITDYJIDDSZAKX-MRXNPFEDSA-N 1 2 435.529 -0.334 20 0 IBADLO COC(=O)[C@@H]1COCCC12CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001167164659 1070854705 /nfs/dbraw/zinc/85/47/05/1070854705.db2.gz SJJLUYWFVQZNBC-HNNXBMFYSA-N 1 2 434.497 -0.439 20 0 IBADLO COC(=O)[C@@H]1COCCC12CN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C2 ZINC001167164659 1070854677 /nfs/dbraw/zinc/85/46/77/1070854677.db2.gz SJJLUYWFVQZNBC-HNNXBMFYSA-N 1 2 434.497 -0.439 20 0 IBADLO COC(=O)[C@H]1COCCC12CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001167164661 1070855802 /nfs/dbraw/zinc/85/58/02/1070855802.db2.gz SJJLUYWFVQZNBC-OAHLLOKOSA-N 1 2 434.497 -0.439 20 0 IBADLO COC(=O)[C@H]1COCCC12CN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C2 ZINC001167164661 1070855775 /nfs/dbraw/zinc/85/57/75/1070855775.db2.gz SJJLUYWFVQZNBC-OAHLLOKOSA-N 1 2 434.497 -0.439 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001167203663 1070859453 /nfs/dbraw/zinc/85/94/53/1070859453.db2.gz CFAFSXUSMXKPKU-FQEVSTJZSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001167203663 1070859431 /nfs/dbraw/zinc/85/94/31/1070859431.db2.gz CFAFSXUSMXKPKU-FQEVSTJZSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001167203664 1070859332 /nfs/dbraw/zinc/85/93/32/1070859332.db2.gz CFAFSXUSMXKPKU-HXUWFJFHSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001167203664 1070859306 /nfs/dbraw/zinc/85/93/06/1070859306.db2.gz CFAFSXUSMXKPKU-HXUWFJFHSA-N 1 2 441.550 -0.043 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC001167216480 1070861005 /nfs/dbraw/zinc/86/10/05/1070861005.db2.gz WZIYTDTXOXRUIX-JOCHJYFZSA-N 1 2 428.489 -0.010 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC001167216480 1070860980 /nfs/dbraw/zinc/86/09/80/1070860980.db2.gz WZIYTDTXOXRUIX-JOCHJYFZSA-N 1 2 428.489 -0.010 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC001167216481 1070861244 /nfs/dbraw/zinc/86/12/44/1070861244.db2.gz WZIYTDTXOXRUIX-QFIPXVFZSA-N 1 2 428.489 -0.010 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC001167216481 1070861220 /nfs/dbraw/zinc/86/12/20/1070861220.db2.gz WZIYTDTXOXRUIX-QFIPXVFZSA-N 1 2 428.489 -0.010 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1=O ZINC001167216557 1070860540 /nfs/dbraw/zinc/86/05/40/1070860540.db2.gz YUFGUPZNTJLKFW-JOCHJYFZSA-N 1 2 430.505 -0.085 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1=O ZINC001167216557 1070860514 /nfs/dbraw/zinc/86/05/14/1070860514.db2.gz YUFGUPZNTJLKFW-JOCHJYFZSA-N 1 2 430.505 -0.085 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1=O ZINC001167216558 1070860909 /nfs/dbraw/zinc/86/09/09/1070860909.db2.gz YUFGUPZNTJLKFW-QFIPXVFZSA-N 1 2 430.505 -0.085 20 0 IBADLO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1=O ZINC001167216558 1070860891 /nfs/dbraw/zinc/86/08/91/1070860891.db2.gz YUFGUPZNTJLKFW-QFIPXVFZSA-N 1 2 430.505 -0.085 20 0 IBADLO COC(=O)CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC[NH+]1CCOCC1 ZINC001167446870 1070961836 /nfs/dbraw/zinc/96/18/36/1070961836.db2.gz FDRKJDHJXQZIRJ-UHFFFAOYSA-N 1 2 428.511 -0.530 20 0 IBADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001167451356 1070966186 /nfs/dbraw/zinc/96/61/86/1070966186.db2.gz IFWZYTKKRHQRPF-INIZCTEOSA-N 1 2 448.549 -0.312 20 0 IBADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001167451357 1070966126 /nfs/dbraw/zinc/96/61/26/1070966126.db2.gz IFWZYTKKRHQRPF-MRXNPFEDSA-N 1 2 448.549 -0.312 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001167470599 1070982924 /nfs/dbraw/zinc/98/29/24/1070982924.db2.gz VXJOJTHKCCQZKL-UHFFFAOYSA-N 1 2 430.552 -0.069 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001167470599 1070982914 /nfs/dbraw/zinc/98/29/14/1070982914.db2.gz VXJOJTHKCCQZKL-UHFFFAOYSA-N 1 2 430.552 -0.069 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001167473621 1070986217 /nfs/dbraw/zinc/98/62/17/1070986217.db2.gz NXEQVZNUHZIJBN-HNNXBMFYSA-N 1 2 433.914 -0.456 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001167473621 1070986206 /nfs/dbraw/zinc/98/62/06/1070986206.db2.gz NXEQVZNUHZIJBN-HNNXBMFYSA-N 1 2 433.914 -0.456 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001167473623 1070986347 /nfs/dbraw/zinc/98/63/47/1070986347.db2.gz NXEQVZNUHZIJBN-OAHLLOKOSA-N 1 2 433.914 -0.456 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001167473623 1070986339 /nfs/dbraw/zinc/98/63/39/1070986339.db2.gz NXEQVZNUHZIJBN-OAHLLOKOSA-N 1 2 433.914 -0.456 20 0 IBADLO CCOc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nn1 ZINC001167634449 1071131466 /nfs/dbraw/zinc/13/14/66/1071131466.db2.gz VMNQDNPABVCUDX-KRWDZBQOSA-N 1 2 432.525 -0.295 20 0 IBADLO CCOc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nn1 ZINC001167634462 1071131428 /nfs/dbraw/zinc/13/14/28/1071131428.db2.gz VMNQDNPABVCUDX-QGZVFWFLSA-N 1 2 432.525 -0.295 20 0 IBADLO CN(C)C(=O)OCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001167996880 1072286373 /nfs/dbraw/zinc/28/63/73/1072286373.db2.gz UDXIDKQBUBBADF-UHFFFAOYSA-N 1 2 427.527 -0.077 20 0 IBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001168350886 1073035898 /nfs/dbraw/zinc/03/58/98/1073035898.db2.gz XOJQRHHDEGGQDW-FHSNZYRGSA-N 1 2 428.511 -0.149 20 0 IBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001168350888 1073036266 /nfs/dbraw/zinc/03/62/66/1073036266.db2.gz XOJQRHHDEGGQDW-SNUQEOBHSA-N 1 2 428.511 -0.149 20 0 IBADLO NS(=O)(=O)c1c(-n2cnc(C[NH3+])n2)ccc(I)c1-c1nn[nH]n1 ZINC001168754821 1073275408 /nfs/dbraw/zinc/27/54/08/1073275408.db2.gz YPJPHKKWXSAYDP-UHFFFAOYSA-N 1 2 447.222 -0.842 20 0 IBADLO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001169167770 1073595960 /nfs/dbraw/zinc/59/59/60/1073595960.db2.gz LFOKPZOYFKUIPJ-GFCCVEGCSA-N 1 2 432.485 -0.133 20 0 IBADLO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001169167773 1073595778 /nfs/dbraw/zinc/59/57/78/1073595778.db2.gz LFOKPZOYFKUIPJ-LBPRGKRZSA-N 1 2 432.485 -0.133 20 0 IBADLO COC(=O)C1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)CC1 ZINC001169335315 1073598681 /nfs/dbraw/zinc/59/86/81/1073598681.db2.gz NFAGGNAOZASJHJ-UHFFFAOYSA-N 1 2 426.543 -0.145 20 0 IBADLO CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001169913532 1073607263 /nfs/dbraw/zinc/60/72/63/1073607263.db2.gz VYFHWYWWDWQNGN-DLBZAZTESA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001169913532 1073607258 /nfs/dbraw/zinc/60/72/58/1073607258.db2.gz VYFHWYWWDWQNGN-DLBZAZTESA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001169913533 1073607290 /nfs/dbraw/zinc/60/72/90/1073607290.db2.gz VYFHWYWWDWQNGN-IRXDYDNUSA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001169913533 1073607281 /nfs/dbraw/zinc/60/72/81/1073607281.db2.gz VYFHWYWWDWQNGN-IRXDYDNUSA-N 1 2 427.523 -0.101 20 0 IBADLO Cc1cn2ccc(I)c(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH+]1 ZINC001169971097 1073624983 /nfs/dbraw/zinc/62/49/83/1073624983.db2.gz ITLMNJFHRXWTFU-MNNAQAQOSA-N 1 2 435.218 -0.541 20 0 IBADLO Cc1cn2ccc(I)c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c2[nH+]1 ZINC001169971106 1073624954 /nfs/dbraw/zinc/62/49/54/1073624954.db2.gz ITLMNJFHRXWTFU-PDOXLSOOSA-N 1 2 435.218 -0.541 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)cc2S1(=O)=O ZINC001170103008 1073778838 /nfs/dbraw/zinc/77/88/38/1073778838.db2.gz YQYYCGAAIKACSP-INIZCTEOSA-N 1 2 433.490 -0.002 20 0 IBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)cc2S1(=O)=O ZINC001170103011 1073778900 /nfs/dbraw/zinc/77/89/00/1073778900.db2.gz YQYYCGAAIKACSP-MRXNPFEDSA-N 1 2 433.490 -0.002 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)cn1 ZINC001170112224 1073782738 /nfs/dbraw/zinc/78/27/38/1073782738.db2.gz NHYWHNNTGHRYNQ-NJAFHUGGSA-N 1 2 437.497 -0.144 20 0 IBADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)cn1 ZINC001170112225 1073782760 /nfs/dbraw/zinc/78/27/60/1073782760.db2.gz NHYWHNNTGHRYNQ-NXHRZFHOSA-N 1 2 437.497 -0.144 20 0 IBADLO C[NH+]1CCN(C(=O)c2ccnc(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c2)CC1 ZINC001170687340 1073998923 /nfs/dbraw/zinc/99/89/23/1073998923.db2.gz GWKVOAOLQMPPCO-INIZCTEOSA-N 1 2 429.481 -0.884 20 0 IBADLO COC(=O)C1CCN(c2cc(NCCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)nc[nH+]2)CC1 ZINC001171082255 1074066085 /nfs/dbraw/zinc/06/60/85/1074066085.db2.gz OYKHNXYAZFAKIG-UHFFFAOYSA-N 1 2 445.480 -0.335 20 0 IBADLO COC(=O)C1CCN(c2cc(NCCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)[nH+]cn2)CC1 ZINC001171082255 1074066077 /nfs/dbraw/zinc/06/60/77/1074066077.db2.gz OYKHNXYAZFAKIG-UHFFFAOYSA-N 1 2 445.480 -0.335 20 0 IBADLO Cc1cn(CC(=O)NCCNc2ccc(OCC[NH+]3CCOCC3)nc2)c(=O)[nH]c1=O ZINC001171092008 1074068055 /nfs/dbraw/zinc/06/80/55/1074068055.db2.gz YKXRHBXIIHZYAI-UHFFFAOYSA-N 1 2 432.481 -0.408 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@@H+](C)[C@H](CO)C2)o1 ZINC001171139625 1074071200 /nfs/dbraw/zinc/07/12/00/1074071200.db2.gz NDZOSRMWPACJCE-KBPBESRZSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@H+](C)[C@H](CO)C2)o1 ZINC001171139625 1074071193 /nfs/dbraw/zinc/07/11/93/1074071193.db2.gz NDZOSRMWPACJCE-KBPBESRZSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)o1 ZINC001171139626 1074071550 /nfs/dbraw/zinc/07/15/50/1074071550.db2.gz NDZOSRMWPACJCE-KGLIPLIRSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@H+](C)[C@@H](CO)C2)o1 ZINC001171139626 1074071542 /nfs/dbraw/zinc/07/15/42/1074071542.db2.gz NDZOSRMWPACJCE-KGLIPLIRSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@@H+](C)[C@H](CO)C2)o1 ZINC001171139627 1074071671 /nfs/dbraw/zinc/07/16/71/1074071671.db2.gz NDZOSRMWPACJCE-UONOGXRCSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@H+](C)[C@H](CO)C2)o1 ZINC001171139627 1074071660 /nfs/dbraw/zinc/07/16/60/1074071660.db2.gz NDZOSRMWPACJCE-UONOGXRCSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)o1 ZINC001171139628 1074071631 /nfs/dbraw/zinc/07/16/31/1074071631.db2.gz NDZOSRMWPACJCE-ZIAGYGMSSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@H+](C)[C@@H](CO)C2)o1 ZINC001171139628 1074071604 /nfs/dbraw/zinc/07/16/04/1074071604.db2.gz NDZOSRMWPACJCE-ZIAGYGMSSA-N 1 2 429.495 -0.256 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001171141139 1074071704 /nfs/dbraw/zinc/07/17/04/1074071704.db2.gz ZKWWTZIWKMZPQP-INIZCTEOSA-N 1 2 440.566 -0.230 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001171141139 1074071693 /nfs/dbraw/zinc/07/16/93/1074071693.db2.gz ZKWWTZIWKMZPQP-INIZCTEOSA-N 1 2 440.566 -0.230 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001171141140 1074071745 /nfs/dbraw/zinc/07/17/45/1074071745.db2.gz ZKWWTZIWKMZPQP-MRXNPFEDSA-N 1 2 440.566 -0.230 20 0 IBADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001171141140 1074071734 /nfs/dbraw/zinc/07/17/34/1074071734.db2.gz ZKWWTZIWKMZPQP-MRXNPFEDSA-N 1 2 440.566 -0.230 20 0 IBADLO COCOc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1C=C[NH+](C)C ZINC001171263609 1074087414 /nfs/dbraw/zinc/08/74/14/1074087414.db2.gz SHVRFNKNLULBOC-XHHASPNUSA-N 1 2 448.480 -0.691 20 0 IBADLO CCOC(=O)c1nc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2[nH]1 ZINC001171266135 1074089053 /nfs/dbraw/zinc/08/90/53/1074089053.db2.gz DOMAKGVLNPPWKJ-DNNBLBMLSA-N 1 2 430.421 -0.548 20 0 IBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001171788410 1074124900 /nfs/dbraw/zinc/12/49/00/1074124900.db2.gz VEMJGQYMGSXTAE-UHFFFAOYSA-N 1 2 448.586 -0.257 20 0 IBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)cc1 ZINC001171823625 1074124349 /nfs/dbraw/zinc/12/43/49/1074124349.db2.gz JLMYPLZXZXUFIN-INIZCTEOSA-N 1 2 429.477 -0.236 20 0 IBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)cc1 ZINC001171823625 1074124347 /nfs/dbraw/zinc/12/43/47/1074124347.db2.gz JLMYPLZXZXUFIN-INIZCTEOSA-N 1 2 429.477 -0.236 20 0 IBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)cc1 ZINC001171823626 1074124394 /nfs/dbraw/zinc/12/43/94/1074124394.db2.gz JLMYPLZXZXUFIN-MRXNPFEDSA-N 1 2 429.477 -0.236 20 0 IBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)cc1 ZINC001171823626 1074124393 /nfs/dbraw/zinc/12/43/93/1074124393.db2.gz JLMYPLZXZXUFIN-MRXNPFEDSA-N 1 2 429.477 -0.236 20 0 IBADLO COC(=O)[C@@H]1C[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[C@@H]1C(=O)OC ZINC001173574595 1074131534 /nfs/dbraw/zinc/13/15/34/1074131534.db2.gz HJSXVDUUTCYFCR-ACHSLPGTSA-N 1 2 447.536 -0.093 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[C@@H]1C(=O)OC ZINC001173574596 1074131399 /nfs/dbraw/zinc/13/13/99/1074131399.db2.gz HJSXVDUUTCYFCR-XGBSXSJOSA-N 1 2 447.536 -0.093 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC001174575515 1074133693 /nfs/dbraw/zinc/13/36/93/1074133693.db2.gz WQRMHTDJIDWZPN-HNNXBMFYSA-N 1 2 440.522 -0.514 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC001174575515 1074133690 /nfs/dbraw/zinc/13/36/90/1074133690.db2.gz WQRMHTDJIDWZPN-HNNXBMFYSA-N 1 2 440.522 -0.514 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](O)C1 ZINC001174688138 1074134284 /nfs/dbraw/zinc/13/42/84/1074134284.db2.gz PUKFJWKWLITHER-IKGGRYGDSA-N 1 2 440.541 -0.346 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](O)C1 ZINC001174688139 1074134325 /nfs/dbraw/zinc/13/43/25/1074134325.db2.gz PUKFJWKWLITHER-IXDOHACOSA-N 1 2 440.541 -0.346 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](O)C1 ZINC001174688140 1074134292 /nfs/dbraw/zinc/13/42/92/1074134292.db2.gz PUKFJWKWLITHER-ULQDDVLXSA-N 1 2 440.541 -0.346 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](O)C1 ZINC001174688141 1074134320 /nfs/dbraw/zinc/13/43/20/1074134320.db2.gz PUKFJWKWLITHER-YESZJQIVSA-N 1 2 440.541 -0.346 20 0 IBADLO OC[C@H]1O[C@@H](Oc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC001174978795 1074136025 /nfs/dbraw/zinc/13/60/25/1074136025.db2.gz CLACPYSLAKFIFO-OBJCFNGXSA-N 1 2 433.461 -0.160 20 0 IBADLO OC[C@H]1O[C@H](Oc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001174979595 1074136069 /nfs/dbraw/zinc/13/60/69/1074136069.db2.gz CLACPYSLAKFIFO-TZMRYXNNSA-N 1 2 433.461 -0.160 20 0 IBADLO COc1cc(CNC(=O)C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc(OC)c1OC ZINC001175219353 1074137098 /nfs/dbraw/zinc/13/70/98/1074137098.db2.gz FBUYKOZIMSMIPW-UHFFFAOYSA-N 1 2 436.509 -0.001 20 0 IBADLO COc1cc(CNC(=O)C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc(OC)c1OC ZINC001175219353 1074137094 /nfs/dbraw/zinc/13/70/94/1074137094.db2.gz FBUYKOZIMSMIPW-UHFFFAOYSA-N 1 2 436.509 -0.001 20 0 IBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001175219575 1074137102 /nfs/dbraw/zinc/13/71/02/1074137102.db2.gz KOTAWZZQFZMYAV-UHFFFAOYSA-N 1 2 429.587 -0.069 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248369 1074137750 /nfs/dbraw/zinc/13/77/50/1074137750.db2.gz CPHJSNHOLVRYDH-HDICACEKSA-N 1 2 443.547 -0.305 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248369 1074137746 /nfs/dbraw/zinc/13/77/46/1074137746.db2.gz CPHJSNHOLVRYDH-HDICACEKSA-N 1 2 443.547 -0.305 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001175248370 1074137682 /nfs/dbraw/zinc/13/76/82/1074137682.db2.gz CPHJSNHOLVRYDH-QZTJIDSGSA-N 1 2 443.547 -0.305 20 0 IBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248371 1074137716 /nfs/dbraw/zinc/13/77/16/1074137716.db2.gz CPHJSNHOLVRYDH-ROUUACIJSA-N 1 2 443.547 -0.305 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCNC(=O)c1ccc[nH]1)CC2 ZINC001175533169 1074140532 /nfs/dbraw/zinc/14/05/32/1074140532.db2.gz YFGXHNCSMMVZNG-UHFFFAOYSA-N 1 2 427.509 -0.159 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ccc2sccc2c1=O ZINC001175694668 1074141760 /nfs/dbraw/zinc/14/17/60/1074141760.db2.gz ZFTZFUVWNYNJIX-GJZGRUSLSA-N 1 2 442.501 -0.010 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ccc2sccc2c1=O ZINC001175694668 1074141753 /nfs/dbraw/zinc/14/17/53/1074141753.db2.gz ZFTZFUVWNYNJIX-GJZGRUSLSA-N 1 2 442.501 -0.010 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304895 1074144194 /nfs/dbraw/zinc/14/41/94/1074144194.db2.gz SZAWHSGOHYJSTO-CABCVRRESA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304895 1074144189 /nfs/dbraw/zinc/14/41/89/1074144189.db2.gz SZAWHSGOHYJSTO-CABCVRRESA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304896 1074144175 /nfs/dbraw/zinc/14/41/75/1074144175.db2.gz SZAWHSGOHYJSTO-GJZGRUSLSA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304896 1074144171 /nfs/dbraw/zinc/14/41/71/1074144171.db2.gz SZAWHSGOHYJSTO-GJZGRUSLSA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304897 1074144208 /nfs/dbraw/zinc/14/42/08/1074144208.db2.gz SZAWHSGOHYJSTO-HUUCEWRRSA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304897 1074144207 /nfs/dbraw/zinc/14/42/07/1074144207.db2.gz SZAWHSGOHYJSTO-HUUCEWRRSA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304898 1074144152 /nfs/dbraw/zinc/14/41/52/1074144152.db2.gz SZAWHSGOHYJSTO-LSDHHAIUSA-N 1 2 425.555 -0.347 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176304898 1074144148 /nfs/dbraw/zinc/14/41/48/1074144148.db2.gz SZAWHSGOHYJSTO-LSDHHAIUSA-N 1 2 425.555 -0.347 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001176344382 1074144117 /nfs/dbraw/zinc/14/41/17/1074144117.db2.gz DROXKJYMULNGDS-FOIQADDNSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001176344382 1074144111 /nfs/dbraw/zinc/14/41/11/1074144111.db2.gz DROXKJYMULNGDS-FOIQADDNSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001176344385 1074144230 /nfs/dbraw/zinc/14/42/30/1074144230.db2.gz DROXKJYMULNGDS-QRWLVFNGSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001176344385 1074144226 /nfs/dbraw/zinc/14/42/26/1074144226.db2.gz DROXKJYMULNGDS-QRWLVFNGSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001176353417 1074144764 /nfs/dbraw/zinc/14/47/64/1074144764.db2.gz AOJFOZZPZMQDAL-HXUWFJFHSA-N 1 2 426.521 -0.040 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001176353417 1074144761 /nfs/dbraw/zinc/14/47/61/1074144761.db2.gz AOJFOZZPZMQDAL-HXUWFJFHSA-N 1 2 426.521 -0.040 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001176354362 1074144830 /nfs/dbraw/zinc/14/48/30/1074144830.db2.gz ATGMGESKQGSUDZ-APWZRJJASA-N 1 2 427.461 -0.032 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001176354362 1074144828 /nfs/dbraw/zinc/14/48/28/1074144828.db2.gz ATGMGESKQGSUDZ-APWZRJJASA-N 1 2 427.461 -0.032 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001176354364 1074144713 /nfs/dbraw/zinc/14/47/13/1074144713.db2.gz ATGMGESKQGSUDZ-VQIMIIECSA-N 1 2 427.461 -0.032 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001176354364 1074144710 /nfs/dbraw/zinc/14/47/10/1074144710.db2.gz ATGMGESKQGSUDZ-VQIMIIECSA-N 1 2 427.461 -0.032 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001176355045 1074144793 /nfs/dbraw/zinc/14/47/93/1074144793.db2.gz FWHCUYCFMOBPHJ-OAHLLOKOSA-N 1 2 426.437 -0.386 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001176355054 1074144729 /nfs/dbraw/zinc/14/47/29/1074144729.db2.gz GERMKXHZSPHZFZ-DYESRHJHSA-N 1 2 432.525 -0.177 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001176355054 1074144725 /nfs/dbraw/zinc/14/47/25/1074144725.db2.gz GERMKXHZSPHZFZ-DYESRHJHSA-N 1 2 432.525 -0.177 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001176355055 1074144820 /nfs/dbraw/zinc/14/48/20/1074144820.db2.gz GERMKXHZSPHZFZ-UTKZUKDTSA-N 1 2 432.525 -0.177 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001176355055 1074144815 /nfs/dbraw/zinc/14/48/15/1074144815.db2.gz GERMKXHZSPHZFZ-UTKZUKDTSA-N 1 2 432.525 -0.177 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001176355111 1074144642 /nfs/dbraw/zinc/14/46/42/1074144642.db2.gz GQWZSLNIHTTXJH-ZAWLATJESA-N 1 2 433.509 -0.573 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001176355111 1074144641 /nfs/dbraw/zinc/14/46/41/1074144641.db2.gz GQWZSLNIHTTXJH-ZAWLATJESA-N 1 2 433.509 -0.573 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001176355153 1074144624 /nfs/dbraw/zinc/14/46/24/1074144624.db2.gz HHLILLJXVVRBJV-QGZVFWFLSA-N 1 2 428.493 -0.666 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001176355153 1074144622 /nfs/dbraw/zinc/14/46/22/1074144622.db2.gz HHLILLJXVVRBJV-QGZVFWFLSA-N 1 2 428.493 -0.666 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21 ZINC001176356008 1074144750 /nfs/dbraw/zinc/14/47/50/1074144750.db2.gz JBPKCLLGQJASJN-SFNKJDCFSA-N 1 2 428.493 -0.016 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21 ZINC001176356008 1074144747 /nfs/dbraw/zinc/14/47/47/1074144747.db2.gz JBPKCLLGQJASJN-SFNKJDCFSA-N 1 2 428.493 -0.016 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001176356025 1074144664 /nfs/dbraw/zinc/14/46/64/1074144664.db2.gz JDABNJYOXAKUME-QGZVFWFLSA-N 1 2 441.492 -0.219 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001176356025 1074144662 /nfs/dbraw/zinc/14/46/62/1074144662.db2.gz JDABNJYOXAKUME-QGZVFWFLSA-N 1 2 441.492 -0.219 20 0 IBADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176356100 1074144700 /nfs/dbraw/zinc/14/47/00/1074144700.db2.gz JIZQSWUJSNDHHN-HZPDHXFCSA-N 1 2 427.469 -0.494 20 0 IBADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176356100 1074144697 /nfs/dbraw/zinc/14/46/97/1074144697.db2.gz JIZQSWUJSNDHHN-HZPDHXFCSA-N 1 2 427.469 -0.494 20 0 IBADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176356102 1074144738 /nfs/dbraw/zinc/14/47/38/1074144738.db2.gz JIZQSWUJSNDHHN-JKSUJKDBSA-N 1 2 427.469 -0.494 20 0 IBADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176356102 1074144736 /nfs/dbraw/zinc/14/47/36/1074144736.db2.gz JIZQSWUJSNDHHN-JKSUJKDBSA-N 1 2 427.469 -0.494 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001176356247 1074145266 /nfs/dbraw/zinc/14/52/66/1074145266.db2.gz KIPIHADSHANZQX-QGZVFWFLSA-N 1 2 438.492 -0.036 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001176356247 1074145264 /nfs/dbraw/zinc/14/52/64/1074145264.db2.gz KIPIHADSHANZQX-QGZVFWFLSA-N 1 2 438.492 -0.036 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001176356690 1074145288 /nfs/dbraw/zinc/14/52/88/1074145288.db2.gz MIQTZAABPJISGF-OPYAIIAOSA-N 1 2 433.509 -0.144 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001176356690 1074145286 /nfs/dbraw/zinc/14/52/86/1074145286.db2.gz MIQTZAABPJISGF-OPYAIIAOSA-N 1 2 433.509 -0.144 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001176356694 1074145436 /nfs/dbraw/zinc/14/54/36/1074145436.db2.gz MQVSVQVRJIWHQE-XLIONFOSSA-N 1 2 429.481 -0.619 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001176356694 1074145434 /nfs/dbraw/zinc/14/54/34/1074145434.db2.gz MQVSVQVRJIWHQE-XLIONFOSSA-N 1 2 429.481 -0.619 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001176356695 1074145278 /nfs/dbraw/zinc/14/52/78/1074145278.db2.gz MQVSVQVRJIWHQE-YLJYHZDGSA-N 1 2 429.481 -0.619 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001176356695 1074145277 /nfs/dbraw/zinc/14/52/77/1074145277.db2.gz MQVSVQVRJIWHQE-YLJYHZDGSA-N 1 2 429.481 -0.619 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001176356771 1074145362 /nfs/dbraw/zinc/14/53/62/1074145362.db2.gz NXYOACVQTXXBMW-XMTFNYHQSA-N 1 2 429.481 -0.621 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001176356771 1074145357 /nfs/dbraw/zinc/14/53/57/1074145357.db2.gz NXYOACVQTXXBMW-XMTFNYHQSA-N 1 2 429.481 -0.621 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001176357073 1074145453 /nfs/dbraw/zinc/14/54/53/1074145453.db2.gz PLAKRNZLMMJPOM-AJYBTWMASA-N 1 2 433.509 -0.146 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001176357073 1074145452 /nfs/dbraw/zinc/14/54/52/1074145452.db2.gz PLAKRNZLMMJPOM-AJYBTWMASA-N 1 2 433.509 -0.146 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001176357271 1074145312 /nfs/dbraw/zinc/14/53/12/1074145312.db2.gz RDMZSQMZUFJMCK-YYIAUSFCSA-N 1 2 429.481 -0.621 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001176357271 1074145308 /nfs/dbraw/zinc/14/53/08/1074145308.db2.gz RDMZSQMZUFJMCK-YYIAUSFCSA-N 1 2 429.481 -0.621 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001176357602 1074145422 /nfs/dbraw/zinc/14/54/22/1074145422.db2.gz RXXYJJVGZRJDKN-BLIXFSHQSA-N 1 2 433.509 -0.429 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001176357602 1074145416 /nfs/dbraw/zinc/14/54/16/1074145416.db2.gz RXXYJJVGZRJDKN-BLIXFSHQSA-N 1 2 433.509 -0.429 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001176357608 1074145401 /nfs/dbraw/zinc/14/54/01/1074145401.db2.gz SNXLBNSAWZLSQF-GDAAHCPNSA-N 1 2 443.508 -0.516 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001176357608 1074145398 /nfs/dbraw/zinc/14/53/98/1074145398.db2.gz SNXLBNSAWZLSQF-GDAAHCPNSA-N 1 2 443.508 -0.516 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001176357773 1074145492 /nfs/dbraw/zinc/14/54/92/1074145492.db2.gz WXECUFUFOUBEPD-MXASKKJJSA-N 1 2 427.465 -0.393 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001176357773 1074145484 /nfs/dbraw/zinc/14/54/84/1074145484.db2.gz WXECUFUFOUBEPD-MXASKKJJSA-N 1 2 427.465 -0.393 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001176358010 1074145234 /nfs/dbraw/zinc/14/52/34/1074145234.db2.gz XLANSMOGEWAEDF-FUHWJXTLSA-N 1 2 433.509 -0.287 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001176358010 1074145230 /nfs/dbraw/zinc/14/52/30/1074145230.db2.gz XLANSMOGEWAEDF-FUHWJXTLSA-N 1 2 433.509 -0.287 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001176358011 1074145322 /nfs/dbraw/zinc/14/53/22/1074145322.db2.gz XLANSMOGEWAEDF-SJLPKXTDSA-N 1 2 433.509 -0.287 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001176358011 1074145320 /nfs/dbraw/zinc/14/53/20/1074145320.db2.gz XLANSMOGEWAEDF-SJLPKXTDSA-N 1 2 433.509 -0.287 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001176358026 1074145386 /nfs/dbraw/zinc/14/53/86/1074145386.db2.gz YBDUVBSGIRVOFH-DQEVTTJGSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001176358026 1074145382 /nfs/dbraw/zinc/14/53/82/1074145382.db2.gz YBDUVBSGIRVOFH-DQEVTTJGSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001176358027 1074145334 /nfs/dbraw/zinc/14/53/34/1074145334.db2.gz YBDUVBSGIRVOFH-JEDBISTDSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001176358027 1074145330 /nfs/dbraw/zinc/14/53/30/1074145330.db2.gz YBDUVBSGIRVOFH-JEDBISTDSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001176358028 1074145300 /nfs/dbraw/zinc/14/53/00/1074145300.db2.gz YBDUVBSGIRVOFH-KLIQENQMSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001176358028 1074145299 /nfs/dbraw/zinc/14/52/99/1074145299.db2.gz YBDUVBSGIRVOFH-KLIQENQMSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001176358029 1074145471 /nfs/dbraw/zinc/14/54/71/1074145471.db2.gz YBDUVBSGIRVOFH-UTRMSSBJSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001176358029 1074145465 /nfs/dbraw/zinc/14/54/65/1074145465.db2.gz YBDUVBSGIRVOFH-UTRMSSBJSA-N 1 2 441.492 -0.317 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001176358075 1074145250 /nfs/dbraw/zinc/14/52/50/1074145250.db2.gz YHVZBZZGCBENEQ-QGZVFWFLSA-N 1 2 427.465 -0.329 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001176358075 1074145247 /nfs/dbraw/zinc/14/52/47/1074145247.db2.gz YHVZBZZGCBENEQ-QGZVFWFLSA-N 1 2 427.465 -0.329 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001176385802 1074144686 /nfs/dbraw/zinc/14/46/86/1074144686.db2.gz WOSDMJPRIKXOJR-GOSISDBHSA-N 1 2 435.506 -0.206 20 0 IBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001176385802 1074144681 /nfs/dbraw/zinc/14/46/81/1074144681.db2.gz WOSDMJPRIKXOJR-GOSISDBHSA-N 1 2 435.506 -0.206 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496426 1074147356 /nfs/dbraw/zinc/14/73/56/1074147356.db2.gz RRECBLNBVGHXJZ-KBPBESRZSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496426 1074147352 /nfs/dbraw/zinc/14/73/52/1074147352.db2.gz RRECBLNBVGHXJZ-KBPBESRZSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496427 1074147935 /nfs/dbraw/zinc/14/79/35/1074147935.db2.gz RRECBLNBVGHXJZ-KGLIPLIRSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496427 1074147932 /nfs/dbraw/zinc/14/79/32/1074147932.db2.gz RRECBLNBVGHXJZ-KGLIPLIRSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496428 1074147830 /nfs/dbraw/zinc/14/78/30/1074147830.db2.gz RRECBLNBVGHXJZ-UONOGXRCSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496428 1074147828 /nfs/dbraw/zinc/14/78/28/1074147828.db2.gz RRECBLNBVGHXJZ-UONOGXRCSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496429 1074147946 /nfs/dbraw/zinc/14/79/46/1074147946.db2.gz RRECBLNBVGHXJZ-ZIAGYGMSSA-N 1 2 426.514 -0.079 20 0 IBADLO COC(=O)[C@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001176496429 1074147945 /nfs/dbraw/zinc/14/79/45/1074147945.db2.gz RRECBLNBVGHXJZ-ZIAGYGMSSA-N 1 2 426.514 -0.079 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001176602733 1074149299 /nfs/dbraw/zinc/14/92/99/1074149299.db2.gz SWDQJGITGJEOBT-INIZCTEOSA-N 1 2 439.469 -0.343 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001176602733 1074149296 /nfs/dbraw/zinc/14/92/96/1074149296.db2.gz SWDQJGITGJEOBT-INIZCTEOSA-N 1 2 439.469 -0.343 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001176699150 1074149972 /nfs/dbraw/zinc/14/99/72/1074149972.db2.gz HPLMKJDMTDFSNA-CHWSQXEVSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001176699150 1074149970 /nfs/dbraw/zinc/14/99/70/1074149970.db2.gz HPLMKJDMTDFSNA-CHWSQXEVSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001176699151 1074149947 /nfs/dbraw/zinc/14/99/47/1074149947.db2.gz HPLMKJDMTDFSNA-OLZOCXBDSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001176699151 1074149945 /nfs/dbraw/zinc/14/99/45/1074149945.db2.gz HPLMKJDMTDFSNA-OLZOCXBDSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001176699152 1074149984 /nfs/dbraw/zinc/14/99/84/1074149984.db2.gz HPLMKJDMTDFSNA-QWHCGFSZSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001176699152 1074149983 /nfs/dbraw/zinc/14/99/83/1074149983.db2.gz HPLMKJDMTDFSNA-QWHCGFSZSA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001176699153 1074149962 /nfs/dbraw/zinc/14/99/62/1074149962.db2.gz HPLMKJDMTDFSNA-STQMWFEESA-N 1 2 448.567 -0.117 20 0 IBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001176699153 1074149961 /nfs/dbraw/zinc/14/99/61/1074149961.db2.gz HPLMKJDMTDFSNA-STQMWFEESA-N 1 2 448.567 -0.117 20 0 IBADLO NS(=O)(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001176699848 1074149975 /nfs/dbraw/zinc/14/99/75/1074149975.db2.gz NYSYEIHQVPDZKC-AWEZNQCLSA-N 1 2 446.551 -0.744 20 0 IBADLO NS(=O)(=O)C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001176699848 1074149974 /nfs/dbraw/zinc/14/99/74/1074149974.db2.gz NYSYEIHQVPDZKC-AWEZNQCLSA-N 1 2 446.551 -0.744 20 0 IBADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001176699849 1074149936 /nfs/dbraw/zinc/14/99/36/1074149936.db2.gz NYSYEIHQVPDZKC-CQSZACIVSA-N 1 2 446.551 -0.744 20 0 IBADLO NS(=O)(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001176699849 1074149934 /nfs/dbraw/zinc/14/99/34/1074149934.db2.gz NYSYEIHQVPDZKC-CQSZACIVSA-N 1 2 446.551 -0.744 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NCC[NH+]1CC3(COC3)C1)Cn1ccnc12 ZINC001176772054 1074152162 /nfs/dbraw/zinc/15/21/62/1074152162.db2.gz MHOGCPUYZZXMPH-INIZCTEOSA-N 1 2 432.525 -0.297 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC[NH+]1CC3(COC3)C1)Cn1ccnc12 ZINC001176772055 1074152028 /nfs/dbraw/zinc/15/20/28/1074152028.db2.gz MHOGCPUYZZXMPH-MRXNPFEDSA-N 1 2 432.525 -0.297 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)Cn1ccnc12 ZINC001176772932 1074152645 /nfs/dbraw/zinc/15/26/45/1074152645.db2.gz RWUOOXUAPTVDTE-CVEARBPZSA-N 1 2 431.497 -0.303 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)Cn1ccnc12 ZINC001176772932 1074152644 /nfs/dbraw/zinc/15/26/44/1074152644.db2.gz RWUOOXUAPTVDTE-CVEARBPZSA-N 1 2 431.497 -0.303 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)Cn1ccnc12 ZINC001176772933 1074152636 /nfs/dbraw/zinc/15/26/36/1074152636.db2.gz RWUOOXUAPTVDTE-HZPDHXFCSA-N 1 2 431.497 -0.303 20 0 IBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)Cn1ccnc12 ZINC001176772933 1074152632 /nfs/dbraw/zinc/15/26/32/1074152632.db2.gz RWUOOXUAPTVDTE-HZPDHXFCSA-N 1 2 431.497 -0.303 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775029 1074149968 /nfs/dbraw/zinc/14/99/68/1074149968.db2.gz SSLHRWBWRGVPTI-CVEARBPZSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775029 1074149966 /nfs/dbraw/zinc/14/99/66/1074149966.db2.gz SSLHRWBWRGVPTI-CVEARBPZSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775030 1074150602 /nfs/dbraw/zinc/15/06/02/1074150602.db2.gz SSLHRWBWRGVPTI-HOTGVXAUSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775030 1074150597 /nfs/dbraw/zinc/15/05/97/1074150597.db2.gz SSLHRWBWRGVPTI-HOTGVXAUSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775031 1074150588 /nfs/dbraw/zinc/15/05/88/1074150588.db2.gz SSLHRWBWRGVPTI-HZPDHXFCSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775031 1074150585 /nfs/dbraw/zinc/15/05/85/1074150585.db2.gz SSLHRWBWRGVPTI-HZPDHXFCSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775032 1074150665 /nfs/dbraw/zinc/15/06/65/1074150665.db2.gz SSLHRWBWRGVPTI-JKSUJKDBSA-N 1 2 448.524 -0.430 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176775032 1074150663 /nfs/dbraw/zinc/15/06/63/1074150663.db2.gz SSLHRWBWRGVPTI-JKSUJKDBSA-N 1 2 448.524 -0.430 20 0 IBADLO CCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176809192 1074153258 /nfs/dbraw/zinc/15/32/58/1074153258.db2.gz ZUCFFWGNBKYUOM-AWEZNQCLSA-N 1 2 446.595 -0.215 20 0 IBADLO CCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001176809193 1074153187 /nfs/dbraw/zinc/15/31/87/1074153187.db2.gz ZUCFFWGNBKYUOM-CQSZACIVSA-N 1 2 446.595 -0.215 20 0 IBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001176835862 1074153706 /nfs/dbraw/zinc/15/37/06/1074153706.db2.gz FOJUKIOUVWIURE-KBPBESRZSA-N 1 2 426.543 -0.678 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cc1ccc(-n3cnnn3)cc1)CC2 ZINC001176863195 1074153732 /nfs/dbraw/zinc/15/37/32/1074153732.db2.gz PRHFHNKKOFYJLS-UHFFFAOYSA-N 1 2 449.519 -0.089 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001176872768 1074154429 /nfs/dbraw/zinc/15/44/29/1074154429.db2.gz QMBUVWUZQAWJOX-IRXDYDNUSA-N 1 2 437.464 -0.868 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001176872768 1074154427 /nfs/dbraw/zinc/15/44/27/1074154427.db2.gz QMBUVWUZQAWJOX-IRXDYDNUSA-N 1 2 437.464 -0.868 20 0 IBADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001176873772 1074154379 /nfs/dbraw/zinc/15/43/79/1074154379.db2.gz FOMWDEXEUPCEGF-JKSUJKDBSA-N 1 2 432.506 -0.177 20 0 IBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001176883773 1074154326 /nfs/dbraw/zinc/15/43/26/1074154326.db2.gz MPFRPQROOKKUBC-GJZGRUSLSA-N 1 2 440.570 -0.357 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCNC(=O)c1cccnc1 ZINC001176893291 1074154357 /nfs/dbraw/zinc/15/43/57/1074154357.db2.gz BNMVTTPCNZEIGZ-IRXDYDNUSA-N 1 2 441.492 -0.482 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCNC(=O)c1cccnc1 ZINC001176893291 1074154354 /nfs/dbraw/zinc/15/43/54/1074154354.db2.gz BNMVTTPCNZEIGZ-IRXDYDNUSA-N 1 2 441.492 -0.482 20 0 IBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)n1 ZINC001176973847 1074154925 /nfs/dbraw/zinc/15/49/25/1074154925.db2.gz PBBJJBVLNKBUAS-DVIICDOJSA-N 1 2 430.465 -0.885 20 0 IBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)n1 ZINC001176973848 1074155010 /nfs/dbraw/zinc/15/50/10/1074155010.db2.gz PBBJJBVLNKBUAS-FICBZKSTSA-N 1 2 430.465 -0.885 20 0 IBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176974738 1074154855 /nfs/dbraw/zinc/15/48/55/1074154855.db2.gz CBCBPHSRYPDUNA-AVRDEDQJSA-N 1 2 446.552 -0.147 20 0 IBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176974739 1074155027 /nfs/dbraw/zinc/15/50/27/1074155027.db2.gz CBCBPHSRYPDUNA-GCJKJVERSA-N 1 2 446.552 -0.147 20 0 IBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176974740 1074154887 /nfs/dbraw/zinc/15/48/87/1074154887.db2.gz CBCBPHSRYPDUNA-PGRDOPGGSA-N 1 2 446.552 -0.147 20 0 IBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176974741 1074154938 /nfs/dbraw/zinc/15/49/38/1074154938.db2.gz CBCBPHSRYPDUNA-XMSQKQJNSA-N 1 2 446.552 -0.147 20 0 IBADLO O=C(CN1CCN(c2ncccn2)CC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001176979343 1074155467 /nfs/dbraw/zinc/15/54/67/1074155467.db2.gz FQIBRIUAMKCMDV-UHFFFAOYSA-N 1 2 449.519 -0.167 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cc(Br)cn1 ZINC001176995766 1074155976 /nfs/dbraw/zinc/15/59/76/1074155976.db2.gz CFOQPHBHUHEOPJ-STQMWFEESA-N 1 2 438.286 -0.428 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cc(Br)cn1 ZINC001176995766 1074155967 /nfs/dbraw/zinc/15/59/67/1074155967.db2.gz CFOQPHBHUHEOPJ-STQMWFEESA-N 1 2 438.286 -0.428 20 0 IBADLO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C2 ZINC001177085033 1074156726 /nfs/dbraw/zinc/15/67/26/1074156726.db2.gz RHVASRRXDMNZAX-FOIQADDNSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C2 ZINC001177085033 1074156724 /nfs/dbraw/zinc/15/67/24/1074156724.db2.gz RHVASRRXDMNZAX-FOIQADDNSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C2 ZINC001177085034 1074156631 /nfs/dbraw/zinc/15/66/31/1074156631.db2.gz RHVASRRXDMNZAX-MGPUTAFESA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C2 ZINC001177085034 1074156627 /nfs/dbraw/zinc/15/66/27/1074156627.db2.gz RHVASRRXDMNZAX-MGPUTAFESA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C2 ZINC001177085035 1074156735 /nfs/dbraw/zinc/15/67/35/1074156735.db2.gz RHVASRRXDMNZAX-QRWLVFNGSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C2 ZINC001177085035 1074156734 /nfs/dbraw/zinc/15/67/34/1074156734.db2.gz RHVASRRXDMNZAX-QRWLVFNGSA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C2 ZINC001177085036 1074156690 /nfs/dbraw/zinc/15/66/90/1074156690.db2.gz RHVASRRXDMNZAX-YWZLYKJASA-N 1 2 434.497 -0.205 20 0 IBADLO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C2 ZINC001177085036 1074156688 /nfs/dbraw/zinc/15/66/88/1074156688.db2.gz RHVASRRXDMNZAX-YWZLYKJASA-N 1 2 434.497 -0.205 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(c2ncccn2)CC1 ZINC001177134137 1074157228 /nfs/dbraw/zinc/15/72/28/1074157228.db2.gz AYSIDZWJKFFLMD-IRXDYDNUSA-N 1 2 440.508 -0.380 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(c2ncccn2)CC1 ZINC001177134137 1074157224 /nfs/dbraw/zinc/15/72/24/1074157224.db2.gz AYSIDZWJKFFLMD-IRXDYDNUSA-N 1 2 440.508 -0.380 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]2NCN[C@@H]21 ZINC001177140943 1074157119 /nfs/dbraw/zinc/15/71/19/1074157119.db2.gz RRETUBKKAHAURZ-GUDVDZBRSA-N 1 2 432.506 -0.793 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]2NCN[C@H]21 ZINC001177140944 1074157199 /nfs/dbraw/zinc/15/71/99/1074157199.db2.gz RRETUBKKAHAURZ-IPMKNSEASA-N 1 2 432.506 -0.793 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]2NCN[C@H]21 ZINC001177140945 1074157245 /nfs/dbraw/zinc/15/72/45/1074157245.db2.gz RRETUBKKAHAURZ-OTWHNJEPSA-N 1 2 432.506 -0.793 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)CCC(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]2NCN[C@@H]21 ZINC001177140946 1074157022 /nfs/dbraw/zinc/15/70/22/1074157022.db2.gz RRETUBKKAHAURZ-QRVBRYPASA-N 1 2 432.506 -0.793 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177338856 1074160068 /nfs/dbraw/zinc/16/00/68/1074160068.db2.gz WYCAGUFLPYGMIF-UBHSHLNASA-N 1 2 445.505 -0.577 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177338856 1074160065 /nfs/dbraw/zinc/16/00/65/1074160065.db2.gz WYCAGUFLPYGMIF-UBHSHLNASA-N 1 2 445.505 -0.577 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177338876 1074160119 /nfs/dbraw/zinc/16/01/19/1074160119.db2.gz WYCAGUFLPYGMIF-XBFCOCLRSA-N 1 2 445.505 -0.577 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177338876 1074160115 /nfs/dbraw/zinc/16/01/15/1074160115.db2.gz WYCAGUFLPYGMIF-XBFCOCLRSA-N 1 2 445.505 -0.577 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(C)c1cccc[nH+]1)C(=O)NCC(N)=O ZINC001177409984 1074162854 /nfs/dbraw/zinc/16/28/54/1074162854.db2.gz DKVMYLYQBKLHJM-HOTGVXAUSA-N 1 2 432.525 -0.359 20 0 IBADLO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1cccc[nH+]1 ZINC001177410054 1074162786 /nfs/dbraw/zinc/16/27/86/1074162786.db2.gz FBRSRSNFIVHQMX-BRWVUGGUSA-N 1 2 436.534 -0.362 20 0 IBADLO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1cccc[nH+]1 ZINC001177410056 1074162929 /nfs/dbraw/zinc/16/29/29/1074162929.db2.gz FBRSRSNFIVHQMX-GVDBMIGSSA-N 1 2 436.534 -0.362 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCC(=O)Nc1nncs1)CC2 ZINC001177445014 1074163087 /nfs/dbraw/zinc/16/30/87/1074163087.db2.gz XUWLUMNHZXBCPL-UHFFFAOYSA-N 1 2 446.537 -0.037 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)Nc1nncs1 ZINC001177453189 1074162903 /nfs/dbraw/zinc/16/29/03/1074162903.db2.gz KPNIBUKYHMVKOF-RYUDHWBXSA-N 1 2 434.482 -0.816 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)Nc1nncs1 ZINC001177453189 1074162895 /nfs/dbraw/zinc/16/28/95/1074162895.db2.gz KPNIBUKYHMVKOF-RYUDHWBXSA-N 1 2 434.482 -0.816 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001177735288 1074166071 /nfs/dbraw/zinc/16/60/71/1074166071.db2.gz CDRCVZRHUWCLII-AWEZNQCLSA-N 1 2 428.559 -0.674 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001177735288 1074166066 /nfs/dbraw/zinc/16/60/66/1074166066.db2.gz CDRCVZRHUWCLII-AWEZNQCLSA-N 1 2 428.559 -0.674 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001177735289 1074166032 /nfs/dbraw/zinc/16/60/32/1074166032.db2.gz CDRCVZRHUWCLII-CQSZACIVSA-N 1 2 428.559 -0.674 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001177735289 1074166027 /nfs/dbraw/zinc/16/60/27/1074166027.db2.gz CDRCVZRHUWCLII-CQSZACIVSA-N 1 2 428.559 -0.674 20 0 IBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)ccc21 ZINC001177735554 1074165989 /nfs/dbraw/zinc/16/59/89/1074165989.db2.gz OAPMVJNHTGBVPR-UHFFFAOYSA-N 1 2 429.521 -0.052 20 0 IBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)ccc21 ZINC001177735554 1074165986 /nfs/dbraw/zinc/16/59/86/1074165986.db2.gz OAPMVJNHTGBVPR-UHFFFAOYSA-N 1 2 429.521 -0.052 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC001177735961 1074166204 /nfs/dbraw/zinc/16/62/04/1074166204.db2.gz ZNFJOSGPKJRZFM-UHFFFAOYSA-N 1 2 441.554 -0.718 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC001177735961 1074166197 /nfs/dbraw/zinc/16/61/97/1074166197.db2.gz ZNFJOSGPKJRZFM-UHFFFAOYSA-N 1 2 441.554 -0.718 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001177740270 1074166729 /nfs/dbraw/zinc/16/67/29/1074166729.db2.gz GCMWVIBBIXXUNK-HNNXBMFYSA-N 1 2 425.530 -0.313 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001177740270 1074166725 /nfs/dbraw/zinc/16/67/25/1074166725.db2.gz GCMWVIBBIXXUNK-HNNXBMFYSA-N 1 2 425.530 -0.313 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001177740271 1074166789 /nfs/dbraw/zinc/16/67/89/1074166789.db2.gz GCMWVIBBIXXUNK-OAHLLOKOSA-N 1 2 425.530 -0.313 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001177740271 1074166783 /nfs/dbraw/zinc/16/67/83/1074166783.db2.gz GCMWVIBBIXXUNK-OAHLLOKOSA-N 1 2 425.530 -0.313 20 0 IBADLO C[C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)n1cc[nH+]c1 ZINC001177922975 1074168295 /nfs/dbraw/zinc/16/82/95/1074168295.db2.gz SLVPHHBTKNANAZ-VNQPRFMTSA-N 1 2 432.506 -0.006 20 0 IBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001177928816 1074168251 /nfs/dbraw/zinc/16/82/51/1074168251.db2.gz CFYXGFXSTPGPCD-ILXRZTDVSA-N 1 2 440.570 -0.186 20 0 IBADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001177993366 1074168825 /nfs/dbraw/zinc/16/88/25/1074168825.db2.gz KBKHJANQZFMLRW-LSDHHAIUSA-N 1 2 432.506 -0.108 20 0 IBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001178000264 1074168926 /nfs/dbraw/zinc/16/89/26/1074168926.db2.gz GIOPFYIPRHBCCU-KBPBESRZSA-N 1 2 440.570 -0.287 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cc1csc(NC=O)n1)CC2 ZINC001178031964 1074169296 /nfs/dbraw/zinc/16/92/96/1074169296.db2.gz YHPRXPXHNOHZJN-UHFFFAOYSA-N 1 2 431.522 -0.040 20 0 IBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001178104072 1074169260 /nfs/dbraw/zinc/16/92/60/1074169260.db2.gz YRJVILVSOSCCBU-MWDXBVQZSA-N 1 2 436.534 -0.434 20 0 IBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001178104073 1074169376 /nfs/dbraw/zinc/16/93/76/1074169376.db2.gz YRJVILVSOSCCBU-QBPKDAKJSA-N 1 2 436.534 -0.434 20 0 IBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001178104074 1074169311 /nfs/dbraw/zinc/16/93/11/1074169311.db2.gz YRJVILVSOSCCBU-YLFCFFPRSA-N 1 2 436.534 -0.434 20 0 IBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001178104075 1074169408 /nfs/dbraw/zinc/16/94/08/1074169408.db2.gz YRJVILVSOSCCBU-YYIAUSFCSA-N 1 2 436.534 -0.434 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)NCC(N)=O ZINC001178104867 1074169249 /nfs/dbraw/zinc/16/92/49/1074169249.db2.gz GBDSUNNFOIFCLU-JYJNAYRXSA-N 1 2 432.525 -0.431 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)NCC(N)=O ZINC001178104868 1074169953 /nfs/dbraw/zinc/16/99/53/1074169953.db2.gz GBDSUNNFOIFCLU-PMPSAXMXSA-N 1 2 432.525 -0.431 20 0 IBADLO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117919 1074169946 /nfs/dbraw/zinc/16/99/46/1074169946.db2.gz LBSPBZRDSAWHBI-AMSKTCKZSA-N 1 2 435.502 -0.024 20 0 IBADLO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117920 1074169950 /nfs/dbraw/zinc/16/99/50/1074169950.db2.gz LBSPBZRDSAWHBI-DBOSXMRBSA-N 1 2 435.502 -0.024 20 0 IBADLO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117921 1074169988 /nfs/dbraw/zinc/16/99/88/1074169988.db2.gz LBSPBZRDSAWHBI-FQFGYDHGSA-N 1 2 435.502 -0.024 20 0 IBADLO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117922 1074169940 /nfs/dbraw/zinc/16/99/40/1074169940.db2.gz LBSPBZRDSAWHBI-QSZXBSEZSA-N 1 2 435.502 -0.024 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN(c2ccncn2)C1 ZINC001178135486 1074170586 /nfs/dbraw/zinc/17/05/86/1074170586.db2.gz FIGHIQGBAXAGGM-PVAVHDDUSA-N 1 2 440.508 -0.380 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN(c2ccncn2)C1 ZINC001178135486 1074170575 /nfs/dbraw/zinc/17/05/75/1074170575.db2.gz FIGHIQGBAXAGGM-PVAVHDDUSA-N 1 2 440.508 -0.380 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN(c2ccncn2)C1 ZINC001178135487 1074170606 /nfs/dbraw/zinc/17/06/06/1074170606.db2.gz FIGHIQGBAXAGGM-XIRDDKMYSA-N 1 2 440.508 -0.380 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN(c2ccncn2)C1 ZINC001178135487 1074170602 /nfs/dbraw/zinc/17/06/02/1074170602.db2.gz FIGHIQGBAXAGGM-XIRDDKMYSA-N 1 2 440.508 -0.380 20 0 IBADLO CS(=O)(=O)N1CCC(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001178763513 1074177142 /nfs/dbraw/zinc/17/71/42/1074177142.db2.gz CJBCECQQALXHTK-UHFFFAOYSA-N 1 2 434.522 -0.108 20 0 IBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178763787 1074177166 /nfs/dbraw/zinc/17/71/66/1074177166.db2.gz FVRHURGBTOEWMV-APWZRJJASA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178763788 1074177710 /nfs/dbraw/zinc/17/77/10/1074177710.db2.gz FVRHURGBTOEWMV-LPHOPBHVSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178763789 1074177748 /nfs/dbraw/zinc/17/77/48/1074177748.db2.gz FVRHURGBTOEWMV-QFBILLFUSA-N 1 2 431.555 -0.087 20 0 IBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178763790 1074177675 /nfs/dbraw/zinc/17/76/75/1074177675.db2.gz FVRHURGBTOEWMV-VQIMIIECSA-N 1 2 431.555 -0.087 20 0 IBADLO Cn1c2ccccc2n(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001178796782 1074178646 /nfs/dbraw/zinc/17/86/46/1074178646.db2.gz ICWNOYMXFMMJJL-YOEHRIQHSA-N 1 2 439.476 -0.733 20 0 IBADLO Cn1c2ccccc2n(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001178796782 1074178643 /nfs/dbraw/zinc/17/86/43/1074178643.db2.gz ICWNOYMXFMMJJL-YOEHRIQHSA-N 1 2 439.476 -0.733 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1Cc2ccccc2C1=O ZINC001178834400 1074178614 /nfs/dbraw/zinc/17/86/14/1074178614.db2.gz KSQZBSYYTPSZNM-ROUUACIJSA-N 1 2 438.488 -0.041 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1Cc2ccccc2C1=O ZINC001178834400 1074178607 /nfs/dbraw/zinc/17/86/07/1074178607.db2.gz KSQZBSYYTPSZNM-ROUUACIJSA-N 1 2 438.488 -0.041 20 0 IBADLO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178988200 1074180686 /nfs/dbraw/zinc/18/06/86/1074180686.db2.gz QCHSAUXYGSHJAL-HNNXBMFYSA-N 1 2 427.465 -0.198 20 0 IBADLO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178988200 1074180684 /nfs/dbraw/zinc/18/06/84/1074180684.db2.gz QCHSAUXYGSHJAL-HNNXBMFYSA-N 1 2 427.465 -0.198 20 0 IBADLO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178988201 1074180660 /nfs/dbraw/zinc/18/06/60/1074180660.db2.gz QCHSAUXYGSHJAL-OAHLLOKOSA-N 1 2 427.465 -0.198 20 0 IBADLO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178988201 1074180652 /nfs/dbraw/zinc/18/06/52/1074180652.db2.gz QCHSAUXYGSHJAL-OAHLLOKOSA-N 1 2 427.465 -0.198 20 0 IBADLO CC(=O)N1CCN(CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001179031163 1074182135 /nfs/dbraw/zinc/18/21/35/1074182135.db2.gz QVOXSLUWAIOOHJ-IBGZPJMESA-N 1 2 448.568 -0.641 20 0 IBADLO CC(=O)N1CCN(CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001179031164 1074182118 /nfs/dbraw/zinc/18/21/18/1074182118.db2.gz QVOXSLUWAIOOHJ-LJQANCHMSA-N 1 2 448.568 -0.641 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179225108 1074184880 /nfs/dbraw/zinc/18/48/80/1074184880.db2.gz UIWVUYMKABOIGF-DZGCQCFKSA-N 1 2 435.481 -0.254 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179225109 1074184949 /nfs/dbraw/zinc/18/49/49/1074184949.db2.gz UIWVUYMKABOIGF-HIFRSBDPSA-N 1 2 435.481 -0.254 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179225110 1074184837 /nfs/dbraw/zinc/18/48/37/1074184837.db2.gz UIWVUYMKABOIGF-UKRRQHHQSA-N 1 2 435.481 -0.254 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179225111 1074185655 /nfs/dbraw/zinc/18/56/55/1074185655.db2.gz UIWVUYMKABOIGF-ZFWWWQNUSA-N 1 2 435.481 -0.254 20 0 IBADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001179323795 1074187316 /nfs/dbraw/zinc/18/73/16/1074187316.db2.gz LIRYJFIIRAAOEY-BRWVUGGUSA-N 1 2 440.541 -0.082 20 0 IBADLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001179323797 1074187182 /nfs/dbraw/zinc/18/71/82/1074187182.db2.gz LIRYJFIIRAAOEY-GVDBMIGSSA-N 1 2 440.541 -0.082 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)CCS2(=O)=O ZINC001179363998 1074188364 /nfs/dbraw/zinc/18/83/64/1074188364.db2.gz SZEAFHRPWSLWQZ-KGLIPLIRSA-N 1 2 428.511 -0.147 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)CCS2(=O)=O ZINC001179363998 1074188362 /nfs/dbraw/zinc/18/83/62/1074188362.db2.gz SZEAFHRPWSLWQZ-KGLIPLIRSA-N 1 2 428.511 -0.147 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)CCS2(=O)=O ZINC001179364004 1074188305 /nfs/dbraw/zinc/18/83/05/1074188305.db2.gz SZEAFHRPWSLWQZ-ZIAGYGMSSA-N 1 2 428.511 -0.147 20 0 IBADLO CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)CCS2(=O)=O ZINC001179364004 1074188303 /nfs/dbraw/zinc/18/83/03/1074188303.db2.gz SZEAFHRPWSLWQZ-ZIAGYGMSSA-N 1 2 428.511 -0.147 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001179434250 1074188911 /nfs/dbraw/zinc/18/89/11/1074188911.db2.gz WFWWYYILMQVSDF-SLSYIWNYSA-N 1 2 436.472 -0.177 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001179434250 1074188903 /nfs/dbraw/zinc/18/89/03/1074188903.db2.gz WFWWYYILMQVSDF-SLSYIWNYSA-N 1 2 436.472 -0.177 20 0 IBADLO O=C(CCO)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001179574414 1074191017 /nfs/dbraw/zinc/19/10/17/1074191017.db2.gz NZYMQEIKCSEERX-HOTGVXAUSA-N 1 2 438.479 -0.182 20 0 IBADLO CS(=O)(=O)c1cccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001180008401 1074193398 /nfs/dbraw/zinc/19/33/98/1074193398.db2.gz IOOYOBVFRPATPB-IRXDYDNUSA-N 1 2 447.517 -0.441 20 0 IBADLO CS(=O)(=O)c1cccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001180008401 1074193395 /nfs/dbraw/zinc/19/33/95/1074193395.db2.gz IOOYOBVFRPATPB-IRXDYDNUSA-N 1 2 447.517 -0.441 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1c2ccccc2C(=O)C1=O ZINC001180054175 1074193984 /nfs/dbraw/zinc/19/39/84/1074193984.db2.gz RJBZPEVHHISWTO-HOCLYGCPSA-N 1 2 438.444 -0.857 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1c2ccccc2C(=O)C1=O ZINC001180054175 1074193983 /nfs/dbraw/zinc/19/39/83/1074193983.db2.gz RJBZPEVHHISWTO-HOCLYGCPSA-N 1 2 438.444 -0.857 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC001180202674 1074194594 /nfs/dbraw/zinc/19/45/94/1074194594.db2.gz UUTBVLBPHJUXFO-IRXDYDNUSA-N 1 2 437.460 -0.195 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC001180202674 1074194589 /nfs/dbraw/zinc/19/45/89/1074194589.db2.gz UUTBVLBPHJUXFO-IRXDYDNUSA-N 1 2 437.460 -0.195 20 0 IBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180264435 1074195732 /nfs/dbraw/zinc/19/57/32/1074195732.db2.gz SEWNGDFRPBPYCA-HRAATJIYSA-N 1 2 438.525 -0.630 20 0 IBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180264437 1074195631 /nfs/dbraw/zinc/19/56/31/1074195631.db2.gz SEWNGDFRPBPYCA-IERDGZPVSA-N 1 2 438.525 -0.630 20 0 IBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180264439 1074195679 /nfs/dbraw/zinc/19/56/79/1074195679.db2.gz SEWNGDFRPBPYCA-IIBYNOLFSA-N 1 2 438.525 -0.630 20 0 IBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180264440 1074195664 /nfs/dbraw/zinc/19/56/64/1074195664.db2.gz SEWNGDFRPBPYCA-KKSFZXQISA-N 1 2 438.525 -0.630 20 0 IBADLO O=C(CCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)N1CCNC(=O)CC1 ZINC001180265192 1074196174 /nfs/dbraw/zinc/19/61/74/1074196174.db2.gz ZUHCCVKKWPAWJW-UHFFFAOYSA-N 1 2 441.492 -0.651 20 0 IBADLO NS(=O)(=O)c1ccc(CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001180329978 1074197529 /nfs/dbraw/zinc/19/75/29/1074197529.db2.gz NPGRURGHRPAJSV-KRWDZBQOSA-N 1 2 438.550 -0.437 20 0 IBADLO NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001180329990 1074197613 /nfs/dbraw/zinc/19/76/13/1074197613.db2.gz NPGRURGHRPAJSV-QGZVFWFLSA-N 1 2 438.550 -0.437 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC001180492518 1074200168 /nfs/dbraw/zinc/20/01/68/1074200168.db2.gz BVEQXJMJROUIII-GOSISDBHSA-N 1 2 449.552 -0.166 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC001180492519 1074200130 /nfs/dbraw/zinc/20/01/30/1074200130.db2.gz BVEQXJMJROUIII-SFHVURJKSA-N 1 2 449.552 -0.166 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCC(=O)N1CCOCC1)CC2 ZINC001180494169 1074200611 /nfs/dbraw/zinc/20/06/11/1074200611.db2.gz KWZJXUDXGHBOMJ-UHFFFAOYSA-N 1 2 432.525 -0.669 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001180593532 1074201927 /nfs/dbraw/zinc/20/19/27/1074201927.db2.gz RIKYYZSZFHFGDK-UHFFFAOYSA-N 1 2 434.562 -0.290 20 0 IBADLO O=C(CN1CCS(=O)(=O)CC1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001180593532 1074201923 /nfs/dbraw/zinc/20/19/23/1074201923.db2.gz RIKYYZSZFHFGDK-UHFFFAOYSA-N 1 2 434.562 -0.290 20 0 IBADLO COc1ccc(C(=O)NCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180809698 1074205671 /nfs/dbraw/zinc/20/56/71/1074205671.db2.gz IQMBRQXUHZPTPJ-IRXDYDNUSA-N 1 2 442.476 -0.648 20 0 IBADLO COc1ccc(C(=O)NCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180809698 1074205666 /nfs/dbraw/zinc/20/56/66/1074205666.db2.gz IQMBRQXUHZPTPJ-IRXDYDNUSA-N 1 2 442.476 -0.648 20 0 IBADLO CCOC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180831767 1074205478 /nfs/dbraw/zinc/20/54/78/1074205478.db2.gz SHCBCKSMAANOQX-HOTGVXAUSA-N 1 2 434.497 -0.218 20 0 IBADLO CCOC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180831767 1074205467 /nfs/dbraw/zinc/20/54/67/1074205467.db2.gz SHCBCKSMAANOQX-HOTGVXAUSA-N 1 2 434.497 -0.218 20 0 IBADLO CC(C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180847934 1074206114 /nfs/dbraw/zinc/20/61/14/1074206114.db2.gz OCOJYXKAYKMISQ-IRXDYDNUSA-N 1 2 432.525 -0.192 20 0 IBADLO CC(C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180847934 1074206109 /nfs/dbraw/zinc/20/61/09/1074206109.db2.gz OCOJYXKAYKMISQ-IRXDYDNUSA-N 1 2 432.525 -0.192 20 0 IBADLO COCCN1C[C@@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC1=O ZINC001180891324 1074206062 /nfs/dbraw/zinc/20/60/62/1074206062.db2.gz HLDNDIFZLYMPJU-HNNXBMFYSA-N 1 2 432.525 -0.813 20 0 IBADLO COCCN1C[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC1=O ZINC001180891327 1074206184 /nfs/dbraw/zinc/20/61/84/1074206184.db2.gz HLDNDIFZLYMPJU-OAHLLOKOSA-N 1 2 432.525 -0.813 20 0 IBADLO COCCN1C[C@H](C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CC1=O ZINC001180891951 1074206155 /nfs/dbraw/zinc/20/61/55/1074206155.db2.gz KDSUNPVYQBYMEK-MSOLQXFVSA-N 1 2 449.552 -0.310 20 0 IBADLO COCCN1C[C@H](C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CC1=O ZINC001180891977 1074206163 /nfs/dbraw/zinc/20/61/63/1074206163.db2.gz KDSUNPVYQBYMEK-QZTJIDSGSA-N 1 2 449.552 -0.310 20 0 IBADLO COCCN1C[C@@H](C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CC1=O ZINC001180891980 1074206129 /nfs/dbraw/zinc/20/61/29/1074206129.db2.gz KDSUNPVYQBYMEK-ROUUACIJSA-N 1 2 449.552 -0.310 20 0 IBADLO COCCN1C[C@@H](C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CC1=O ZINC001180891984 1074206085 /nfs/dbraw/zinc/20/60/85/1074206085.db2.gz KDSUNPVYQBYMEK-ZWKOTPCHSA-N 1 2 449.552 -0.310 20 0 IBADLO COC(=O)C1CC2(CC(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)C2)C1 ZINC001181065621 1074208485 /nfs/dbraw/zinc/20/84/85/1074208485.db2.gz XXQMPLWAWTUQKY-DCCVJLAWSA-N 1 2 431.493 -0.107 20 0 IBADLO COC(=O)C1CC2(CC(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)C2)C1 ZINC001181065621 1074208478 /nfs/dbraw/zinc/20/84/78/1074208478.db2.gz XXQMPLWAWTUQKY-DCCVJLAWSA-N 1 2 431.493 -0.107 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C2 ZINC001181130965 1074209478 /nfs/dbraw/zinc/20/94/78/1074209478.db2.gz AMBVKQXZBBWPOK-CABCVRRESA-N 1 2 434.497 -0.865 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C2 ZINC001181130966 1074209378 /nfs/dbraw/zinc/20/93/78/1074209378.db2.gz AMBVKQXZBBWPOK-GJZGRUSLSA-N 1 2 434.497 -0.865 20 0 IBADLO COC(=O)c1ccccc1CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181230502 1074210877 /nfs/dbraw/zinc/21/08/77/1074210877.db2.gz RQCJHVLOVHJSHV-IRXDYDNUSA-N 1 2 427.461 -0.057 20 0 IBADLO COC(=O)c1ccccc1CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181230502 1074210873 /nfs/dbraw/zinc/21/08/73/1074210873.db2.gz RQCJHVLOVHJSHV-IRXDYDNUSA-N 1 2 427.461 -0.057 20 0 IBADLO CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001181231468 1074210947 /nfs/dbraw/zinc/21/09/47/1074210947.db2.gz WOULYYNSOMNRMF-BZSNNMDCSA-N 1 2 426.477 -0.209 20 0 IBADLO CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001181231468 1074210946 /nfs/dbraw/zinc/21/09/46/1074210946.db2.gz WOULYYNSOMNRMF-BZSNNMDCSA-N 1 2 426.477 -0.209 20 0 IBADLO CC(=O)N[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001181231469 1074210907 /nfs/dbraw/zinc/21/09/07/1074210907.db2.gz WOULYYNSOMNRMF-OKZBNKHCSA-N 1 2 426.477 -0.209 20 0 IBADLO CC(=O)N[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001181231469 1074210905 /nfs/dbraw/zinc/21/09/05/1074210905.db2.gz WOULYYNSOMNRMF-OKZBNKHCSA-N 1 2 426.477 -0.209 20 0 IBADLO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2cc[nH+]c(N)c2)CC3)C1=O ZINC001181249071 1074210832 /nfs/dbraw/zinc/21/08/32/1074210832.db2.gz UDJBTLAIHVGOBK-FQEVSTJZSA-N 1 2 435.550 -0.061 20 0 IBADLO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2cc[nH+]c(N)c2)CC3)C1=O ZINC001181249072 1074210938 /nfs/dbraw/zinc/21/09/38/1074210938.db2.gz UDJBTLAIHVGOBK-HXUWFJFHSA-N 1 2 435.550 -0.061 20 0 IBADLO Nc1cc(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc[nH+]1 ZINC001181249455 1074210952 /nfs/dbraw/zinc/21/09/52/1074210952.db2.gz ZUNODCBJDMEWOA-JKSUJKDBSA-N 1 2 444.517 -0.244 20 0 IBADLO CC(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181345141 1074212071 /nfs/dbraw/zinc/21/20/71/1074212071.db2.gz ZGZBTOCLLZJGEE-AVGNSLFASA-N 1 2 432.403 -0.630 20 0 IBADLO CC(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181345141 1074212067 /nfs/dbraw/zinc/21/20/67/1074212067.db2.gz ZGZBTOCLLZJGEE-AVGNSLFASA-N 1 2 432.403 -0.630 20 0 IBADLO CC(=O)N[C@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181345142 1074212207 /nfs/dbraw/zinc/21/22/07/1074212207.db2.gz ZGZBTOCLLZJGEE-XQQFMLRXSA-N 1 2 432.403 -0.630 20 0 IBADLO CC(=O)N[C@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181345142 1074212203 /nfs/dbraw/zinc/21/22/03/1074212203.db2.gz ZGZBTOCLLZJGEE-XQQFMLRXSA-N 1 2 432.403 -0.630 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CC1CCS(=O)(=O)CC1)CC2 ZINC001181539558 1074214221 /nfs/dbraw/zinc/21/42/21/1074214221.db2.gz CYUJGAWOKOIYPJ-UHFFFAOYSA-N 1 2 437.566 -0.093 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC1CCS(=O)(=O)CC1 ZINC001181544537 1074213911 /nfs/dbraw/zinc/21/39/11/1074213911.db2.gz XVFIADHNDNHZRJ-GJZGRUSLSA-N 1 2 425.511 -0.872 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1CCS(=O)(=O)CC1 ZINC001181544537 1074213907 /nfs/dbraw/zinc/21/39/07/1074213907.db2.gz XVFIADHNDNHZRJ-GJZGRUSLSA-N 1 2 425.511 -0.872 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cn1nc(Cl)ccc1=O)CC2 ZINC001181891407 1074216755 /nfs/dbraw/zinc/21/67/55/1074216755.db2.gz NPVQFSMTFORGLK-UHFFFAOYSA-N 1 2 433.900 -0.397 20 0 IBADLO CN1C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)Oc2ccccc21 ZINC001181972758 1074217603 /nfs/dbraw/zinc/21/76/03/1074217603.db2.gz JHOIUKNLFURILV-QILLFSRXSA-N 1 2 426.477 -0.189 20 0 IBADLO CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)Oc2ccccc21 ZINC001181972758 1074217594 /nfs/dbraw/zinc/21/75/94/1074217594.db2.gz JHOIUKNLFURILV-QILLFSRXSA-N 1 2 426.477 -0.189 20 0 IBADLO CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)Oc2ccccc21 ZINC001181972762 1074217573 /nfs/dbraw/zinc/21/75/73/1074217573.db2.gz JHOIUKNLFURILV-ZVZYQTTQSA-N 1 2 426.477 -0.189 20 0 IBADLO CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)Oc2ccccc21 ZINC001181972762 1074217567 /nfs/dbraw/zinc/21/75/67/1074217567.db2.gz JHOIUKNLFURILV-ZVZYQTTQSA-N 1 2 426.477 -0.189 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CC1CC(=O)NC(=O)C1)C2 ZINC001182161951 1074220753 /nfs/dbraw/zinc/22/07/53/1074220753.db2.gz WQWPLGWYTNKKKX-INIZCTEOSA-N 1 2 433.509 -0.362 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CC1CC(=O)NC(=O)C1)C2 ZINC001182161952 1074220719 /nfs/dbraw/zinc/22/07/19/1074220719.db2.gz WQWPLGWYTNKKKX-MRXNPFEDSA-N 1 2 433.509 -0.362 20 0 IBADLO CC(=O)O[C@H]1CO[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)S1 ZINC001182206945 1074221642 /nfs/dbraw/zinc/22/16/42/1074221642.db2.gz XIUBGENLCHQKGS-BEFAXECRSA-N 1 2 437.522 -0.329 20 0 IBADLO COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)O2 ZINC001182358152 1074225385 /nfs/dbraw/zinc/22/53/85/1074225385.db2.gz YUPASHMSKOGQSV-BQFCYCMXSA-N 1 2 427.461 -0.074 20 0 IBADLO COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)O2 ZINC001182358152 1074225377 /nfs/dbraw/zinc/22/53/77/1074225377.db2.gz YUPASHMSKOGQSV-BQFCYCMXSA-N 1 2 427.461 -0.074 20 0 IBADLO COc1ccc2c(c1)C[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)O2 ZINC001182358153 1074225549 /nfs/dbraw/zinc/22/55/49/1074225549.db2.gz YUPASHMSKOGQSV-XYJFISCASA-N 1 2 427.461 -0.074 20 0 IBADLO COc1ccc2c(c1)C[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)O2 ZINC001182358153 1074225543 /nfs/dbraw/zinc/22/55/43/1074225543.db2.gz YUPASHMSKOGQSV-XYJFISCASA-N 1 2 427.461 -0.074 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182456898 1074228910 /nfs/dbraw/zinc/22/89/10/1074228910.db2.gz XKOVXKZBTIDICA-INIZCTEOSA-N 1 2 428.537 -0.049 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182456910 1074228893 /nfs/dbraw/zinc/22/88/93/1074228893.db2.gz XKOVXKZBTIDICA-MRXNPFEDSA-N 1 2 428.537 -0.049 20 0 IBADLO [NH3+]CCN(CCNC(=O)COc1ccc(C[C@H]2SC(=O)NC2=O)cc1)N(O)N=O ZINC001182551410 1074231715 /nfs/dbraw/zinc/23/17/15/1074231715.db2.gz INGTUTFYOFGNFU-CYBMUJFWSA-N 1 2 426.455 -0.376 20 0 IBADLO [NH3+]CCN(CCNC(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)N(O)N=O ZINC001182551411 1074231677 /nfs/dbraw/zinc/23/16/77/1074231677.db2.gz INGTUTFYOFGNFU-ZDUSSCGKSA-N 1 2 426.455 -0.376 20 0 IBADLO O=C([C@@H]1CCC[N@H+]1CC1CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001182556074 1074231935 /nfs/dbraw/zinc/23/19/35/1074231935.db2.gz FQTHLWBJGVCRBW-AKHDSKFASA-N 1 2 439.578 -0.019 20 0 IBADLO O=C([C@@H]1CCC[N@@H+]1CC1CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001182556074 1074231925 /nfs/dbraw/zinc/23/19/25/1074231925.db2.gz FQTHLWBJGVCRBW-AKHDSKFASA-N 1 2 439.578 -0.019 20 0 IBADLO O=C([C@@H]1CCC[N@H+]1CC1CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001182556077 1074231775 /nfs/dbraw/zinc/23/17/75/1074231775.db2.gz FQTHLWBJGVCRBW-ZSYWTGECSA-N 1 2 439.578 -0.019 20 0 IBADLO O=C([C@@H]1CCC[N@@H+]1CC1CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001182556077 1074231767 /nfs/dbraw/zinc/23/17/67/1074231767.db2.gz FQTHLWBJGVCRBW-ZSYWTGECSA-N 1 2 439.578 -0.019 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)c1ccc2c(c1)CCO2 ZINC001182663743 1074233115 /nfs/dbraw/zinc/23/31/15/1074233115.db2.gz GKPJINUYEICPKI-BQFCYCMXSA-N 1 2 427.461 -0.418 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)c1ccc2c(c1)CCO2 ZINC001182663743 1074233113 /nfs/dbraw/zinc/23/31/13/1074233113.db2.gz GKPJINUYEICPKI-BQFCYCMXSA-N 1 2 427.461 -0.418 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)c1ccc2c(c1)CCO2 ZINC001182663744 1074233077 /nfs/dbraw/zinc/23/30/77/1074233077.db2.gz GKPJINUYEICPKI-XYJFISCASA-N 1 2 427.461 -0.418 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)c1ccc2c(c1)CCO2 ZINC001182663744 1074233075 /nfs/dbraw/zinc/23/30/75/1074233075.db2.gz GKPJINUYEICPKI-XYJFISCASA-N 1 2 427.461 -0.418 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ccc2ccccc2c1=O ZINC001182763863 1074234420 /nfs/dbraw/zinc/23/44/20/1074234420.db2.gz BQHLNMMXRJNLSE-ROUUACIJSA-N 1 2 436.472 -0.072 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ccc2ccccc2c1=O ZINC001182763863 1074234415 /nfs/dbraw/zinc/23/44/15/1074234415.db2.gz BQHLNMMXRJNLSE-ROUUACIJSA-N 1 2 436.472 -0.072 20 0 IBADLO C[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccc(C(N)=O)cc1 ZINC001182790359 1074234821 /nfs/dbraw/zinc/23/48/21/1074234821.db2.gz PSCGYXXOPZNKNU-DQYPLSBCSA-N 1 2 426.477 -0.184 20 0 IBADLO C[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccc(C(N)=O)cc1 ZINC001182790359 1074234819 /nfs/dbraw/zinc/23/48/19/1074234819.db2.gz PSCGYXXOPZNKNU-DQYPLSBCSA-N 1 2 426.477 -0.184 20 0 IBADLO C[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccc(C(N)=O)cc1 ZINC001182790360 1074234756 /nfs/dbraw/zinc/23/47/56/1074234756.db2.gz PSCGYXXOPZNKNU-ZLIFDBKOSA-N 1 2 426.477 -0.184 20 0 IBADLO C[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccc(C(N)=O)cc1 ZINC001182790360 1074234749 /nfs/dbraw/zinc/23/47/49/1074234749.db2.gz PSCGYXXOPZNKNU-ZLIFDBKOSA-N 1 2 426.477 -0.184 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182836079 1074235653 /nfs/dbraw/zinc/23/56/53/1074235653.db2.gz XKCFWCZLOQJQIF-GFCCVEGCSA-N 1 2 444.452 -0.240 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182836080 1074235640 /nfs/dbraw/zinc/23/56/40/1074235640.db2.gz XKCFWCZLOQJQIF-LBPRGKRZSA-N 1 2 444.452 -0.240 20 0 IBADLO CN(CC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001182878345 1074236008 /nfs/dbraw/zinc/23/60/08/1074236008.db2.gz PSFDXRQTUKCBEE-HNNXBMFYSA-N 1 2 429.543 -0.914 20 0 IBADLO CN(CC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001182878346 1074236091 /nfs/dbraw/zinc/23/60/91/1074236091.db2.gz PSFDXRQTUKCBEE-OAHLLOKOSA-N 1 2 429.543 -0.914 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC001182944970 1074236960 /nfs/dbraw/zinc/23/69/60/1074236960.db2.gz KNVJHDVXIXUTLP-RDJZCZTQSA-N 1 2 437.460 -0.677 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC001182944970 1074236954 /nfs/dbraw/zinc/23/69/54/1074236954.db2.gz KNVJHDVXIXUTLP-RDJZCZTQSA-N 1 2 437.460 -0.677 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CNC(=O)c1ccc(O)cc1)CC2 ZINC001182970890 1074237276 /nfs/dbraw/zinc/23/72/76/1074237276.db2.gz CLXDNOTXRKMDRV-UHFFFAOYSA-N 1 2 440.504 -0.172 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1 ZINC001182974235 1074237875 /nfs/dbraw/zinc/23/78/75/1074237875.db2.gz JCOGARFFWLFJCA-HOTGVXAUSA-N 1 2 428.449 -0.951 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(O)cc1 ZINC001182974235 1074237871 /nfs/dbraw/zinc/23/78/71/1074237871.db2.gz JCOGARFFWLFJCA-HOTGVXAUSA-N 1 2 428.449 -0.951 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1CN(S(C)(=O)=O)C1)C2 ZINC001183021614 1074239847 /nfs/dbraw/zinc/23/98/47/1074239847.db2.gz RFNJMDPUFNHUBI-INIZCTEOSA-N 1 2 441.554 -0.914 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1CN(S(C)(=O)=O)C1)C2 ZINC001183021616 1074239822 /nfs/dbraw/zinc/23/98/22/1074239822.db2.gz RFNJMDPUFNHUBI-MRXNPFEDSA-N 1 2 441.554 -0.914 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccccc1Cl ZINC001183065586 1074240361 /nfs/dbraw/zinc/24/03/61/1074240361.db2.gz FXQKZRMGJFLNAI-HOTGVXAUSA-N 1 2 446.895 -0.003 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccccc1Cl ZINC001183065586 1074240360 /nfs/dbraw/zinc/24/03/60/1074240360.db2.gz FXQKZRMGJFLNAI-HOTGVXAUSA-N 1 2 446.895 -0.003 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2)C(=O)C1=O ZINC001183155385 1074242410 /nfs/dbraw/zinc/24/24/10/1074242410.db2.gz TWFBHELXGRZEAO-DLBZAZTESA-N 1 2 431.493 -0.425 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccccc2)C(=O)C1=O ZINC001183155385 1074242403 /nfs/dbraw/zinc/24/24/03/1074242403.db2.gz TWFBHELXGRZEAO-DLBZAZTESA-N 1 2 431.493 -0.425 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2ccccc2)C(=O)C1=O ZINC001183155387 1074242256 /nfs/dbraw/zinc/24/22/56/1074242256.db2.gz TWFBHELXGRZEAO-IAGOWNOFSA-N 1 2 431.493 -0.425 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)c2ccccc2)C(=O)C1=O ZINC001183155387 1074242247 /nfs/dbraw/zinc/24/22/47/1074242247.db2.gz TWFBHELXGRZEAO-IAGOWNOFSA-N 1 2 431.493 -0.425 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)c2ccccc2)C(=O)C1=O ZINC001183156046 1074242950 /nfs/dbraw/zinc/24/29/50/1074242950.db2.gz OPKOOGOQEXPEPK-FUHWJXTLSA-N 1 2 445.520 -0.035 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c2ccccc2)C(=O)C1=O ZINC001183156046 1074242946 /nfs/dbraw/zinc/24/29/46/1074242946.db2.gz OPKOOGOQEXPEPK-FUHWJXTLSA-N 1 2 445.520 -0.035 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)c2ccccc2)C(=O)C1=O ZINC001183156047 1074242785 /nfs/dbraw/zinc/24/27/85/1074242785.db2.gz OPKOOGOQEXPEPK-SJLPKXTDSA-N 1 2 445.520 -0.035 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)c2ccccc2)C(=O)C1=O ZINC001183156047 1074242778 /nfs/dbraw/zinc/24/27/78/1074242778.db2.gz OPKOOGOQEXPEPK-SJLPKXTDSA-N 1 2 445.520 -0.035 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c2ccccc2)C(=O)C1=O ZINC001183156878 1074243193 /nfs/dbraw/zinc/24/31/93/1074243193.db2.gz WQKJBHNJUIRXLO-IAGOWNOFSA-N 1 2 442.476 -0.429 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c2ccccc2)C(=O)C1=O ZINC001183156878 1074243182 /nfs/dbraw/zinc/24/31/82/1074243182.db2.gz WQKJBHNJUIRXLO-IAGOWNOFSA-N 1 2 442.476 -0.429 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183460271 1074245850 /nfs/dbraw/zinc/24/58/50/1074245850.db2.gz QTOFYEICYNMESZ-QXIMGHOESA-N 1 2 425.507 -0.395 20 0 IBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183460271 1074245842 /nfs/dbraw/zinc/24/58/42/1074245842.db2.gz QTOFYEICYNMESZ-QXIMGHOESA-N 1 2 425.507 -0.395 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183460272 1074245896 /nfs/dbraw/zinc/24/58/96/1074245896.db2.gz QTOFYEICYNMESZ-YVHNNKAESA-N 1 2 425.507 -0.395 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183460272 1074245890 /nfs/dbraw/zinc/24/58/90/1074245890.db2.gz QTOFYEICYNMESZ-YVHNNKAESA-N 1 2 425.507 -0.395 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=C[C@@](C)(O)C=C[C@@H]1O)C2 ZINC001183534858 1074247095 /nfs/dbraw/zinc/24/70/95/1074247095.db2.gz DQOXWYNMZVURKH-BPXKWBHBSA-N 1 2 432.521 -0.197 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=C[C@](C)(O)C=C[C@H]1O)C2 ZINC001183534859 1074247227 /nfs/dbraw/zinc/24/72/27/1074247227.db2.gz DQOXWYNMZVURKH-DKZVUGQWSA-N 1 2 432.521 -0.197 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=C[C@@](C)(O)C=C[C@H]1O)C2 ZINC001183534860 1074247134 /nfs/dbraw/zinc/24/71/34/1074247134.db2.gz DQOXWYNMZVURKH-NBCNXNJRSA-N 1 2 432.521 -0.197 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=C[C@](C)(O)C=C[C@@H]1O)C2 ZINC001183534861 1074247545 /nfs/dbraw/zinc/24/75/45/1074247545.db2.gz DQOXWYNMZVURKH-XWFZLUIHSA-N 1 2 432.521 -0.197 20 0 IBADLO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC001183579308 1074247565 /nfs/dbraw/zinc/24/75/65/1074247565.db2.gz FKKLBLGDTQMEOT-UHFFFAOYSA-N 1 2 428.511 -0.031 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1(C)CCS(=O)(=O)CC1)CC2 ZINC001183630730 1074247936 /nfs/dbraw/zinc/24/79/36/1074247936.db2.gz QHHIAJNDCZZKCS-UHFFFAOYSA-N 1 2 437.566 -0.093 20 0 IBADLO CC1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CCS(=O)(=O)CC1 ZINC001183681173 1074248461 /nfs/dbraw/zinc/24/84/61/1074248461.db2.gz FXTZYMHTGKJCAD-KBPBESRZSA-N 1 2 425.511 -0.872 20 0 IBADLO CC1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CCS(=O)(=O)CC1 ZINC001183681173 1074248455 /nfs/dbraw/zinc/24/84/55/1074248455.db2.gz FXTZYMHTGKJCAD-KBPBESRZSA-N 1 2 425.511 -0.872 20 0 IBADLO O=C(C[C@@H]1NC(=O)CNC1=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001183727608 1074251554 /nfs/dbraw/zinc/25/15/54/1074251554.db2.gz ZJKBUHIJSMBQCV-KRWDZBQOSA-N 1 2 436.472 -0.013 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001183775943 1074252867 /nfs/dbraw/zinc/25/28/67/1074252867.db2.gz HVDHFFQBBQPOED-AEFFLSMTSA-N 1 2 449.533 -0.293 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001183775943 1074252862 /nfs/dbraw/zinc/25/28/62/1074252862.db2.gz HVDHFFQBBQPOED-AEFFLSMTSA-N 1 2 449.533 -0.293 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001183777069 1074253207 /nfs/dbraw/zinc/25/32/07/1074253207.db2.gz UTVPJTXSYWIMON-AEFFLSMTSA-N 1 2 438.550 -0.289 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001183777069 1074253200 /nfs/dbraw/zinc/25/32/00/1074253200.db2.gz UTVPJTXSYWIMON-AEFFLSMTSA-N 1 2 438.550 -0.289 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001183777070 1074253278 /nfs/dbraw/zinc/25/32/78/1074253278.db2.gz UTVPJTXSYWIMON-WMZOPIPTSA-N 1 2 438.550 -0.289 20 0 IBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001183777070 1074253273 /nfs/dbraw/zinc/25/32/73/1074253273.db2.gz UTVPJTXSYWIMON-WMZOPIPTSA-N 1 2 438.550 -0.289 20 0 IBADLO Nc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c[nH+]1 ZINC001183932539 1074253691 /nfs/dbraw/zinc/25/36/91/1074253691.db2.gz WDXRFNSFNKSRAX-BRWVUGGUSA-N 1 2 436.534 -0.283 20 0 IBADLO Nc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c[nH+]1 ZINC001183932540 1074253542 /nfs/dbraw/zinc/25/35/42/1074253542.db2.gz WDXRFNSFNKSRAX-GVDBMIGSSA-N 1 2 436.534 -0.283 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(N)[nH+]c1)C(=O)NCC(N)=O ZINC001183932901 1074254169 /nfs/dbraw/zinc/25/41/69/1074254169.db2.gz AFBIGZFFNDRGLD-HOTGVXAUSA-N 1 2 432.525 -0.280 20 0 IBADLO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)NC1=O ZINC001184074797 1074256087 /nfs/dbraw/zinc/25/60/87/1074256087.db2.gz SLEDUMLLWJEOJP-WMZOPIPTSA-N 1 2 441.532 -0.237 20 0 IBADLO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)NC1=O ZINC001184074797 1074256079 /nfs/dbraw/zinc/25/60/79/1074256079.db2.gz SLEDUMLLWJEOJP-WMZOPIPTSA-N 1 2 441.532 -0.237 20 0 IBADLO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)NC1=O ZINC001184075363 1074256712 /nfs/dbraw/zinc/25/67/12/1074256712.db2.gz YSUILFGTIYBUFU-ZFWWWQNUSA-N 1 2 427.465 -0.996 20 0 IBADLO COc1cc(CC(=O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001184258001 1074258446 /nfs/dbraw/zinc/25/84/46/1074258446.db2.gz YWATWZDJGUVUMC-GJZGRUSLSA-N 1 2 443.460 -0.561 20 0 IBADLO COc1cc(CC(=O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1O ZINC001184258001 1074258441 /nfs/dbraw/zinc/25/84/41/1074258441.db2.gz YWATWZDJGUVUMC-GJZGRUSLSA-N 1 2 443.460 -0.561 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)Cc1c[nH]c2ccccc12 ZINC001184306612 1074258905 /nfs/dbraw/zinc/25/89/05/1074258905.db2.gz OIIUJJAAMDNAQU-FHWLQOOXSA-N 1 2 438.488 -0.002 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)Cc1c[nH]c2ccccc12 ZINC001184306612 1074258896 /nfs/dbraw/zinc/25/88/96/1074258896.db2.gz OIIUJJAAMDNAQU-FHWLQOOXSA-N 1 2 438.488 -0.002 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)Cc1c[nH]c2ccccc12 ZINC001184306613 1074258847 /nfs/dbraw/zinc/25/88/47/1074258847.db2.gz OIIUJJAAMDNAQU-GBESFXJTSA-N 1 2 438.488 -0.002 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)Cc1c[nH]c2ccccc12 ZINC001184306613 1074258839 /nfs/dbraw/zinc/25/88/39/1074258839.db2.gz OIIUJJAAMDNAQU-GBESFXJTSA-N 1 2 438.488 -0.002 20 0 IBADLO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001184414363 1074259862 /nfs/dbraw/zinc/25/98/62/1074259862.db2.gz LJGRJEITNMHROF-QUCCMNQESA-N 1 2 429.477 -0.098 20 0 IBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c1ccccc1 ZINC001184420802 1074260675 /nfs/dbraw/zinc/26/06/75/1074260675.db2.gz DMXNVURRMPWCHQ-SCTDSRPQSA-N 1 2 430.461 -0.241 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21 ZINC001184521077 1074261581 /nfs/dbraw/zinc/26/15/81/1074261581.db2.gz VXUDWNFVNONXHW-HOCLYGCPSA-N 1 2 443.439 -0.192 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21 ZINC001184521077 1074261575 /nfs/dbraw/zinc/26/15/75/1074261575.db2.gz VXUDWNFVNONXHW-HOCLYGCPSA-N 1 2 443.439 -0.192 20 0 IBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001184901104 1074263771 /nfs/dbraw/zinc/26/37/71/1074263771.db2.gz QFNVRRANRQZWFG-HNNXBMFYSA-N 1 2 445.629 -0.962 20 0 IBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001184901105 1074263727 /nfs/dbraw/zinc/26/37/27/1074263727.db2.gz QFNVRRANRQZWFG-OAHLLOKOSA-N 1 2 445.629 -0.962 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)[C@H]2NCN[C@H]21 ZINC001184969694 1074264199 /nfs/dbraw/zinc/26/41/99/1074264199.db2.gz QJAATWBCJSEMGZ-ARFHVFGLSA-N 1 2 427.958 -0.403 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)[C@H]2NCN[C@@H]21 ZINC001184969695 1074264308 /nfs/dbraw/zinc/26/43/08/1074264308.db2.gz QJAATWBCJSEMGZ-BZUAXINKSA-N 1 2 427.958 -0.403 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)[C@@H]2NCN[C@@H]21 ZINC001184969696 1074264250 /nfs/dbraw/zinc/26/42/50/1074264250.db2.gz QJAATWBCJSEMGZ-OAGGEKHMSA-N 1 2 427.958 -0.403 20 0 IBADLO [NH3+][C@@H]1NCN(C(=O)C2(Cc3ccccc3Cl)CCS(=O)(=O)CC2)[C@@H]2NCN[C@H]21 ZINC001184969697 1074264369 /nfs/dbraw/zinc/26/43/69/1074264369.db2.gz QJAATWBCJSEMGZ-XHSDSOJGSA-N 1 2 427.958 -0.403 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1cnc(Cl)nc1)CC2 ZINC001185019589 1074264391 /nfs/dbraw/zinc/26/43/91/1074264391.db2.gz FPGVXVCGIPUFPM-UHFFFAOYSA-N 1 2 439.929 -0.002 20 0 IBADLO CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001185279786 1074265803 /nfs/dbraw/zinc/26/58/03/1074265803.db2.gz ATISAZBELLEEQP-HNNXBMFYSA-N 1 2 440.588 -0.842 20 0 IBADLO CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001185279787 1074265818 /nfs/dbraw/zinc/26/58/18/1074265818.db2.gz ATISAZBELLEEQP-OAHLLOKOSA-N 1 2 440.588 -0.842 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC001185280387 1074266810 /nfs/dbraw/zinc/26/68/10/1074266810.db2.gz KXSODQIWYSQNRG-UHFFFAOYSA-N 1 2 448.542 -0.173 20 0 IBADLO Cc1ncc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1C ZINC001185423269 1074268210 /nfs/dbraw/zinc/26/82/10/1074268210.db2.gz RYLBALPFTWKXDN-UHFFFAOYSA-N 1 2 428.540 -0.446 20 0 IBADLO COc1nc(OC)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1C ZINC001185441741 1074268239 /nfs/dbraw/zinc/26/82/39/1074268239.db2.gz PNGJSMYOYKBNIV-GJZGRUSLSA-N 1 2 430.465 -0.052 20 0 IBADLO COc1nc(OC)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1C ZINC001185441741 1074268232 /nfs/dbraw/zinc/26/82/32/1074268232.db2.gz PNGJSMYOYKBNIV-GJZGRUSLSA-N 1 2 430.465 -0.052 20 0 IBADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC)C(C)C ZINC001185683141 1074274990 /nfs/dbraw/zinc/27/49/90/1074274990.db2.gz OQFHCHBJUUOKJM-JYJNAYRXSA-N 1 2 437.497 -0.008 20 0 IBADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC)C(C)C ZINC001185683143 1074275042 /nfs/dbraw/zinc/27/50/42/1074275042.db2.gz OQFHCHBJUUOKJM-PMPSAXMXSA-N 1 2 437.497 -0.008 20 0 IBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185816144 1074277590 /nfs/dbraw/zinc/27/75/90/1074277590.db2.gz RWCGOMWFGLZZEN-HNNXBMFYSA-N 1 2 437.474 -0.143 20 0 IBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185816144 1074277581 /nfs/dbraw/zinc/27/75/81/1074277581.db2.gz RWCGOMWFGLZZEN-HNNXBMFYSA-N 1 2 437.474 -0.143 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185816145 1074277609 /nfs/dbraw/zinc/27/76/09/1074277609.db2.gz RWCGOMWFGLZZEN-OAHLLOKOSA-N 1 2 437.474 -0.143 20 0 IBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185816145 1074277603 /nfs/dbraw/zinc/27/76/03/1074277603.db2.gz RWCGOMWFGLZZEN-OAHLLOKOSA-N 1 2 437.474 -0.143 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001185866421 1074279072 /nfs/dbraw/zinc/27/90/72/1074279072.db2.gz FNDMNWUOVMENRF-AWEZNQCLSA-N 1 2 431.453 -0.790 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001185866557 1074279030 /nfs/dbraw/zinc/27/90/30/1074279030.db2.gz GKEQVHVSLQYOHR-BIENJYKASA-N 1 2 428.486 -0.769 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001185866565 1074278920 /nfs/dbraw/zinc/27/89/20/1074278920.db2.gz GKEQVHVSLQYOHR-CKFHNAJUSA-N 1 2 428.486 -0.769 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001185866569 1074279056 /nfs/dbraw/zinc/27/90/56/1074279056.db2.gz GKEQVHVSLQYOHR-NJSLBKSFSA-N 1 2 428.486 -0.769 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001185866571 1074278912 /nfs/dbraw/zinc/27/89/12/1074278912.db2.gz GKEQVHVSLQYOHR-TYILLQQXSA-N 1 2 428.486 -0.769 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001185867840 1074279822 /nfs/dbraw/zinc/27/98/22/1074279822.db2.gz POYKDFLWOFEHSI-KRWDZBQOSA-N 1 2 445.520 -0.030 20 0 IBADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001185867840 1074279818 /nfs/dbraw/zinc/27/98/18/1074279818.db2.gz POYKDFLWOFEHSI-KRWDZBQOSA-N 1 2 445.520 -0.030 20 0 IBADLO CC(=O)NC[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001185966926 1074281913 /nfs/dbraw/zinc/28/19/13/1074281913.db2.gz YPDIITMQUMNUHJ-FHWLQOOXSA-N 1 2 440.504 -0.167 20 0 IBADLO CC(=O)NC[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001185966926 1074281905 /nfs/dbraw/zinc/28/19/05/1074281905.db2.gz YPDIITMQUMNUHJ-FHWLQOOXSA-N 1 2 440.504 -0.167 20 0 IBADLO CC(=O)NC[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001185966927 1074281877 /nfs/dbraw/zinc/28/18/77/1074281877.db2.gz YPDIITMQUMNUHJ-QYZOEREBSA-N 1 2 440.504 -0.167 20 0 IBADLO CC(=O)NC[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC001185966927 1074281870 /nfs/dbraw/zinc/28/18/70/1074281870.db2.gz YPDIITMQUMNUHJ-QYZOEREBSA-N 1 2 440.504 -0.167 20 0 IBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001185975458 1074281776 /nfs/dbraw/zinc/28/17/76/1074281776.db2.gz ZZBZAEDJUWQRJK-UHFFFAOYSA-N 1 2 425.495 -0.206 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(OCC(N)=O)cc1)CC2 ZINC001186050070 1074282521 /nfs/dbraw/zinc/28/25/21/1074282521.db2.gz ASGLPZKQCOBKTD-UHFFFAOYSA-N 1 2 440.504 -0.130 20 0 IBADLO NC(=O)COc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001186070157 1074281982 /nfs/dbraw/zinc/28/19/82/1074281982.db2.gz LWNVFFKWZXUTBF-HOTGVXAUSA-N 1 2 428.449 -0.909 20 0 IBADLO NC(=O)COc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001186070157 1074281977 /nfs/dbraw/zinc/28/19/77/1074281977.db2.gz LWNVFFKWZXUTBF-HOTGVXAUSA-N 1 2 428.449 -0.909 20 0 IBADLO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317023 1074285666 /nfs/dbraw/zinc/28/56/66/1074285666.db2.gz VNLUTHPEACATSU-CFPLAWGXSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317023 1074285658 /nfs/dbraw/zinc/28/56/58/1074285658.db2.gz VNLUTHPEACATSU-CFPLAWGXSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317024 1074285723 /nfs/dbraw/zinc/28/57/23/1074285723.db2.gz VNLUTHPEACATSU-JTCPLQINSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317024 1074285716 /nfs/dbraw/zinc/28/57/16/1074285716.db2.gz VNLUTHPEACATSU-JTCPLQINSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317025 1074285804 /nfs/dbraw/zinc/28/58/04/1074285804.db2.gz VNLUTHPEACATSU-UCTHVYFCSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317025 1074285798 /nfs/dbraw/zinc/28/57/98/1074285798.db2.gz VNLUTHPEACATSU-UCTHVYFCSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317026 1074285819 /nfs/dbraw/zinc/28/58/19/1074285819.db2.gz VNLUTHPEACATSU-UKAHIYEMSA-N 1 2 428.485 -0.470 20 0 IBADLO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317026 1074285816 /nfs/dbraw/zinc/28/58/16/1074285816.db2.gz VNLUTHPEACATSU-UKAHIYEMSA-N 1 2 428.485 -0.470 20 0 IBADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001186598624 1074292606 /nfs/dbraw/zinc/29/26/06/1074292606.db2.gz ICMSEUGOAZPUAP-SFHVURJKSA-N 1 2 436.484 -0.454 20 0 IBADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001186602632 1074293156 /nfs/dbraw/zinc/29/31/56/1074293156.db2.gz ACTHCYBQAAJNPL-HOTGVXAUSA-N 1 2 441.326 -0.247 20 0 IBADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001186602632 1074293152 /nfs/dbraw/zinc/29/31/52/1074293152.db2.gz ACTHCYBQAAJNPL-HOTGVXAUSA-N 1 2 441.326 -0.247 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186619560 1074288946 /nfs/dbraw/zinc/28/89/46/1074288946.db2.gz CRKVDABIPRPERD-JYJNAYRXSA-N 1 2 441.554 -0.371 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186619561 1074288905 /nfs/dbraw/zinc/28/89/05/1074288905.db2.gz CRKVDABIPRPERD-XHSDSOJGSA-N 1 2 441.554 -0.371 20 0 IBADLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c12 ZINC001186627278 1074290099 /nfs/dbraw/zinc/29/00/99/1074290099.db2.gz LBBBCLQBUMJNRE-GUBZILKMSA-N 1 2 447.452 -0.783 20 0 IBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001186628555 1074290444 /nfs/dbraw/zinc/29/04/44/1074290444.db2.gz YJULAWWRUNWJAX-JYJNAYRXSA-N 1 2 446.552 -0.011 20 0 IBADLO COc1cc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2)cc[nH+]1 ZINC001186630268 1074290412 /nfs/dbraw/zinc/29/04/12/1074290412.db2.gz FZMYNQUZJFAREC-KKUMJFAQSA-N 1 2 448.524 -0.727 20 0 IBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001186630291 1074290432 /nfs/dbraw/zinc/29/04/32/1074290432.db2.gz GFKWXGUCAXIINL-ULQDDVLXSA-N 1 2 446.552 -0.698 20 0 IBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186636292 1074298302 /nfs/dbraw/zinc/29/83/02/1074298302.db2.gz ORUDNHWWYJEROU-RZLSGREXSA-N 1 2 445.511 -0.148 20 0 IBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186636303 1074298339 /nfs/dbraw/zinc/29/83/39/1074298339.db2.gz ORUDNHWWYJEROU-YXWQFLTLSA-N 1 2 445.511 -0.148 20 0 IBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001186636488 1074298279 /nfs/dbraw/zinc/29/82/79/1074298279.db2.gz RMWSJQZJUKUEJU-AVGNSLFASA-N 1 2 426.543 -0.398 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(N)=O ZINC001186642966 1074300561 /nfs/dbraw/zinc/30/05/61/1074300561.db2.gz SAJKEQJPUMQTIG-YJNKXOJESA-N 1 2 441.529 -0.809 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(N)=O ZINC001186642966 1074300555 /nfs/dbraw/zinc/30/05/55/1074300555.db2.gz SAJKEQJPUMQTIG-YJNKXOJESA-N 1 2 441.529 -0.809 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCc2[nH+]ccn2CC1)C(N)=O ZINC001186646203 1074300899 /nfs/dbraw/zinc/30/08/99/1074300899.db2.gz LTGNIRBTFLUREC-UONOGXRCSA-N 1 2 436.513 -0.069 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001186649231 1074301486 /nfs/dbraw/zinc/30/14/86/1074301486.db2.gz MPHQDQSRJZHXEV-BFHYXJOUSA-N 1 2 429.518 -0.903 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001186649231 1074301476 /nfs/dbraw/zinc/30/14/76/1074301476.db2.gz MPHQDQSRJZHXEV-BFHYXJOUSA-N 1 2 429.518 -0.903 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001186649234 1074301511 /nfs/dbraw/zinc/30/15/11/1074301511.db2.gz MPHQDQSRJZHXEV-MELADBBJSA-N 1 2 429.518 -0.903 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001186649234 1074301502 /nfs/dbraw/zinc/30/15/02/1074301502.db2.gz MPHQDQSRJZHXEV-MELADBBJSA-N 1 2 429.518 -0.903 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCC[N@H+]1CCOC[C@H]1C)C(N)=O ZINC001186651757 1074302222 /nfs/dbraw/zinc/30/22/22/1074302222.db2.gz YXAAYNOHQWSLBO-QLFBSQMISA-N 1 2 443.545 -0.513 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(N)=O ZINC001186651757 1074302215 /nfs/dbraw/zinc/30/22/15/1074302215.db2.gz YXAAYNOHQWSLBO-QLFBSQMISA-N 1 2 443.545 -0.513 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(N)=O ZINC001186651758 1074302282 /nfs/dbraw/zinc/30/22/82/1074302282.db2.gz YXAAYNOHQWSLBO-SOUVJXGZSA-N 1 2 443.545 -0.513 20 0 IBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(N)=O ZINC001186651758 1074302275 /nfs/dbraw/zinc/30/22/75/1074302275.db2.gz YXAAYNOHQWSLBO-SOUVJXGZSA-N 1 2 443.545 -0.513 20 0 IBADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001186659352 1074303145 /nfs/dbraw/zinc/30/31/45/1074303145.db2.gz HFQJBFGYMXRLRB-MNEFBYGVSA-N 1 2 427.505 -0.079 20 0 IBADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001186659352 1074303141 /nfs/dbraw/zinc/30/31/41/1074303141.db2.gz HFQJBFGYMXRLRB-MNEFBYGVSA-N 1 2 427.505 -0.079 20 0 IBADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001186659353 1074303101 /nfs/dbraw/zinc/30/31/01/1074303101.db2.gz HFQJBFGYMXRLRB-SNRMKQJTSA-N 1 2 427.505 -0.079 20 0 IBADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001186659353 1074303096 /nfs/dbraw/zinc/30/30/96/1074303096.db2.gz HFQJBFGYMXRLRB-SNRMKQJTSA-N 1 2 427.505 -0.079 20 0 IBADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001186666855 1074294877 /nfs/dbraw/zinc/29/48/77/1074294877.db2.gz NGFGYKZYMGBITQ-IRXDYDNUSA-N 1 2 430.509 -0.614 20 0 IBADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001186669670 1074295885 /nfs/dbraw/zinc/29/58/85/1074295885.db2.gz QDPZWPDNFKFSHR-ROUUACIJSA-N 1 2 449.552 -0.915 20 0 IBADLO COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186669861 1074295924 /nfs/dbraw/zinc/29/59/24/1074295924.db2.gz WJFJDGUVULKFGC-ROUUACIJSA-N 1 2 448.524 -0.736 20 0 IBADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001186670343 1074296137 /nfs/dbraw/zinc/29/61/37/1074296137.db2.gz FHRCKHVVAMOBKJ-ROUUACIJSA-N 1 2 431.493 -0.305 20 0 IBADLO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001186716188 1074305538 /nfs/dbraw/zinc/30/55/38/1074305538.db2.gz CKZVQLHXJQCUNV-ZIAGYGMSSA-N 1 2 430.465 -0.323 20 0 IBADLO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001186717924 1074306066 /nfs/dbraw/zinc/30/60/66/1074306066.db2.gz UMGKOIHJHZGGLP-ZIAGYGMSSA-N 1 2 448.524 -0.851 20 0 IBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186718136 1074306082 /nfs/dbraw/zinc/30/60/82/1074306082.db2.gz WKWXCUGRQCQXKY-DHYLWCPWSA-N 1 2 427.498 -0.302 20 0 IBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186718139 1074305903 /nfs/dbraw/zinc/30/59/03/1074305903.db2.gz WKWXCUGRQCQXKY-GIQLZXEWSA-N 1 2 427.498 -0.302 20 0 IBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186718141 1074306023 /nfs/dbraw/zinc/30/60/23/1074306023.db2.gz WKWXCUGRQCQXKY-NKSTXHLWSA-N 1 2 427.498 -0.302 20 0 IBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186718143 1074306076 /nfs/dbraw/zinc/30/60/76/1074306076.db2.gz WKWXCUGRQCQXKY-NOAAKOMESA-N 1 2 427.498 -0.302 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC001186957230 1074307777 /nfs/dbraw/zinc/30/77/77/1074307777.db2.gz HBMNJUOJPACEEB-UHFFFAOYSA-N 1 2 435.492 -0.018 20 0 IBADLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001187035602 1074308191 /nfs/dbraw/zinc/30/81/91/1074308191.db2.gz BZPCSUBYRRKIPG-CJJNLKBDSA-N 1 2 430.448 -0.237 20 0 IBADLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001187035602 1074308181 /nfs/dbraw/zinc/30/81/81/1074308181.db2.gz BZPCSUBYRRKIPG-CJJNLKBDSA-N 1 2 430.448 -0.237 20 0 IBADLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001187035603 1074308284 /nfs/dbraw/zinc/30/82/84/1074308284.db2.gz BZPCSUBYRRKIPG-SWDVWOBCSA-N 1 2 430.448 -0.237 20 0 IBADLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001187035603 1074308273 /nfs/dbraw/zinc/30/82/73/1074308273.db2.gz BZPCSUBYRRKIPG-SWDVWOBCSA-N 1 2 430.448 -0.237 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cn2cncn2)cc1 ZINC001187079814 1074308014 /nfs/dbraw/zinc/30/80/14/1074308014.db2.gz FAHQOCVBPQIZGZ-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cn2cncn2)cc1 ZINC001187079814 1074308005 /nfs/dbraw/zinc/30/80/05/1074308005.db2.gz FAHQOCVBPQIZGZ-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(=O)Nc1c(F)cccc1F ZINC001187119278 1074308076 /nfs/dbraw/zinc/30/80/76/1074308076.db2.gz OPUAPLDCEUTMKJ-KBPBESRZSA-N 1 2 434.403 -0.170 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(=O)Nc1c(F)cccc1F ZINC001187119278 1074308066 /nfs/dbraw/zinc/30/80/66/1074308066.db2.gz OPUAPLDCEUTMKJ-KBPBESRZSA-N 1 2 434.403 -0.170 20 0 IBADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)CC[C@@H]3C2)cs1 ZINC001187517876 1074312313 /nfs/dbraw/zinc/31/23/13/1074312313.db2.gz RTFLQZFOKAVDEK-HYVNUMGLSA-N 1 2 435.550 -0.104 20 0 IBADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)CC[C@@H]3C2)cs1 ZINC001187517876 1074312298 /nfs/dbraw/zinc/31/22/98/1074312298.db2.gz RTFLQZFOKAVDEK-HYVNUMGLSA-N 1 2 435.550 -0.104 20 0 IBADLO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001187518476 1074312190 /nfs/dbraw/zinc/31/21/90/1074312190.db2.gz XGGIEDBRRDBATB-KRWDZBQOSA-N 1 2 427.505 -0.626 20 0 IBADLO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001187518476 1074312184 /nfs/dbraw/zinc/31/21/84/1074312184.db2.gz XGGIEDBRRDBATB-KRWDZBQOSA-N 1 2 427.505 -0.626 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541163 1074313395 /nfs/dbraw/zinc/31/33/95/1074313395.db2.gz GYMGIBZZHZMNKP-BZSNNMDCSA-N 1 2 441.488 -0.374 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541164 1074313326 /nfs/dbraw/zinc/31/33/26/1074313326.db2.gz GYMGIBZZHZMNKP-OKZBNKHCSA-N 1 2 441.488 -0.374 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(S(=O)(=O)NC)cc3)C2)C1 ZINC001188114785 1074316683 /nfs/dbraw/zinc/31/66/83/1074316683.db2.gz MQPCTXOMNAKVRG-FQEVSTJZSA-N 1 2 438.550 -0.105 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(S(=O)(=O)NC)cc3)C2)C1 ZINC001188114785 1074316674 /nfs/dbraw/zinc/31/66/74/1074316674.db2.gz MQPCTXOMNAKVRG-FQEVSTJZSA-N 1 2 438.550 -0.105 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(S(=O)(=O)NC)cc3)C2)C1 ZINC001188114789 1074316586 /nfs/dbraw/zinc/31/65/86/1074316586.db2.gz MQPCTXOMNAKVRG-HXUWFJFHSA-N 1 2 438.550 -0.105 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(S(=O)(=O)NC)cc3)C2)C1 ZINC001188114789 1074316580 /nfs/dbraw/zinc/31/65/80/1074316580.db2.gz MQPCTXOMNAKVRG-HXUWFJFHSA-N 1 2 438.550 -0.105 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001188130668 1074317023 /nfs/dbraw/zinc/31/70/23/1074317023.db2.gz IDSYTLNRUNSLMJ-HOTGVXAUSA-N 1 2 448.505 -0.865 20 0 IBADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001188130668 1074317018 /nfs/dbraw/zinc/31/70/18/1074317018.db2.gz IDSYTLNRUNSLMJ-HOTGVXAUSA-N 1 2 448.505 -0.865 20 0 IBADLO COC(=O)CCS(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001188363685 1074317702 /nfs/dbraw/zinc/31/77/02/1074317702.db2.gz OMAQFJYIFOFXQH-HNNXBMFYSA-N 1 2 430.527 -0.439 20 0 IBADLO COC(=O)CCS(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001188363692 1074317781 /nfs/dbraw/zinc/31/77/81/1074317781.db2.gz OMAQFJYIFOFXQH-OAHLLOKOSA-N 1 2 430.527 -0.439 20 0 IBADLO Cn1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(C(F)(F)F)n1 ZINC001188963942 1074322026 /nfs/dbraw/zinc/32/20/26/1074322026.db2.gz MNWVBWNHWQEWQZ-RYUDHWBXSA-N 1 2 427.387 -0.021 20 0 IBADLO Cn1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(C(F)(F)F)n1 ZINC001188963942 1074322020 /nfs/dbraw/zinc/32/20/20/1074322020.db2.gz MNWVBWNHWQEWQZ-RYUDHWBXSA-N 1 2 427.387 -0.021 20 0 IBADLO CC(C)(C)OC(=O)CN1CC[C@H](N2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1=O ZINC001188987724 1074322186 /nfs/dbraw/zinc/32/21/86/1074322186.db2.gz CAIILUFHIAXOPP-AWEZNQCLSA-N 1 2 438.481 -0.558 20 0 IBADLO CC(C)(C)OC(=O)CN1CC[C@@H](N2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1=O ZINC001188987725 1074321923 /nfs/dbraw/zinc/32/19/23/1074321923.db2.gz CAIILUFHIAXOPP-CQSZACIVSA-N 1 2 438.481 -0.558 20 0 IBADLO COc1cc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(OC)nn1 ZINC001189065527 1074322102 /nfs/dbraw/zinc/32/21/02/1074322102.db2.gz ULUWGRXZCQDSTN-UHFFFAOYSA-N 1 2 429.481 -0.187 20 0 IBADLO COc1cc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(OC)n1 ZINC001189088456 1074322567 /nfs/dbraw/zinc/32/25/67/1074322567.db2.gz IJMWAAWPUYLKFR-UHFFFAOYSA-N 1 2 429.481 -0.187 20 0 IBADLO COc1cc(OC)nc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001189224315 1074322862 /nfs/dbraw/zinc/32/28/62/1074322862.db2.gz UMJCBFMJKIJJAJ-UHFFFAOYSA-N 1 2 429.481 -0.187 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(N4CCOCC4)nc3)C2)C1 ZINC001189384656 1074323768 /nfs/dbraw/zinc/32/37/68/1074323768.db2.gz PGYKNTGCOVCTHO-NRFANRHFSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(N4CCOCC4)nc3)C2)C1 ZINC001189384656 1074323762 /nfs/dbraw/zinc/32/37/62/1074323762.db2.gz PGYKNTGCOVCTHO-NRFANRHFSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(N4CCOCC4)nc3)C2)C1 ZINC001189384657 1074323748 /nfs/dbraw/zinc/32/37/48/1074323748.db2.gz PGYKNTGCOVCTHO-OAQYLSRUSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(N4CCOCC4)nc3)C2)C1 ZINC001189384657 1074323740 /nfs/dbraw/zinc/32/37/40/1074323740.db2.gz PGYKNTGCOVCTHO-OAQYLSRUSA-N 1 2 432.525 -0.386 20 0 IBADLO Cn1c(=O)cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n(C)c1=O ZINC001189428450 1074324167 /nfs/dbraw/zinc/32/41/67/1074324167.db2.gz DMWNFIHNAKXVNZ-UHFFFAOYSA-N 1 2 425.489 -0.309 20 0 IBADLO Cn1c(=O)cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n(C)c1=O ZINC001189428450 1074324160 /nfs/dbraw/zinc/32/41/60/1074324160.db2.gz DMWNFIHNAKXVNZ-UHFFFAOYSA-N 1 2 425.489 -0.309 20 0 IBADLO C[C@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC001189507077 1074325174 /nfs/dbraw/zinc/32/51/74/1074325174.db2.gz AMBULEIYYGZNHH-HNNXBMFYSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CCO ZINC001189507077 1074325168 /nfs/dbraw/zinc/32/51/68/1074325168.db2.gz AMBULEIYYGZNHH-HNNXBMFYSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC001189507080 1074325241 /nfs/dbraw/zinc/32/52/41/1074325241.db2.gz AMBULEIYYGZNHH-OAHLLOKOSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CCO ZINC001189507080 1074325237 /nfs/dbraw/zinc/32/52/37/1074325237.db2.gz AMBULEIYYGZNHH-OAHLLOKOSA-N 1 2 425.507 -0.373 20 0 IBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC ZINC001189568152 1074326178 /nfs/dbraw/zinc/32/61/78/1074326178.db2.gz FNJDZAJARRYKJU-AWEZNQCLSA-N 1 2 440.478 -0.011 20 0 IBADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC ZINC001189568284 1074326045 /nfs/dbraw/zinc/32/60/45/1074326045.db2.gz HVWMMSSHMHBZOM-ZDUSSCGKSA-N 1 2 426.451 -0.022 20 0 IBADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC ZINC001189568284 1074326037 /nfs/dbraw/zinc/32/60/37/1074326037.db2.gz HVWMMSSHMHBZOM-ZDUSSCGKSA-N 1 2 426.451 -0.022 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC ZINC001189568988 1074325983 /nfs/dbraw/zinc/32/59/83/1074325983.db2.gz ORWZJNXJDRMNQG-CYBMUJFWSA-N 1 2 426.451 -0.401 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC ZINC001189568989 1074326138 /nfs/dbraw/zinc/32/61/38/1074326138.db2.gz ORWZJNXJDRMNQG-ZDUSSCGKSA-N 1 2 426.451 -0.401 20 0 IBADLO Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001189609767 1074326508 /nfs/dbraw/zinc/32/65/08/1074326508.db2.gz JHOVICOIVYQHEZ-QWRGUYRKSA-N 1 2 427.387 -0.021 20 0 IBADLO Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001189609767 1074326504 /nfs/dbraw/zinc/32/65/04/1074326504.db2.gz JHOVICOIVYQHEZ-QWRGUYRKSA-N 1 2 427.387 -0.021 20 0 IBADLO CC(=O)Nc1nc(C)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001189899554 1074328461 /nfs/dbraw/zinc/32/84/61/1074328461.db2.gz YIMLYIXFVJIUSZ-STQMWFEESA-N 1 2 433.494 -0.050 20 0 IBADLO CC(=O)Nc1nc(C)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001189899554 1074328454 /nfs/dbraw/zinc/32/84/54/1074328454.db2.gz YIMLYIXFVJIUSZ-STQMWFEESA-N 1 2 433.494 -0.050 20 0 IBADLO COc1cc(O)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)c1 ZINC001190149321 1074329194 /nfs/dbraw/zinc/32/91/94/1074329194.db2.gz XQIJGIYKFIUNTB-KBPBESRZSA-N 1 2 431.449 -0.050 20 0 IBADLO COc1cc(O)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)c1 ZINC001190149321 1074329189 /nfs/dbraw/zinc/32/91/89/1074329189.db2.gz XQIJGIYKFIUNTB-KBPBESRZSA-N 1 2 431.449 -0.050 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(CN4CCOCC4)on3)C2)C1 ZINC001190200268 1074329652 /nfs/dbraw/zinc/32/96/52/1074329652.db2.gz UFOJUSUTHHRFTN-NRFANRHFSA-N 1 2 435.525 -0.193 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(CN4CCOCC4)on3)C2)C1 ZINC001190200268 1074329644 /nfs/dbraw/zinc/32/96/44/1074329644.db2.gz UFOJUSUTHHRFTN-NRFANRHFSA-N 1 2 435.525 -0.193 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(CN4CCOCC4)on3)C2)C1 ZINC001190200271 1074329672 /nfs/dbraw/zinc/32/96/72/1074329672.db2.gz UFOJUSUTHHRFTN-OAQYLSRUSA-N 1 2 435.525 -0.193 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(CN4CCOCC4)on3)C2)C1 ZINC001190200271 1074329665 /nfs/dbraw/zinc/32/96/65/1074329665.db2.gz UFOJUSUTHHRFTN-OAQYLSRUSA-N 1 2 435.525 -0.193 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(CN2CCOCC2)on1 ZINC001190212245 1074329810 /nfs/dbraw/zinc/32/98/10/1074329810.db2.gz KRHGKYRAZFATNN-IRXDYDNUSA-N 1 2 445.480 -0.953 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(CN2CCOCC2)on1 ZINC001190212245 1074329801 /nfs/dbraw/zinc/32/98/01/1074329801.db2.gz KRHGKYRAZFATNN-IRXDYDNUSA-N 1 2 445.480 -0.953 20 0 IBADLO CCOC(=O)CC[C@H](NC(=O)N1CC[NH+](CCN2CCOCC2)CC1)C(=O)OCC ZINC001190463390 1074331187 /nfs/dbraw/zinc/33/11/87/1074331187.db2.gz ZMTWOPFJGDFAAJ-KRWDZBQOSA-N 1 2 428.530 -0.079 20 0 IBADLO CCOC(=O)CC[C@H](NC(=O)N1CCN(CC[NH+]2CCOCC2)CC1)C(=O)OCC ZINC001190463390 1074331181 /nfs/dbraw/zinc/33/11/81/1074331181.db2.gz ZMTWOPFJGDFAAJ-KRWDZBQOSA-N 1 2 428.530 -0.079 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cncc(N4CCOCC4)n3)C2)C1 ZINC001190764443 1074332872 /nfs/dbraw/zinc/33/28/72/1074332872.db2.gz MDIPURJMBSSTHB-NRFANRHFSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cncc(N4CCOCC4)n3)C2)C1 ZINC001190764443 1074332862 /nfs/dbraw/zinc/33/28/62/1074332862.db2.gz MDIPURJMBSSTHB-NRFANRHFSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cncc(N4CCOCC4)n3)C2)C1 ZINC001190764447 1074332929 /nfs/dbraw/zinc/33/29/29/1074332929.db2.gz MDIPURJMBSSTHB-OAQYLSRUSA-N 1 2 432.525 -0.386 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cncc(N4CCOCC4)n3)C2)C1 ZINC001190764447 1074332924 /nfs/dbraw/zinc/33/29/24/1074332924.db2.gz MDIPURJMBSSTHB-OAQYLSRUSA-N 1 2 432.525 -0.386 20 0 IBADLO CC1(c2cccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)n2)OCCO1 ZINC001190860375 1074333537 /nfs/dbraw/zinc/33/35/37/1074333537.db2.gz MKPZGBAOKWMWCH-HOTGVXAUSA-N 1 2 442.476 -0.158 20 0 IBADLO CC1(c2cccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)n2)OCCO1 ZINC001190860375 1074333527 /nfs/dbraw/zinc/33/35/27/1074333527.db2.gz MKPZGBAOKWMWCH-HOTGVXAUSA-N 1 2 442.476 -0.158 20 0 IBADLO CCN1CC[NH+](Cc2ccc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001190871417 1074333595 /nfs/dbraw/zinc/33/35/95/1074333595.db2.gz ZMODINBYFOZTCN-RMJIQZSRSA-N 1 2 437.537 -0.602 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(-c2ncccn2)nc1 ZINC001190902631 1074333420 /nfs/dbraw/zinc/33/34/20/1074333420.db2.gz COHPDXNIGRAGCP-GJZGRUSLSA-N 1 2 435.448 -0.526 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(-c2ncccn2)nc1 ZINC001190902631 1074333411 /nfs/dbraw/zinc/33/34/11/1074333411.db2.gz COHPDXNIGRAGCP-GJZGRUSLSA-N 1 2 435.448 -0.526 20 0 IBADLO CCOC(=O)c1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cs1 ZINC001190961246 1074333958 /nfs/dbraw/zinc/33/39/58/1074333958.db2.gz VIJRUEITGYZHQS-AAEUAGOBSA-N 1 2 434.478 -0.140 20 0 IBADLO CCOC(=O)c1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cs1 ZINC001190961246 1074333951 /nfs/dbraw/zinc/33/39/51/1074333951.db2.gz VIJRUEITGYZHQS-AAEUAGOBSA-N 1 2 434.478 -0.140 20 0 IBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)nc1OC ZINC001191305716 1074335946 /nfs/dbraw/zinc/33/59/46/1074335946.db2.gz IAVRNJWTHKSKQG-KBPBESRZSA-N 1 2 446.464 -0.352 20 0 IBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)nc1OC ZINC001191305716 1074335927 /nfs/dbraw/zinc/33/59/27/1074335927.db2.gz IAVRNJWTHKSKQG-KBPBESRZSA-N 1 2 446.464 -0.352 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)no1 ZINC001191344481 1074336069 /nfs/dbraw/zinc/33/60/69/1074336069.db2.gz JJIZWIBVFMNCRY-UWVGGRQHSA-N 1 2 425.243 -0.022 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)no1 ZINC001191344481 1074336062 /nfs/dbraw/zinc/33/60/62/1074336062.db2.gz JJIZWIBVFMNCRY-UWVGGRQHSA-N 1 2 425.243 -0.022 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(Br)o1 ZINC001191733574 1074337883 /nfs/dbraw/zinc/33/78/83/1074337883.db2.gz SHBHTLCKMQQFEU-UWVGGRQHSA-N 1 2 425.243 -0.022 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(Br)o1 ZINC001191733574 1074337874 /nfs/dbraw/zinc/33/78/74/1074337874.db2.gz SHBHTLCKMQQFEU-UWVGGRQHSA-N 1 2 425.243 -0.022 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1C ZINC001191809232 1074338237 /nfs/dbraw/zinc/33/82/37/1074338237.db2.gz DZYCKLXLKRFATH-INIZCTEOSA-N 1 2 444.579 -0.123 20 0 IBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1C ZINC001191809239 1074338262 /nfs/dbraw/zinc/33/82/62/1074338262.db2.gz DZYCKLXLKRFATH-MRXNPFEDSA-N 1 2 444.579 -0.123 20 0 IBADLO COC(=O)Cc1ccccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001191866261 1074338959 /nfs/dbraw/zinc/33/89/59/1074338959.db2.gz DZBBODWYAQOSRV-IRXDYDNUSA-N 1 2 427.461 -0.057 20 0 IBADLO COC(=O)Cc1ccccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001191866261 1074338947 /nfs/dbraw/zinc/33/89/47/1074338947.db2.gz DZBBODWYAQOSRV-IRXDYDNUSA-N 1 2 427.461 -0.057 20 0 IBADLO C[C@H](C[NH+]1CCOCC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001192032151 1074339640 /nfs/dbraw/zinc/33/96/40/1074339640.db2.gz PWXZQNDSDRHSGP-GOSISDBHSA-N 1 2 439.582 -0.055 20 0 IBADLO C[C@@H](C[NH+]1CCOCC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001192032152 1074339699 /nfs/dbraw/zinc/33/96/99/1074339699.db2.gz PWXZQNDSDRHSGP-SFHVURJKSA-N 1 2 439.582 -0.055 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(N2CCOCC2)ccn1 ZINC001192259740 1074340924 /nfs/dbraw/zinc/34/09/24/1074340924.db2.gz GXDARQPIKYITTG-ROUUACIJSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(N2CCOCC2)ccn1 ZINC001192259740 1074340914 /nfs/dbraw/zinc/34/09/14/1074340914.db2.gz GXDARQPIKYITTG-ROUUACIJSA-N 1 2 441.492 -0.541 20 0 IBADLO CCOC(=O)C(C)(C)S(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001193035782 1074344329 /nfs/dbraw/zinc/34/43/29/1074344329.db2.gz UIDLWFPJXNAKJR-UHFFFAOYSA-N 1 2 441.554 -0.163 20 0 IBADLO CNc1nc(SC)ncc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193119136 1074345470 /nfs/dbraw/zinc/34/54/70/1074345470.db2.gz GMABNVMTFYSTTE-STQMWFEESA-N 1 2 432.510 -0.219 20 0 IBADLO CNc1nc(SC)ncc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193119136 1074345464 /nfs/dbraw/zinc/34/54/64/1074345464.db2.gz GMABNVMTFYSTTE-STQMWFEESA-N 1 2 432.510 -0.219 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(OCCO)c1O ZINC001193364226 1074348416 /nfs/dbraw/zinc/34/84/16/1074348416.db2.gz GTJXHJVWRBNNCC-GJZGRUSLSA-N 1 2 431.449 -0.696 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(OCCO)c1O ZINC001193364226 1074348404 /nfs/dbraw/zinc/34/84/04/1074348404.db2.gz GTJXHJVWRBNNCC-GJZGRUSLSA-N 1 2 431.449 -0.696 20 0 IBADLO CC(=O)C(=O)Oc1ccccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193421083 1074348919 /nfs/dbraw/zinc/34/89/19/1074348919.db2.gz UKYQDXUYMZHAAB-HOTGVXAUSA-N 1 2 441.444 -0.279 20 0 IBADLO CC(=O)C(=O)Oc1ccccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193421083 1074348914 /nfs/dbraw/zinc/34/89/14/1074348914.db2.gz UKYQDXUYMZHAAB-HOTGVXAUSA-N 1 2 441.444 -0.279 20 0 IBADLO Cn1ncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1C(F)(F)F ZINC001193683119 1074351306 /nfs/dbraw/zinc/35/13/06/1074351306.db2.gz DFRVLNQDLZFMJF-RYUDHWBXSA-N 1 2 427.387 -0.021 20 0 IBADLO Cn1ncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1C(F)(F)F ZINC001193683119 1074351301 /nfs/dbraw/zinc/35/13/01/1074351301.db2.gz DFRVLNQDLZFMJF-RYUDHWBXSA-N 1 2 427.387 -0.021 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(-n3cncn3)nc1)CC2 ZINC001193689897 1074351396 /nfs/dbraw/zinc/35/13/96/1074351396.db2.gz FGWPXGJAHIZICY-UHFFFAOYSA-N 1 2 435.492 -0.018 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ncn(-c2cccc(F)c2)n1 ZINC001193764535 1074351730 /nfs/dbraw/zinc/35/17/30/1074351730.db2.gz MKCZPRYDHUZKHL-HOTGVXAUSA-N 1 2 440.439 -0.053 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ncn(-c2cccc(F)c2)n1 ZINC001193764535 1074351717 /nfs/dbraw/zinc/35/17/17/1074351717.db2.gz MKCZPRYDHUZKHL-HOTGVXAUSA-N 1 2 440.439 -0.053 20 0 IBADLO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC001193830048 1074352272 /nfs/dbraw/zinc/35/22/72/1074352272.db2.gz ZTEGJGULNLADCC-UHFFFAOYSA-N 1 2 436.600 -0.583 20 0 IBADLO CC(=O)NCc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001194088246 1074354047 /nfs/dbraw/zinc/35/40/47/1074354047.db2.gz MVUSNDRIMDAXTE-ROUUACIJSA-N 1 2 426.477 -0.137 20 0 IBADLO CC(=O)NCc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001194088246 1074354040 /nfs/dbraw/zinc/35/40/40/1074354040.db2.gz MVUSNDRIMDAXTE-ROUUACIJSA-N 1 2 426.477 -0.137 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cncc(S(C)(=O)=O)c1)CC2 ZINC001194121534 1074354348 /nfs/dbraw/zinc/35/43/48/1074354348.db2.gz QLBNNLXCZIDLOE-UHFFFAOYSA-N 1 2 446.533 -0.195 20 0 IBADLO CS(=O)(=O)c1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001194139758 1074355014 /nfs/dbraw/zinc/35/50/14/1074355014.db2.gz DFIVFTIKAIFXQO-GJZGRUSLSA-N 1 2 434.478 -0.974 20 0 IBADLO CS(=O)(=O)c1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001194139758 1074355003 /nfs/dbraw/zinc/35/50/03/1074355003.db2.gz DFIVFTIKAIFXQO-GJZGRUSLSA-N 1 2 434.478 -0.974 20 0 IBADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001194286138 1074355868 /nfs/dbraw/zinc/35/58/68/1074355868.db2.gz RIXSZMAFCLKHNC-IRXDYDNUSA-N 1 2 447.517 -0.061 20 0 IBADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001194286138 1074355859 /nfs/dbraw/zinc/35/58/59/1074355859.db2.gz RIXSZMAFCLKHNC-IRXDYDNUSA-N 1 2 447.517 -0.061 20 0 IBADLO COC(=O)c1cc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n[nH]1 ZINC001194297907 1074355184 /nfs/dbraw/zinc/35/51/84/1074355184.db2.gz NACFTFQXPJHPBM-UHFFFAOYSA-N 1 2 437.438 -0.412 20 0 IBADLO COC(=O)c1cc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)[nH]n1 ZINC001194297907 1074355174 /nfs/dbraw/zinc/35/51/74/1074355174.db2.gz NACFTFQXPJHPBM-UHFFFAOYSA-N 1 2 437.438 -0.412 20 0 IBADLO Cc1c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cccc1S(C)(=O)=O ZINC001194440407 1074356684 /nfs/dbraw/zinc/35/66/84/1074356684.db2.gz YEGYXKZPTIRSNX-HOTGVXAUSA-N 1 2 447.517 -0.061 20 0 IBADLO Cc1c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cccc1S(C)(=O)=O ZINC001194440407 1074356672 /nfs/dbraw/zinc/35/66/72/1074356672.db2.gz YEGYXKZPTIRSNX-HOTGVXAUSA-N 1 2 447.517 -0.061 20 0 IBADLO Cn1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001194442847 1074356835 /nfs/dbraw/zinc/35/68/35/1074356835.db2.gz HJOZVLPFIRHOTP-RYUDHWBXSA-N 1 2 438.286 -0.277 20 0 IBADLO Cn1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001194442847 1074356828 /nfs/dbraw/zinc/35/68/28/1074356828.db2.gz HJOZVLPFIRHOTP-RYUDHWBXSA-N 1 2 438.286 -0.277 20 0 IBADLO COCCn1cccc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1=O ZINC001194491726 1074357380 /nfs/dbraw/zinc/35/73/80/1074357380.db2.gz LXNVNOWRXQMWHV-UHFFFAOYSA-N 1 2 442.520 -0.186 20 0 IBADLO COCCn1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001194504242 1074357572 /nfs/dbraw/zinc/35/75/72/1074357572.db2.gz LAAKOHVHVJZOLQ-HOTGVXAUSA-N 1 2 430.465 -0.965 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccn(CC2CC2)c1=O ZINC001194604449 1074357912 /nfs/dbraw/zinc/35/79/12/1074357912.db2.gz NXAQVBIIEMVDPB-IRXDYDNUSA-N 1 2 426.477 -0.201 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccnc(S(C)(=O)=O)c1)CC2 ZINC001194684572 1074359161 /nfs/dbraw/zinc/35/91/61/1074359161.db2.gz TYOPXUJXTCAZGI-UHFFFAOYSA-N 1 2 446.533 -0.195 20 0 IBADLO COc1ncccc1S(=O)(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001194687326 1074359292 /nfs/dbraw/zinc/35/92/92/1074359292.db2.gz VEKLEIOGURLSOB-UHFFFAOYSA-N 1 2 434.522 -0.042 20 0 IBADLO CS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001194694225 1074359652 /nfs/dbraw/zinc/35/96/52/1074359652.db2.gz GSVSNECHPIRBEM-KBPBESRZSA-N 1 2 434.478 -0.974 20 0 IBADLO CS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001194694225 1074359648 /nfs/dbraw/zinc/35/96/48/1074359648.db2.gz GSVSNECHPIRBEM-KBPBESRZSA-N 1 2 434.478 -0.974 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cn(-c3cnccn3)cn1)CC2 ZINC001194716896 1074360268 /nfs/dbraw/zinc/36/02/68/1074360268.db2.gz VAWKDZBMDSSWIO-UHFFFAOYSA-N 1 2 435.492 -0.018 20 0 IBADLO COc1nn2cc(Br)cnc2c1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001194842489 1074361783 /nfs/dbraw/zinc/36/17/83/1074361783.db2.gz RWQPVBFGIIDDSH-UHFFFAOYSA-N 1 2 447.315 -0.447 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001194851165 1074361286 /nfs/dbraw/zinc/36/12/86/1074361286.db2.gz ULAGBCRBJBPIRD-NSHDSACASA-N 1 2 436.416 -0.324 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001194851165 1074361276 /nfs/dbraw/zinc/36/12/76/1074361276.db2.gz ULAGBCRBJBPIRD-NSHDSACASA-N 1 2 436.416 -0.324 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001194858944 1074361175 /nfs/dbraw/zinc/36/11/75/1074361175.db2.gz PCUUWCYJIOXJOC-HNNXBMFYSA-N 1 2 435.506 -0.851 20 0 IBADLO Cn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001194858945 1074361241 /nfs/dbraw/zinc/36/12/41/1074361241.db2.gz PCUUWCYJIOXJOC-OAHLLOKOSA-N 1 2 435.506 -0.851 20 0 IBADLO Cn1c[nH+]cc1-c1cccc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)c1 ZINC001194918427 1074362335 /nfs/dbraw/zinc/36/23/35/1074362335.db2.gz VPFPIIKVURCMRA-KLICCBINSA-N 1 2 426.433 -0.482 20 0 IBADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014533 1074362846 /nfs/dbraw/zinc/36/28/46/1074362846.db2.gz PTKZREHBTJHAQC-DOMZBBRYSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014533 1074362840 /nfs/dbraw/zinc/36/28/40/1074362840.db2.gz PTKZREHBTJHAQC-DOMZBBRYSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014536 1074362687 /nfs/dbraw/zinc/36/26/87/1074362687.db2.gz PTKZREHBTJHAQC-IUODEOHRSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014536 1074362682 /nfs/dbraw/zinc/36/26/82/1074362682.db2.gz PTKZREHBTJHAQC-IUODEOHRSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014538 1074362803 /nfs/dbraw/zinc/36/28/03/1074362803.db2.gz PTKZREHBTJHAQC-SWLSCSKDSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014538 1074362793 /nfs/dbraw/zinc/36/27/93/1074362793.db2.gz PTKZREHBTJHAQC-SWLSCSKDSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014540 1074362655 /nfs/dbraw/zinc/36/26/55/1074362655.db2.gz PTKZREHBTJHAQC-WFASDCNBSA-N 1 2 433.914 -0.416 20 0 IBADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001195014540 1074362649 /nfs/dbraw/zinc/36/26/49/1074362649.db2.gz PTKZREHBTJHAQC-WFASDCNBSA-N 1 2 433.914 -0.416 20 0 IBADLO Cn1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(=O)n(C)c1=O ZINC001195533685 1074369009 /nfs/dbraw/zinc/36/90/09/1074369009.db2.gz DARRYKLXVINOJX-UHFFFAOYSA-N 1 2 425.489 -0.309 20 0 IBADLO Cn1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(=O)n(C)c1=O ZINC001195533685 1074369001 /nfs/dbraw/zinc/36/90/01/1074369001.db2.gz DARRYKLXVINOJX-UHFFFAOYSA-N 1 2 425.489 -0.309 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001195601612 1074370348 /nfs/dbraw/zinc/37/03/48/1074370348.db2.gz AFBRHJKDAKZNQO-UONOGXRCSA-N 1 2 434.540 -0.069 20 0 IBADLO COc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001195700147 1074371983 /nfs/dbraw/zinc/37/19/83/1074371983.db2.gz MSOUBXFYDQUWDS-UHFFFAOYSA-N 1 2 434.522 -0.042 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927524 1074373424 /nfs/dbraw/zinc/37/34/24/1074373424.db2.gz HTJSNFGEXGJCCT-CVEARBPZSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927524 1074373417 /nfs/dbraw/zinc/37/34/17/1074373417.db2.gz HTJSNFGEXGJCCT-CVEARBPZSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927525 1074373356 /nfs/dbraw/zinc/37/33/56/1074373356.db2.gz HTJSNFGEXGJCCT-HOTGVXAUSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927525 1074373349 /nfs/dbraw/zinc/37/33/49/1074373349.db2.gz HTJSNFGEXGJCCT-HOTGVXAUSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927526 1074373198 /nfs/dbraw/zinc/37/31/98/1074373198.db2.gz HTJSNFGEXGJCCT-HZPDHXFCSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927526 1074373189 /nfs/dbraw/zinc/37/31/89/1074373189.db2.gz HTJSNFGEXGJCCT-HZPDHXFCSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927527 1074373315 /nfs/dbraw/zinc/37/33/15/1074373315.db2.gz HTJSNFGEXGJCCT-JKSUJKDBSA-N 1 2 425.489 -0.039 20 0 IBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC001195927527 1074373305 /nfs/dbraw/zinc/37/33/05/1074373305.db2.gz HTJSNFGEXGJCCT-JKSUJKDBSA-N 1 2 425.489 -0.039 20 0 IBADLO CCOC(=O)CS(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001195951130 1074374081 /nfs/dbraw/zinc/37/40/81/1074374081.db2.gz QLFPLBCYEBWWBB-HNNXBMFYSA-N 1 2 430.527 -0.439 20 0 IBADLO CCOC(=O)CS(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001195951134 1074374112 /nfs/dbraw/zinc/37/41/12/1074374112.db2.gz QLFPLBCYEBWWBB-OAHLLOKOSA-N 1 2 430.527 -0.439 20 0 IBADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001196112192 1074375435 /nfs/dbraw/zinc/37/54/35/1074375435.db2.gz UOANIWPXJMLYKU-HNNXBMFYSA-N 1 2 427.479 -0.202 20 0 IBADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001196112192 1074375422 /nfs/dbraw/zinc/37/54/22/1074375422.db2.gz UOANIWPXJMLYKU-HNNXBMFYSA-N 1 2 427.479 -0.202 20 0 IBADLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001196112194 1074375608 /nfs/dbraw/zinc/37/56/08/1074375608.db2.gz UOANIWPXJMLYKU-OAHLLOKOSA-N 1 2 427.479 -0.202 20 0 IBADLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001196112194 1074375601 /nfs/dbraw/zinc/37/56/01/1074375601.db2.gz UOANIWPXJMLYKU-OAHLLOKOSA-N 1 2 427.479 -0.202 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cc(=O)cc(C(N)=O)o1)CC2 ZINC001196194431 1074376037 /nfs/dbraw/zinc/37/60/37/1074376037.db2.gz JJXIUTFMZQIJQS-UHFFFAOYSA-N 1 2 428.449 -0.942 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)cc(C(N)=O)o1)C2 ZINC001196195879 1074375888 /nfs/dbraw/zinc/37/58/88/1074375888.db2.gz TWIXKIFTCVHXNK-AWEZNQCLSA-N 1 2 445.476 -0.439 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)cc(C(N)=O)o1)C2 ZINC001196195881 1074375856 /nfs/dbraw/zinc/37/58/56/1074375856.db2.gz TWIXKIFTCVHXNK-CQSZACIVSA-N 1 2 445.476 -0.439 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cccc(S(C)(=O)=O)n1)CC2 ZINC001196409192 1074378250 /nfs/dbraw/zinc/37/82/50/1074378250.db2.gz HPDBZSCKDSYSLC-UHFFFAOYSA-N 1 2 446.533 -0.195 20 0 IBADLO CS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001196421933 1074378409 /nfs/dbraw/zinc/37/84/09/1074378409.db2.gz NEAQVCOQEWTWPR-KBPBESRZSA-N 1 2 434.478 -0.974 20 0 IBADLO CS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001196421933 1074378401 /nfs/dbraw/zinc/37/84/01/1074378401.db2.gz NEAQVCOQEWTWPR-KBPBESRZSA-N 1 2 434.478 -0.974 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196674346 1074379762 /nfs/dbraw/zinc/37/97/62/1074379762.db2.gz FAJJSFHDGHWACU-ZFWWWQNUSA-N 1 2 439.490 -0.241 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196674346 1074379756 /nfs/dbraw/zinc/37/97/56/1074379756.db2.gz FAJJSFHDGHWACU-ZFWWWQNUSA-N 1 2 439.490 -0.241 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001196708112 1074380322 /nfs/dbraw/zinc/38/03/22/1074380322.db2.gz HHPXMOPGQBGZOA-UHFFFAOYSA-N 1 2 446.533 -0.195 20 0 IBADLO CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001196721564 1074380484 /nfs/dbraw/zinc/38/04/84/1074380484.db2.gz NXYJATDAPILYEG-GJZGRUSLSA-N 1 2 434.478 -0.974 20 0 IBADLO CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001196721564 1074380474 /nfs/dbraw/zinc/38/04/74/1074380474.db2.gz NXYJATDAPILYEG-GJZGRUSLSA-N 1 2 434.478 -0.974 20 0 IBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001196799360 1074380876 /nfs/dbraw/zinc/38/08/76/1074380876.db2.gz SVEOJBYHZHTGNU-UHFFFAOYSA-N 1 2 439.538 -0.967 20 0 IBADLO COC(=O)CCCCS(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001196930169 1074381494 /nfs/dbraw/zinc/38/14/94/1074381494.db2.gz LUOMCWVJSLIECB-UHFFFAOYSA-N 1 2 441.554 -0.161 20 0 IBADLO NC(=O)C1([NH2+]CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCS(=O)(=O)CC1 ZINC001197124043 1074382539 /nfs/dbraw/zinc/38/25/39/1074382539.db2.gz ATRZPCITYDELBI-UHFFFAOYSA-N 1 2 442.582 -0.304 20 0 IBADLO NC(=O)C1([NH2+]CC(=O)NCc2ccccc2CN2CCCC2=O)CCS(=O)(=O)CC1 ZINC001197125264 1074382439 /nfs/dbraw/zinc/38/24/39/1074382439.db2.gz NLENAQFISDYTNG-UHFFFAOYSA-N 1 2 436.534 -0.553 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(C2CCOCC2)c1 ZINC001197126534 1074382926 /nfs/dbraw/zinc/38/29/26/1074382926.db2.gz SNWKGBFSOMDJSZ-IRXDYDNUSA-N 1 2 429.481 -0.225 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(C2CCOCC2)c1 ZINC001197126534 1074382918 /nfs/dbraw/zinc/38/29/18/1074382918.db2.gz SNWKGBFSOMDJSZ-IRXDYDNUSA-N 1 2 429.481 -0.225 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197192977 1074383353 /nfs/dbraw/zinc/38/33/53/1074383353.db2.gz JDCLSEQRZYNGQO-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197192977 1074383347 /nfs/dbraw/zinc/38/33/47/1074383347.db2.gz JDCLSEQRZYNGQO-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263961 1074384286 /nfs/dbraw/zinc/38/42/86/1074384286.db2.gz HXKKKRXEXQYMMI-AUUYWEPGSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263961 1074384274 /nfs/dbraw/zinc/38/42/74/1074384274.db2.gz HXKKKRXEXQYMMI-AUUYWEPGSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263962 1074384314 /nfs/dbraw/zinc/38/43/14/1074384314.db2.gz HXKKKRXEXQYMMI-IFXJQAMLSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263962 1074384304 /nfs/dbraw/zinc/38/43/04/1074384304.db2.gz HXKKKRXEXQYMMI-IFXJQAMLSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263963 1074384346 /nfs/dbraw/zinc/38/43/46/1074384346.db2.gz HXKKKRXEXQYMMI-KUHUBIRLSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263963 1074384334 /nfs/dbraw/zinc/38/43/34/1074384334.db2.gz HXKKKRXEXQYMMI-KUHUBIRLSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263964 1074384540 /nfs/dbraw/zinc/38/45/40/1074384540.db2.gz HXKKKRXEXQYMMI-LIRRHRJNSA-N 1 2 441.506 -0.356 20 0 IBADLO COC(=O)[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001197263964 1074384533 /nfs/dbraw/zinc/38/45/33/1074384533.db2.gz HXKKKRXEXQYMMI-LIRRHRJNSA-N 1 2 441.506 -0.356 20 0 IBADLO O=C(C[N@H+]1CC[C@H](c2nn[nH]n2)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197297766 1074384487 /nfs/dbraw/zinc/38/44/87/1074384487.db2.gz QSYRBPQOGPDYQN-HNNXBMFYSA-N 1 2 435.510 -0.674 20 0 IBADLO O=C(C[N@@H+]1CC[C@H](c2nn[nH]n2)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197297766 1074384480 /nfs/dbraw/zinc/38/44/80/1074384480.db2.gz QSYRBPQOGPDYQN-HNNXBMFYSA-N 1 2 435.510 -0.674 20 0 IBADLO O=C(C[N@H+]1CC[C@@H](c2nn[nH]n2)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197297771 1074384565 /nfs/dbraw/zinc/38/45/65/1074384565.db2.gz QSYRBPQOGPDYQN-OAHLLOKOSA-N 1 2 435.510 -0.674 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197297771 1074384557 /nfs/dbraw/zinc/38/45/57/1074384557.db2.gz QSYRBPQOGPDYQN-OAHLLOKOSA-N 1 2 435.510 -0.674 20 0 IBADLO NC(=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC001197383873 1074385074 /nfs/dbraw/zinc/38/50/74/1074385074.db2.gz AQTGFJKQEZQGGJ-UHFFFAOYSA-N 1 2 438.550 -0.373 20 0 IBADLO NC(=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC001197383873 1074385067 /nfs/dbraw/zinc/38/50/67/1074385067.db2.gz AQTGFJKQEZQGGJ-UHFFFAOYSA-N 1 2 438.550 -0.373 20 0 IBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001197458206 1074385376 /nfs/dbraw/zinc/38/53/76/1074385376.db2.gz HVDXSGFVPNJGIL-CYBMUJFWSA-N 1 2 434.522 -0.276 20 0 IBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001197458208 1074385493 /nfs/dbraw/zinc/38/54/93/1074385493.db2.gz HVDXSGFVPNJGIL-ZDUSSCGKSA-N 1 2 434.522 -0.276 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(Cc2cccnc2)c1 ZINC001197504097 1074386054 /nfs/dbraw/zinc/38/60/54/1074386054.db2.gz IKHKULGCWAVNGX-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(Cc2cccnc2)c1 ZINC001197504097 1074386046 /nfs/dbraw/zinc/38/60/46/1074386046.db2.gz IKHKULGCWAVNGX-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CC(F)(F)F)c1 ZINC001197568830 1074385923 /nfs/dbraw/zinc/38/59/23/1074385923.db2.gz HBOPOXCYXKMAIH-STQMWFEESA-N 1 2 427.387 -0.014 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CC(F)(F)F)c1 ZINC001197568830 1074385915 /nfs/dbraw/zinc/38/59/15/1074385915.db2.gz HBOPOXCYXKMAIH-STQMWFEESA-N 1 2 427.387 -0.014 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197621741 1074386477 /nfs/dbraw/zinc/38/64/77/1074386477.db2.gz YTECZZRHUPFSNY-MSOLQXFVSA-N 1 2 429.477 -0.092 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197621741 1074386467 /nfs/dbraw/zinc/38/64/67/1074386467.db2.gz YTECZZRHUPFSNY-MSOLQXFVSA-N 1 2 429.477 -0.092 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197621741 1074386458 /nfs/dbraw/zinc/38/64/58/1074386458.db2.gz YTECZZRHUPFSNY-MSOLQXFVSA-N 1 2 429.477 -0.092 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197621741 1074386449 /nfs/dbraw/zinc/38/64/49/1074386449.db2.gz YTECZZRHUPFSNY-MSOLQXFVSA-N 1 2 429.477 -0.092 20 0 IBADLO COCCOc1ncccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197640619 1074386576 /nfs/dbraw/zinc/38/65/76/1074386576.db2.gz CBYHMUGKTKESGP-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ncccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197640619 1074386564 /nfs/dbraw/zinc/38/65/64/1074386564.db2.gz CBYHMUGKTKESGP-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1cccnc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197698023 1074386800 /nfs/dbraw/zinc/38/68/00/1074386800.db2.gz ZQKYNDHSSLLAIK-GJZGRUSLSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1cccnc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197698023 1074386796 /nfs/dbraw/zinc/38/67/96/1074386796.db2.gz ZQKYNDHSSLLAIK-GJZGRUSLSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCn1cc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cnc1=O ZINC001197702269 1074386810 /nfs/dbraw/zinc/38/68/10/1074386810.db2.gz GRDRLPQTXLNFMZ-UHFFFAOYSA-N 1 2 443.508 -0.791 20 0 IBADLO COCCn1cc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cnc1=O ZINC001197703749 1074387139 /nfs/dbraw/zinc/38/71/39/1074387139.db2.gz ZQFFWHAOBLXHGJ-UHFFFAOYSA-N 1 2 425.449 -0.263 20 0 IBADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)Cc3nnc4n3CCNC4=O)CC2)cc1 ZINC001197711229 1074387744 /nfs/dbraw/zinc/38/77/44/1074387744.db2.gz RMKWRDDTCHSBAA-UHFFFAOYSA-N 1 2 427.509 -0.194 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnc(=O)n(CC3CC3)c1)CC2 ZINC001197764085 1074387523 /nfs/dbraw/zinc/38/75/23/1074387523.db2.gz ORENSOODWDXDML-UHFFFAOYSA-N 1 2 439.520 -0.027 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197780372 1074388199 /nfs/dbraw/zinc/38/81/99/1074388199.db2.gz FVRWVKANFVVMBU-HOTGVXAUSA-N 1 2 427.465 -0.806 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197780372 1074388195 /nfs/dbraw/zinc/38/81/95/1074388195.db2.gz FVRWVKANFVVMBU-HOTGVXAUSA-N 1 2 427.465 -0.806 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnn(-c3ncccn3)c1)CC2 ZINC001197829529 1074388510 /nfs/dbraw/zinc/38/85/10/1074388510.db2.gz KENUDBOLYPDTFH-UHFFFAOYSA-N 1 2 435.492 -0.018 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncn1Cc1ccncc1 ZINC001197895149 1074388554 /nfs/dbraw/zinc/38/85/54/1074388554.db2.gz RDQZKVSKZNWCFP-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001197958752 1074388881 /nfs/dbraw/zinc/38/88/81/1074388881.db2.gz DCQZKFWFNMFGEK-UHFFFAOYSA-N 1 2 425.555 -0.062 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001197958752 1074388875 /nfs/dbraw/zinc/38/88/75/1074388875.db2.gz DCQZKFWFNMFGEK-UHFFFAOYSA-N 1 2 425.555 -0.062 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccnc1OCC1CC1 ZINC001198024213 1074390396 /nfs/dbraw/zinc/39/03/96/1074390396.db2.gz KZFVGKWVOSRNIF-GJZGRUSLSA-N 1 2 427.465 -0.194 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccnc1OCC1CC1 ZINC001198024213 1074390384 /nfs/dbraw/zinc/39/03/84/1074390384.db2.gz KZFVGKWVOSRNIF-GJZGRUSLSA-N 1 2 427.465 -0.194 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccncc1N1CCOCC1 ZINC001198221946 1074391331 /nfs/dbraw/zinc/39/13/31/1074391331.db2.gz QTLGBCITVXTIDA-IRXDYDNUSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccncc1N1CCOCC1 ZINC001198221946 1074391321 /nfs/dbraw/zinc/39/13/21/1074391321.db2.gz QTLGBCITVXTIDA-IRXDYDNUSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccn1Cc1ccccn1 ZINC001198293006 1074391720 /nfs/dbraw/zinc/39/17/20/1074391720.db2.gz FOJOTSNUTCGIAT-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccn1Cc1ccccn1 ZINC001198293006 1074391713 /nfs/dbraw/zinc/39/17/13/1074391713.db2.gz FOJOTSNUTCGIAT-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)C12CCC(CC1)[N@H+]2CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001198309072 1074392396 /nfs/dbraw/zinc/39/23/96/1074392396.db2.gz IENNICHWYCBTDT-UHFFFAOYSA-N 1 2 436.534 -0.194 20 0 IBADLO NC(=O)C12CCC(CC1)[N@@H+]2CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001198309072 1074392387 /nfs/dbraw/zinc/39/23/87/1074392387.db2.gz IENNICHWYCBTDT-UHFFFAOYSA-N 1 2 436.534 -0.194 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccn1CC(F)(F)F ZINC001198312253 1074392168 /nfs/dbraw/zinc/39/21/68/1074392168.db2.gz IMPNDJJQMLQNKE-RYUDHWBXSA-N 1 2 427.387 -0.014 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccn1CC(F)(F)F ZINC001198312253 1074392161 /nfs/dbraw/zinc/39/21/61/1074392161.db2.gz IMPNDJJQMLQNKE-RYUDHWBXSA-N 1 2 427.387 -0.014 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)C1=O ZINC001198347110 1074392251 /nfs/dbraw/zinc/39/22/51/1074392251.db2.gz YTTMZEUYBADFNS-AOMKIAJQSA-N 1 2 443.504 -0.162 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)C1=O ZINC001198347115 1074392330 /nfs/dbraw/zinc/39/23/30/1074392330.db2.gz YTTMZEUYBADFNS-KSFYIVLOSA-N 1 2 443.504 -0.162 20 0 IBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)C1=O ZINC001198347117 1074392290 /nfs/dbraw/zinc/39/22/90/1074392290.db2.gz YTTMZEUYBADFNS-OPAMFIHVSA-N 1 2 443.504 -0.162 20 0 IBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)C1=O ZINC001198347119 1074392368 /nfs/dbraw/zinc/39/23/68/1074392368.db2.gz YTTMZEUYBADFNS-ZHRRBRCNSA-N 1 2 443.504 -0.162 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(Cc2ccccn2)cn1 ZINC001198377394 1074392752 /nfs/dbraw/zinc/39/27/52/1074392752.db2.gz MFGQNJLBOIDKNX-WMZOPIPTSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(Cc2ccccn2)cn1 ZINC001198377394 1074392737 /nfs/dbraw/zinc/39/27/37/1074392737.db2.gz MFGQNJLBOIDKNX-WMZOPIPTSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(C2CCOCC2)cn1 ZINC001198413108 1074393276 /nfs/dbraw/zinc/39/32/76/1074393276.db2.gz NPLFCAVJMNILEF-RDJZCZTQSA-N 1 2 429.481 -0.225 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(C2CCOCC2)cn1 ZINC001198413108 1074393267 /nfs/dbraw/zinc/39/32/67/1074393267.db2.gz NPLFCAVJMNILEF-RDJZCZTQSA-N 1 2 429.481 -0.225 20 0 IBADLO Cn1c2ccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cc2n(C)c1=O ZINC001198519937 1074393888 /nfs/dbraw/zinc/39/38/88/1074393888.db2.gz NWJLJIVXHJROEC-HOCLYGCPSA-N 1 2 439.476 -0.583 20 0 IBADLO Cn1c2ccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cc2n(C)c1=O ZINC001198519937 1074393876 /nfs/dbraw/zinc/39/38/76/1074393876.db2.gz NWJLJIVXHJROEC-HOCLYGCPSA-N 1 2 439.476 -0.583 20 0 IBADLO Cn1c2ccccc2nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001198678210 1074394520 /nfs/dbraw/zinc/39/45/20/1074394520.db2.gz GNQGRPKBICLSKN-HOCLYGCPSA-N 1 2 437.460 -0.526 20 0 IBADLO Cn1c2ccccc2nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001198678210 1074394513 /nfs/dbraw/zinc/39/45/13/1074394513.db2.gz GNQGRPKBICLSKN-HOCLYGCPSA-N 1 2 437.460 -0.526 20 0 IBADLO COCCn1c(=O)cccc1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001198690691 1074394367 /nfs/dbraw/zinc/39/43/67/1074394367.db2.gz YFNUICMQCRWCPW-UHFFFAOYSA-N 1 2 442.520 -0.186 20 0 IBADLO COCCn1c(=O)cccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001198702112 1074394230 /nfs/dbraw/zinc/39/42/30/1074394230.db2.gz BVPYUALCMIVSTQ-GJZGRUSLSA-N 1 2 430.465 -0.965 20 0 IBADLO COCCn1c(=O)cccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001198702112 1074394222 /nfs/dbraw/zinc/39/42/22/1074394222.db2.gz BVPYUALCMIVSTQ-GJZGRUSLSA-N 1 2 430.465 -0.965 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198782553 1074394904 /nfs/dbraw/zinc/39/49/04/1074394904.db2.gz HHTBIMXJMYBOFT-IRXDYDNUSA-N 1 2 426.477 -0.201 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198782553 1074394898 /nfs/dbraw/zinc/39/48/98/1074394898.db2.gz HHTBIMXJMYBOFT-IRXDYDNUSA-N 1 2 426.477 -0.201 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(=O)n1CC1CC1 ZINC001198803606 1074395593 /nfs/dbraw/zinc/39/55/93/1074395593.db2.gz MQRNFEPJKKAKNW-HOTGVXAUSA-N 1 2 426.477 -0.201 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(=O)n1CC1CC1 ZINC001198803606 1074395581 /nfs/dbraw/zinc/39/55/81/1074395581.db2.gz MQRNFEPJKKAKNW-HOTGVXAUSA-N 1 2 426.477 -0.201 20 0 IBADLO COCCn1cc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1=O ZINC001198828326 1074395052 /nfs/dbraw/zinc/39/50/52/1074395052.db2.gz FZOXBDKNJJUXTJ-UHFFFAOYSA-N 1 2 442.520 -0.186 20 0 IBADLO COCCn1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1=O ZINC001198840348 1074395540 /nfs/dbraw/zinc/39/55/40/1074395540.db2.gz XLMRWLBNIPRFGH-HOTGVXAUSA-N 1 2 430.465 -0.965 20 0 IBADLO COCCn1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1=O ZINC001198840348 1074395528 /nfs/dbraw/zinc/39/55/28/1074395528.db2.gz XLMRWLBNIPRFGH-HOTGVXAUSA-N 1 2 430.465 -0.965 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198921287 1074396386 /nfs/dbraw/zinc/39/63/86/1074396386.db2.gz JQXAHYMLKWMUTR-IRXDYDNUSA-N 1 2 426.477 -0.201 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198921287 1074396380 /nfs/dbraw/zinc/39/63/80/1074396380.db2.gz JQXAHYMLKWMUTR-IRXDYDNUSA-N 1 2 426.477 -0.201 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198980960 1074397013 /nfs/dbraw/zinc/39/70/13/1074397013.db2.gz IAAWLGHIFQFRCX-HOTGVXAUSA-N 1 2 427.465 -0.491 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198980960 1074397002 /nfs/dbraw/zinc/39/70/02/1074397002.db2.gz IAAWLGHIFQFRCX-HOTGVXAUSA-N 1 2 427.465 -0.491 20 0 IBADLO COCCOc1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001198999561 1074397323 /nfs/dbraw/zinc/39/73/23/1074397323.db2.gz CPNPSFGMHHBGII-IRXDYDNUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001198999561 1074397316 /nfs/dbraw/zinc/39/73/16/1074397316.db2.gz CPNPSFGMHHBGII-IRXDYDNUSA-N 1 2 430.465 -0.353 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cncn1C1CCOCC1 ZINC001199084312 1074397281 /nfs/dbraw/zinc/39/72/81/1074397281.db2.gz YFAXFVZBUXZKGU-HOTGVXAUSA-N 1 2 429.481 -0.225 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncn1C1CCOCC1 ZINC001199084312 1074397270 /nfs/dbraw/zinc/39/72/70/1074397270.db2.gz YFAXFVZBUXZKGU-HOTGVXAUSA-N 1 2 429.481 -0.225 20 0 IBADLO COCCOc1cnc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001199126917 1074397735 /nfs/dbraw/zinc/39/77/35/1074397735.db2.gz ZHDHAMXLKVTPFW-UHFFFAOYSA-N 1 2 443.508 -0.179 20 0 IBADLO COCCOc1cnc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199131551 1074397676 /nfs/dbraw/zinc/39/76/76/1074397676.db2.gz VHLVROQUOOMVGD-ZFWWWQNUSA-N 1 2 431.453 -0.958 20 0 IBADLO COCCOc1cnc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199131551 1074397667 /nfs/dbraw/zinc/39/76/67/1074397667.db2.gz VHLVROQUOOMVGD-ZFWWWQNUSA-N 1 2 431.453 -0.958 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(OCC2CC2)cn1 ZINC001199143447 1074397960 /nfs/dbraw/zinc/39/79/60/1074397960.db2.gz IFPKWBLBOJANFQ-HOCLYGCPSA-N 1 2 427.465 -0.194 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(OCC2CC2)cn1 ZINC001199143447 1074397950 /nfs/dbraw/zinc/39/79/50/1074397950.db2.gz IFPKWBLBOJANFQ-HOCLYGCPSA-N 1 2 427.465 -0.194 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(OC2CCC2)cn1 ZINC001199149392 1074397716 /nfs/dbraw/zinc/39/77/16/1074397716.db2.gz URAJDGLFPGVQOP-HOCLYGCPSA-N 1 2 427.465 -0.052 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(OC2CCC2)cn1 ZINC001199149392 1074397709 /nfs/dbraw/zinc/39/77/09/1074397709.db2.gz URAJDGLFPGVQOP-HOCLYGCPSA-N 1 2 427.465 -0.052 20 0 IBADLO COCCOc1ccnc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001199193314 1074397834 /nfs/dbraw/zinc/39/78/34/1074397834.db2.gz RTTJTGXHSMYQDR-UHFFFAOYSA-N 1 2 443.508 -0.179 20 0 IBADLO COCCOc1ccnc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001199198158 1074398402 /nfs/dbraw/zinc/39/84/02/1074398402.db2.gz HBSISZJAMYAJPS-KBPBESRZSA-N 1 2 431.453 -0.958 20 0 IBADLO COCCOc1ccnc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001199198158 1074398393 /nfs/dbraw/zinc/39/83/93/1074398393.db2.gz HBSISZJAMYAJPS-KBPBESRZSA-N 1 2 431.453 -0.958 20 0 IBADLO COCCOc1ccnc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001199219281 1074398299 /nfs/dbraw/zinc/39/82/99/1074398299.db2.gz POEOWUXBJYTYBX-IRXDYDNUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ccnc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001199219281 1074398292 /nfs/dbraw/zinc/39/82/92/1074398292.db2.gz POEOWUXBJYTYBX-IRXDYDNUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ccncc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001199237734 1074398480 /nfs/dbraw/zinc/39/84/80/1074398480.db2.gz KEASOBRJGQHXOD-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ccncc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001199237734 1074398470 /nfs/dbraw/zinc/39/84/70/1074398470.db2.gz KEASOBRJGQHXOD-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ncc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001199250295 1074398345 /nfs/dbraw/zinc/39/83/45/1074398345.db2.gz HQIUZYRJBTYSHA-UHFFFAOYSA-N 1 2 443.508 -0.179 20 0 IBADLO COCCOc1ncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199256076 1074398237 /nfs/dbraw/zinc/39/82/37/1074398237.db2.gz HOAUHZYDDXUAIG-GJZGRUSLSA-N 1 2 431.453 -0.958 20 0 IBADLO COCCOc1ncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199256076 1074398230 /nfs/dbraw/zinc/39/82/30/1074398230.db2.gz HOAUHZYDDXUAIG-GJZGRUSLSA-N 1 2 431.453 -0.958 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cncc(N2CCOCC2)c1 ZINC001199277250 1074398912 /nfs/dbraw/zinc/39/89/12/1074398912.db2.gz YPXRGYPUAPKHHP-ROUUACIJSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncc(N2CCOCC2)c1 ZINC001199277250 1074398900 /nfs/dbraw/zinc/39/89/00/1074398900.db2.gz YPXRGYPUAPKHHP-ROUUACIJSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ncccc1N1CCOCC1 ZINC001199284150 1074398948 /nfs/dbraw/zinc/39/89/48/1074398948.db2.gz SIDBGDJWRHFBLG-RDJZCZTQSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ncccc1N1CCOCC1 ZINC001199284150 1074398942 /nfs/dbraw/zinc/39/89/42/1074398942.db2.gz SIDBGDJWRHFBLG-RDJZCZTQSA-N 1 2 441.492 -0.541 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(-c2cnccn2)nc1 ZINC001199292949 1074398808 /nfs/dbraw/zinc/39/88/08/1074398808.db2.gz GGNQFSDYOOMZOE-HOCLYGCPSA-N 1 2 435.448 -0.526 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(-c2cnccn2)nc1 ZINC001199292949 1074398799 /nfs/dbraw/zinc/39/87/99/1074398799.db2.gz GGNQFSDYOOMZOE-HOCLYGCPSA-N 1 2 435.448 -0.526 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(CC(F)(F)F)cn1 ZINC001199396963 1074399714 /nfs/dbraw/zinc/39/97/14/1074399714.db2.gz CFOQVGWIIRRWFW-AAEUAGOBSA-N 1 2 427.387 -0.014 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(CC(F)(F)F)cn1 ZINC001199396963 1074399706 /nfs/dbraw/zinc/39/97/06/1074399706.db2.gz CFOQVGWIIRRWFW-AAEUAGOBSA-N 1 2 427.387 -0.014 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccn1Cc1cccnc1 ZINC001199404823 1074400847 /nfs/dbraw/zinc/40/08/47/1074400847.db2.gz VFTZEAWDSNORCI-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccn1Cc1cccnc1 ZINC001199404823 1074400842 /nfs/dbraw/zinc/40/08/42/1074400842.db2.gz VFTZEAWDSNORCI-IRXDYDNUSA-N 1 2 436.476 -0.133 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(N4CCCNC4=O)ncn3)C2)C1 ZINC001199423081 1074399730 /nfs/dbraw/zinc/39/97/30/1074399730.db2.gz BBCGTUPFEGMULD-NRFANRHFSA-N 1 2 445.524 -0.303 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(N4CCCNC4=O)ncn3)C2)C1 ZINC001199423081 1074399727 /nfs/dbraw/zinc/39/97/27/1074399727.db2.gz BBCGTUPFEGMULD-NRFANRHFSA-N 1 2 445.524 -0.303 20 0 IBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(N4CCCNC4=O)ncn3)C2)C1 ZINC001199423082 1074399809 /nfs/dbraw/zinc/39/98/09/1074399809.db2.gz BBCGTUPFEGMULD-OAQYLSRUSA-N 1 2 445.524 -0.303 20 0 IBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(N4CCCNC4=O)ncn3)C2)C1 ZINC001199423082 1074399806 /nfs/dbraw/zinc/39/98/06/1074399806.db2.gz BBCGTUPFEGMULD-OAQYLSRUSA-N 1 2 445.524 -0.303 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(Cc2ccncc2)cn1 ZINC001199424100 1074400523 /nfs/dbraw/zinc/40/05/23/1074400523.db2.gz SBZZXGUJSGLCDV-WMZOPIPTSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(Cc2ccncc2)cn1 ZINC001199424100 1074400522 /nfs/dbraw/zinc/40/05/22/1074400522.db2.gz SBZZXGUJSGLCDV-WMZOPIPTSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(OC2CCC2)ncn1 ZINC001199477488 1074401887 /nfs/dbraw/zinc/40/18/87/1074401887.db2.gz SIVCIXXFSBGMTH-HOTGVXAUSA-N 1 2 427.465 -0.052 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(OC2CCC2)ncn1 ZINC001199477488 1074401882 /nfs/dbraw/zinc/40/18/82/1074401882.db2.gz SIVCIXXFSBGMTH-HOTGVXAUSA-N 1 2 427.465 -0.052 20 0 IBADLO COCCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199551419 1074402460 /nfs/dbraw/zinc/40/24/60/1074402460.db2.gz OWULLLRDMXVTGH-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001199551419 1074402457 /nfs/dbraw/zinc/40/24/57/1074402457.db2.gz OWULLLRDMXVTGH-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cn(-c3ncccn3)cn1)CC2 ZINC001199553942 1074401842 /nfs/dbraw/zinc/40/18/42/1074401842.db2.gz YKAZHGUJSGSASD-UHFFFAOYSA-N 1 2 435.492 -0.018 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CC2CCOCC2)c1 ZINC001199568773 1074401507 /nfs/dbraw/zinc/40/15/07/1074401507.db2.gz ONTRDZAVNGXWAS-ROUUACIJSA-N 1 2 443.508 -0.150 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CC2CCOCC2)c1 ZINC001199568773 1074401499 /nfs/dbraw/zinc/40/14/99/1074401499.db2.gz ONTRDZAVNGXWAS-ROUUACIJSA-N 1 2 443.508 -0.150 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(Cc2ccccn2)c1 ZINC001199578827 1074401556 /nfs/dbraw/zinc/40/15/56/1074401556.db2.gz GXGYIRRHWDHRFA-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(Cc2ccccn2)c1 ZINC001199578827 1074401546 /nfs/dbraw/zinc/40/15/46/1074401546.db2.gz GXGYIRRHWDHRFA-ROUUACIJSA-N 1 2 436.476 -0.133 20 0 IBADLO COCCOc1cnccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001199631428 1074402345 /nfs/dbraw/zinc/40/23/45/1074402345.db2.gz OZZDWALUYFUBKL-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO COCCOc1cnccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001199631428 1074402339 /nfs/dbraw/zinc/40/23/39/1074402339.db2.gz OZZDWALUYFUBKL-HOTGVXAUSA-N 1 2 430.465 -0.353 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccc(OC2CCC2)n1 ZINC001199635613 1074402423 /nfs/dbraw/zinc/40/24/23/1074402423.db2.gz KMRGFBQYOPJERQ-GJZGRUSLSA-N 1 2 427.465 -0.052 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccc(OC2CCC2)n1 ZINC001199635613 1074402420 /nfs/dbraw/zinc/40/24/20/1074402420.db2.gz KMRGFBQYOPJERQ-GJZGRUSLSA-N 1 2 427.465 -0.052 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccnc(OC2CCC2)n1 ZINC001199656083 1074402384 /nfs/dbraw/zinc/40/23/84/1074402384.db2.gz ZJIOXLLAOKKZDD-HOTGVXAUSA-N 1 2 427.465 -0.052 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccnc(OC2CCC2)n1 ZINC001199656083 1074402383 /nfs/dbraw/zinc/40/23/83/1074402383.db2.gz ZJIOXLLAOKKZDD-HOTGVXAUSA-N 1 2 427.465 -0.052 20 0 IBADLO COCCN1CCN(C)C2(CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1=O ZINC001199941770 1074405860 /nfs/dbraw/zinc/40/58/60/1074405860.db2.gz SWLGRFQOBUNMIH-UHFFFAOYSA-N 1 2 427.615 -0.162 20 0 IBADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=S)NCCC[NH+]1CCOCC1)CC2 ZINC001199944386 1074405117 /nfs/dbraw/zinc/40/51/17/1074405117.db2.gz WXBQWNZOXUTFJA-UHFFFAOYSA-N 1 2 449.625 -0.237 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=S)NCCN1CCOCC1)CC2 ZINC001200123570 1074336720 /nfs/dbraw/zinc/33/67/20/1074336720.db2.gz XZAAEIXDTKFOTM-UHFFFAOYSA-N 1 2 435.598 -0.628 20 0 IBADLO Cc1cn2c(ncc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)c2=O)s1 ZINC001201227629 1074408741 /nfs/dbraw/zinc/40/87/41/1074408741.db2.gz FGKXEAMRIVAAKR-KBPBESRZSA-N 1 2 443.489 -0.395 20 0 IBADLO Cc1ccn2c(c1)ncc(C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)c2=O ZINC001201267447 1074408700 /nfs/dbraw/zinc/40/87/00/1074408700.db2.gz LMLXJSSTYYXKGI-HOTGVXAUSA-N 1 2 437.460 -0.457 20 0 IBADLO Cc1ccn2c(c1)ncc(C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)c2=O ZINC001201267447 1074408695 /nfs/dbraw/zinc/40/86/95/1074408695.db2.gz LMLXJSSTYYXKGI-HOTGVXAUSA-N 1 2 437.460 -0.457 20 0 IBADLO Cn1cnc2cc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2c1=O ZINC001201349552 1074409433 /nfs/dbraw/zinc/40/94/33/1074409433.db2.gz VFCCHSWUQBRFCO-IRXDYDNUSA-N 1 2 437.460 -0.526 20 0 IBADLO Cn1cnc2cc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)ccc2c1=O ZINC001201349552 1074409429 /nfs/dbraw/zinc/40/94/29/1074409429.db2.gz VFCCHSWUQBRFCO-IRXDYDNUSA-N 1 2 437.460 -0.526 20 0 IBADLO Cc1nc2ccccn2c(=O)c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001201369547 1074409310 /nfs/dbraw/zinc/40/93/10/1074409310.db2.gz WOWFOOUZORJNBA-GJZGRUSLSA-N 1 2 437.460 -0.457 20 0 IBADLO Cc1nc2ccccn2c(=O)c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001201369547 1074409299 /nfs/dbraw/zinc/40/92/99/1074409299.db2.gz WOWFOOUZORJNBA-GJZGRUSLSA-N 1 2 437.460 -0.457 20 0 IBADLO COC(=O)CCCS(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001201906797 1074413086 /nfs/dbraw/zinc/41/30/86/1074413086.db2.gz WLMSMWSLLUTYJN-UHFFFAOYSA-N 1 2 427.527 -0.551 20 0 IBADLO COC(=O)CCCS(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001201909980 1074413317 /nfs/dbraw/zinc/41/33/17/1074413317.db2.gz YMOGCHDBEJHGND-INIZCTEOSA-N 1 2 444.554 -0.049 20 0 IBADLO COC(=O)CCCS(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001201909982 1074413137 /nfs/dbraw/zinc/41/31/37/1074413137.db2.gz YMOGCHDBEJHGND-MRXNPFEDSA-N 1 2 444.554 -0.049 20 0 IBADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CN(C)CC[N@H+]1C ZINC001203950377 1073326484 /nfs/dbraw/zinc/32/64/84/1073326484.db2.gz XRSWLPKTHBFTLK-GDBMZVCRSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001203950377 1073326479 /nfs/dbraw/zinc/32/64/79/1073326479.db2.gz XRSWLPKTHBFTLK-GDBMZVCRSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CN(C)CC[N@H+]1C ZINC001203950382 1073326305 /nfs/dbraw/zinc/32/63/05/1073326305.db2.gz XRSWLPKTHBFTLK-GOEBONIOSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CN(C)CC[N@@H+]1C ZINC001203950382 1073326297 /nfs/dbraw/zinc/32/62/97/1073326297.db2.gz XRSWLPKTHBFTLK-GOEBONIOSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001203950385 1073326383 /nfs/dbraw/zinc/32/63/83/1073326383.db2.gz XRSWLPKTHBFTLK-HOCLYGCPSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001203950385 1073326380 /nfs/dbraw/zinc/32/63/80/1073326380.db2.gz XRSWLPKTHBFTLK-HOCLYGCPSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC001203950387 1073326453 /nfs/dbraw/zinc/32/64/53/1073326453.db2.gz XRSWLPKTHBFTLK-ZBFHGGJFSA-N 1 2 426.543 -0.142 20 0 IBADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001203950387 1073326448 /nfs/dbraw/zinc/32/64/48/1073326448.db2.gz XRSWLPKTHBFTLK-ZBFHGGJFSA-N 1 2 426.543 -0.142 20 0 IBADLO COc1ccc(Cn2cc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)cc1 ZINC001204471976 1073326839 /nfs/dbraw/zinc/32/68/39/1073326839.db2.gz PDFPBBPVSOPTBL-UHFFFAOYSA-N 1 2 449.581 -0.055 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001204840151 1073326930 /nfs/dbraw/zinc/32/69/30/1073326930.db2.gz PULJWRSQUSGPJJ-NRFANRHFSA-N 1 2 433.509 -0.019 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001204840151 1073326926 /nfs/dbraw/zinc/32/69/26/1073326926.db2.gz PULJWRSQUSGPJJ-NRFANRHFSA-N 1 2 433.509 -0.019 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001204840184 1073326854 /nfs/dbraw/zinc/32/68/54/1073326854.db2.gz PULJWRSQUSGPJJ-OAQYLSRUSA-N 1 2 433.509 -0.019 20 0 IBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001204840184 1073326851 /nfs/dbraw/zinc/32/68/51/1073326851.db2.gz PULJWRSQUSGPJJ-OAQYLSRUSA-N 1 2 433.509 -0.019 20 0 IBADLO Cn1ccnc1C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001205120457 1073327236 /nfs/dbraw/zinc/32/72/36/1073327236.db2.gz DGJHIJOXCOQWNF-APWZRJJASA-N 1 2 425.555 -0.105 20 0 IBADLO Cn1ccnc1C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001205120457 1073327226 /nfs/dbraw/zinc/32/72/26/1073327226.db2.gz DGJHIJOXCOQWNF-APWZRJJASA-N 1 2 425.555 -0.105 20 0 IBADLO CCc1ncc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)n1S(=O)(=O)N(C)C ZINC001207302244 1073327878 /nfs/dbraw/zinc/32/78/78/1073327878.db2.gz OQSLCFNBDSVHOI-KRWDZBQOSA-N 1 2 428.603 -0.014 20 0 IBADLO CCc1ncc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)n1S(=O)(=O)N(C)C ZINC001207302245 1073327946 /nfs/dbraw/zinc/32/79/46/1073327946.db2.gz OQSLCFNBDSVHOI-QGZVFWFLSA-N 1 2 428.603 -0.014 20 0 IBADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@@H+](CC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001207444719 1073328126 /nfs/dbraw/zinc/32/81/26/1073328126.db2.gz HCKOHQAPNOFAIN-UHFFFAOYSA-N 1 2 438.598 -0.163 20 0 IBADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+](CC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001207444719 1073328118 /nfs/dbraw/zinc/32/81/18/1073328118.db2.gz HCKOHQAPNOFAIN-UHFFFAOYSA-N 1 2 438.598 -0.163 20 0 IBADLO CN(C)c1ncc2c(n1)[C@H]1C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]1S(=O)(=O)C2 ZINC001207445912 1073328563 /nfs/dbraw/zinc/32/85/63/1073328563.db2.gz XBEIXNLZRWEYIS-JKSUJKDBSA-N 1 2 443.595 -0.090 20 0 IBADLO CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]1S(=O)(=O)C2 ZINC001207445912 1073328551 /nfs/dbraw/zinc/32/85/51/1073328551.db2.gz XBEIXNLZRWEYIS-JKSUJKDBSA-N 1 2 443.595 -0.090 20 0 IBADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001208311466 1073329242 /nfs/dbraw/zinc/32/92/42/1073329242.db2.gz WLXVMAAAXNWQEF-UHFFFAOYSA-N 1 2 437.975 -0.158 20 0 IBADLO O=C1CCC(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001208360831 1073329577 /nfs/dbraw/zinc/32/95/77/1073329577.db2.gz BDRPAPKYSNWBGB-UHFFFAOYSA-N 1 2 430.552 -0.036 20 0 IBADLO O=S(=O)(CCNS(=O)(=O)c1c[nH]nc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC001208361065 1073329627 /nfs/dbraw/zinc/32/96/27/1073329627.db2.gz GMFUKLADMIXAES-UHFFFAOYSA-N 1 2 434.931 -0.112 20 0 IBADLO Cc1conc1CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001208362724 1073329497 /nfs/dbraw/zinc/32/94/97/1073329497.db2.gz UTWYLVWAUURFNM-UHFFFAOYSA-N 1 2 429.524 -0.051 20 0 IBADLO COC(=O)C1(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC001208363127 1073329516 /nfs/dbraw/zinc/32/95/16/1073329516.db2.gz YLKPKNGUUMCUTK-UHFFFAOYSA-N 1 2 446.551 -0.452 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)O1 ZINC001209271780 1073331527 /nfs/dbraw/zinc/33/15/27/1073331527.db2.gz DEVFCPYMGHOMCU-JTDSTZFVSA-N 1 2 436.509 -0.652 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)O1 ZINC001209271780 1073331522 /nfs/dbraw/zinc/33/15/22/1073331522.db2.gz DEVFCPYMGHOMCU-JTDSTZFVSA-N 1 2 436.509 -0.652 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CC2 ZINC001209272318 1073332037 /nfs/dbraw/zinc/33/20/37/1073332037.db2.gz GGGZNLSFRUREPP-ZIFCJYIRSA-N 1 2 437.541 -0.961 20 0 IBADLO CC(C)CN1C[C@@]23C[N@@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209272717 1073331893 /nfs/dbraw/zinc/33/18/93/1073331893.db2.gz KLGBBNSCFYSHIX-NWBNHEMOSA-N 1 2 434.555 -0.627 20 0 IBADLO CC(C)CN1C[C@@]23C[N@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209272717 1073331882 /nfs/dbraw/zinc/33/18/82/1073331882.db2.gz KLGBBNSCFYSHIX-NWBNHEMOSA-N 1 2 434.555 -0.627 20 0 IBADLO CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CCC2 ZINC001209273174 1073332474 /nfs/dbraw/zinc/33/24/74/1073332474.db2.gz NMTHDTKNTREECH-JTDSTZFVSA-N 1 2 438.525 -0.406 20 0 IBADLO CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CCC2 ZINC001209273174 1073332472 /nfs/dbraw/zinc/33/24/72/1073332472.db2.gz NMTHDTKNTREECH-JTDSTZFVSA-N 1 2 438.525 -0.406 20 0 IBADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CCC2 ZINC001209273175 1073332462 /nfs/dbraw/zinc/33/24/62/1073332462.db2.gz NPAXWLYQNGXGHK-RVKKMQEKSA-N 1 2 439.513 -0.907 20 0 IBADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CCC2 ZINC001209273175 1073332460 /nfs/dbraw/zinc/33/24/60/1073332460.db2.gz NPAXWLYQNGXGHK-RVKKMQEKSA-N 1 2 439.513 -0.907 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)O1 ZINC001209273763 1073332455 /nfs/dbraw/zinc/33/24/55/1073332455.db2.gz ULSMSVLSKMQCEF-DYQZNNLLSA-N 1 2 437.537 -0.142 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)O1 ZINC001209273763 1073332452 /nfs/dbraw/zinc/33/24/52/1073332452.db2.gz ULSMSVLSKMQCEF-DYQZNNLLSA-N 1 2 437.537 -0.142 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)O1 ZINC001209273772 1073332494 /nfs/dbraw/zinc/33/24/94/1073332494.db2.gz ULSMSVLSKMQCEF-XAPVIXHLSA-N 1 2 437.537 -0.142 20 0 IBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)O1 ZINC001209273772 1073332490 /nfs/dbraw/zinc/33/24/90/1073332490.db2.gz ULSMSVLSKMQCEF-XAPVIXHLSA-N 1 2 437.537 -0.142 20 0 IBADLO CC(C)CCN1C[C@@]23C[N@@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209275100 1073333167 /nfs/dbraw/zinc/33/31/67/1073333167.db2.gz XJVPDLYRZTYCJL-QFIAKTPHSA-N 1 2 448.582 -0.237 20 0 IBADLO CC(C)CCN1C[C@@]23C[N@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209275100 1073333161 /nfs/dbraw/zinc/33/31/61/1073333161.db2.gz XJVPDLYRZTYCJL-QFIAKTPHSA-N 1 2 448.582 -0.237 20 0 IBADLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333905 1073333505 /nfs/dbraw/zinc/33/35/05/1073333505.db2.gz LDUOJWMHEJHDFG-IVZQSRNASA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333905 1073333497 /nfs/dbraw/zinc/33/34/97/1073333497.db2.gz LDUOJWMHEJHDFG-IVZQSRNASA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333906 1073333470 /nfs/dbraw/zinc/33/34/70/1073333470.db2.gz LDUOJWMHEJHDFG-NYHFZMIOSA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333906 1073333464 /nfs/dbraw/zinc/33/34/64/1073333464.db2.gz LDUOJWMHEJHDFG-NYHFZMIOSA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333907 1073333655 /nfs/dbraw/zinc/33/36/55/1073333655.db2.gz LDUOJWMHEJHDFG-OYHNWAKOSA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333907 1073333649 /nfs/dbraw/zinc/33/36/49/1073333649.db2.gz LDUOJWMHEJHDFG-OYHNWAKOSA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333908 1073333567 /nfs/dbraw/zinc/33/35/67/1073333567.db2.gz LDUOJWMHEJHDFG-QRQCRPRQSA-N 1 2 443.504 -0.027 20 0 IBADLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209333908 1073333562 /nfs/dbraw/zinc/33/35/62/1073333562.db2.gz LDUOJWMHEJHDFG-QRQCRPRQSA-N 1 2 443.504 -0.027 20 0 IBADLO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926301 1073334596 /nfs/dbraw/zinc/33/45/96/1073334596.db2.gz UNSIGFCCSKBIQK-WVSUBDOOSA-N 1 2 433.465 -0.831 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CN(c2ccncn2)C1 ZINC001211153754 1073336084 /nfs/dbraw/zinc/33/60/84/1073336084.db2.gz AHVNKKOVOQELNC-UHFFFAOYSA-N 1 2 446.537 -0.489 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)C[C@H]1CCCO1 ZINC001211154786 1073336255 /nfs/dbraw/zinc/33/62/55/1073336255.db2.gz KYXZANIKAWAMNM-DLBZAZTESA-N 1 2 441.554 -0.237 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)C[C@H]1CCCO1 ZINC001211154787 1073336376 /nfs/dbraw/zinc/33/63/76/1073336376.db2.gz KYXZANIKAWAMNM-IAGOWNOFSA-N 1 2 441.554 -0.237 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)C[C@@H]1CCCO1 ZINC001211154788 1073336276 /nfs/dbraw/zinc/33/62/76/1073336276.db2.gz KYXZANIKAWAMNM-IRXDYDNUSA-N 1 2 441.554 -0.237 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001211154789 1073336329 /nfs/dbraw/zinc/33/63/29/1073336329.db2.gz KYXZANIKAWAMNM-SJORKVTESA-N 1 2 441.554 -0.237 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C2CC2)C1 ZINC001211154855 1073336355 /nfs/dbraw/zinc/33/63/55/1073336355.db2.gz MZKNGEWWPNBBHC-UHFFFAOYSA-N 1 2 436.538 -0.245 20 0 IBADLO C[C@@H]1[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1(=O)=O ZINC001211154897 1073336321 /nfs/dbraw/zinc/33/63/21/1073336321.db2.gz ORUJRIHWZMZZHJ-HUUCEWRRSA-N 1 2 445.567 -0.592 20 0 IBADLO CON1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001211154925 1073336303 /nfs/dbraw/zinc/33/63/03/1073336303.db2.gz PRLRXJPOXNHZMI-UHFFFAOYSA-N 1 2 426.543 -0.142 20 0 IBADLO CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001211154931 1073336165 /nfs/dbraw/zinc/33/61/65/1073336165.db2.gz PXHJWDZFAYMPST-SHTZXODSSA-N 1 2 445.567 -0.592 20 0 IBADLO CN(C)C(=O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001211154936 1073336116 /nfs/dbraw/zinc/33/61/16/1073336116.db2.gz QABYSAPSMBQIFO-INIZCTEOSA-N 1 2 438.554 -0.347 20 0 IBADLO CN(C)C(=O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001211154937 1073336217 /nfs/dbraw/zinc/33/62/17/1073336217.db2.gz QABYSAPSMBQIFO-MRXNPFEDSA-N 1 2 438.554 -0.347 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](C2OCCO2)C1 ZINC001211155829 1073336346 /nfs/dbraw/zinc/33/63/46/1073336346.db2.gz ZVHRZMOOBCXFFR-INIZCTEOSA-N 1 2 439.538 -0.062 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](C2OCCO2)C1 ZINC001211155843 1073336237 /nfs/dbraw/zinc/33/62/37/1073336237.db2.gz ZVHRZMOOBCXFFR-MRXNPFEDSA-N 1 2 439.538 -0.062 20 0 IBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC001211594447 1071196720 /nfs/dbraw/zinc/19/67/20/1071196720.db2.gz GWKZGGLQZJDXIF-HNNXBMFYSA-N 1 2 425.507 -0.373 20 0 IBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)s1 ZINC001211881437 1072527393 /nfs/dbraw/zinc/52/73/93/1072527393.db2.gz RSPYQVRCJLSWKJ-UHFFFAOYSA-N 1 2 425.598 -0.035 20 0 IBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC[N@@H+](C)C1 ZINC001212193830 1072392382 /nfs/dbraw/zinc/39/23/82/1072392382.db2.gz PHHDVBCFMKOCHH-CYBMUJFWSA-N 1 2 431.536 -0.147 20 0 IBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC[N@H+](C)C1 ZINC001212193830 1072392370 /nfs/dbraw/zinc/39/23/70/1072392370.db2.gz PHHDVBCFMKOCHH-CYBMUJFWSA-N 1 2 431.536 -0.147 20 0 IBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC[N@@H+](C)C1 ZINC001212193831 1072392269 /nfs/dbraw/zinc/39/22/69/1072392269.db2.gz PHHDVBCFMKOCHH-ZDUSSCGKSA-N 1 2 431.536 -0.147 20 0 IBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC[N@H+](C)C1 ZINC001212193831 1072392260 /nfs/dbraw/zinc/39/22/60/1072392260.db2.gz PHHDVBCFMKOCHH-ZDUSSCGKSA-N 1 2 431.536 -0.147 20 0 IBADLO OC[C@H]1O[C@H](Oc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001212366184 1073107810 /nfs/dbraw/zinc/10/78/10/1073107810.db2.gz FQSQEVUYNJSPHP-AGRFSFNASA-N 1 2 433.461 -0.160 20 0 IBADLO OC[C@H]1O[C@@H](Oc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC001212366185 1073107863 /nfs/dbraw/zinc/10/78/63/1073107863.db2.gz FQSQEVUYNJSPHP-WVXKDWSHSA-N 1 2 433.461 -0.160 20 0 IBADLO OC[C@H]1O[C@@H](n2ccc3c2ncnc3Nc2ccc(C[NH+]3CC(O)C3)cc2)[C@H](O)[C@@H]1O ZINC001212667493 1074127597 /nfs/dbraw/zinc/12/75/97/1074127597.db2.gz VQJQTBMRLZPXPQ-NEYJZJCJSA-N 1 2 427.461 -0.037 20 0 IBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC001213520136 1073340321 /nfs/dbraw/zinc/34/03/21/1073340321.db2.gz WNPANRLPWQUXKX-HNNXBMFYSA-N 1 2 432.568 -0.440 20 0 IBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC001213520137 1073340206 /nfs/dbraw/zinc/34/02/06/1073340206.db2.gz WNPANRLPWQUXKX-OAHLLOKOSA-N 1 2 432.568 -0.440 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001217657056 1073347176 /nfs/dbraw/zinc/34/71/76/1073347176.db2.gz JJWSCODLCVCKKW-DOMZBBRYSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001217657056 1073347172 /nfs/dbraw/zinc/34/71/72/1073347172.db2.gz JJWSCODLCVCKKW-DOMZBBRYSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001217657057 1073347067 /nfs/dbraw/zinc/34/70/67/1073347067.db2.gz JJWSCODLCVCKKW-IUODEOHRSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001217657057 1073347059 /nfs/dbraw/zinc/34/70/59/1073347059.db2.gz JJWSCODLCVCKKW-IUODEOHRSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001217657058 1073347193 /nfs/dbraw/zinc/34/71/93/1073347193.db2.gz JJWSCODLCVCKKW-SWLSCSKDSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001217657058 1073347187 /nfs/dbraw/zinc/34/71/87/1073347187.db2.gz JJWSCODLCVCKKW-SWLSCSKDSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001217657059 1073347085 /nfs/dbraw/zinc/34/70/85/1073347085.db2.gz JJWSCODLCVCKKW-WFASDCNBSA-N 1 2 446.492 -0.276 20 0 IBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001217657059 1073347078 /nfs/dbraw/zinc/34/70/78/1073347078.db2.gz JJWSCODLCVCKKW-WFASDCNBSA-N 1 2 446.492 -0.276 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc(NC(C)=O)nc3c2ncn3COCCOC(C)=O)C[NH2+]1 ZINC001218173423 1073348234 /nfs/dbraw/zinc/34/82/34/1073348234.db2.gz YEKOVZNOEHRJQB-OLZOCXBDSA-N 1 2 436.425 -0.396 20 0 IBADLO COC(=O)[C@@H]1C[C@H](Oc2nc(NC(C)=O)nc3c2ncn3COCCOC(C)=O)C[NH2+]1 ZINC001218175031 1073348167 /nfs/dbraw/zinc/34/81/67/1073348167.db2.gz YEKOVZNOEHRJQB-STQMWFEESA-N 1 2 436.425 -0.396 20 0 IBADLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1nc(NC(C)=O)nc2c1ncn2COCCOC(C)=O ZINC001218345867 1073349149 /nfs/dbraw/zinc/34/91/49/1073349149.db2.gz DYWUAHDWUJQKFI-OLZOCXBDSA-N 1 2 436.425 -0.396 20 0 IBADLO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N=c3ncnc4[nH][nH]cc3-4)c2)cc1 ZINC001218517660 1073350206 /nfs/dbraw/zinc/35/02/06/1073350206.db2.gz JMXYVFUMIWXYLL-OAHLLOKOSA-N 1 2 426.462 -0.023 20 0 IBADLO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1n[nH]c2nccnc12)C(=O)CF ZINC001218567106 1073351557 /nfs/dbraw/zinc/35/15/57/1073351557.db2.gz AVOUQVVMAYMQDE-KWBADKCTSA-N 1 2 436.448 -0.807 20 0 IBADLO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001218701641 1073355814 /nfs/dbraw/zinc/35/58/14/1073355814.db2.gz BOTRCNZUTKUTSK-CYBMUJFWSA-N 1 2 429.437 -0.638 20 0 IBADLO [NH3+][C@H](CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C(=O)OCc1ccccc1 ZINC001218770337 1073357714 /nfs/dbraw/zinc/35/77/14/1073357714.db2.gz DILCPNGMPDVEBN-MRXNPFEDSA-N 1 2 442.476 -0.080 20 0 IBADLO COc1nccn(C(=O)c2c3c(nn2C)C[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875077 1073365266 /nfs/dbraw/zinc/36/52/66/1073365266.db2.gz KVINWCYBARDMKW-UHFFFAOYSA-N 1 2 429.462 -0.211 20 0 IBADLO COc1nccn(C(=O)c2cnc3n2CC[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875659 1073365656 /nfs/dbraw/zinc/36/56/56/1073365656.db2.gz WGZLSJIPGCLUOY-UHFFFAOYSA-N 1 2 429.462 -0.248 20 0 IBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2noc3c2C[NH2+]CC3)cc1Cl ZINC001218876500 1073366009 /nfs/dbraw/zinc/36/60/09/1073366009.db2.gz JRSXBWSAZIDBJK-UHFFFAOYSA-N 1 2 435.871 -0.479 20 0 IBADLO Cn1nc2c(c1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C[NH2+]C2 ZINC001218877951 1073366918 /nfs/dbraw/zinc/36/69/18/1073366918.db2.gz WWTRSNPAKGAOBF-UHFFFAOYSA-N 1 2 434.887 -0.776 20 0 IBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cnc3n2CC[NH2+]C3)cc1Cl ZINC001218877976 1073366713 /nfs/dbraw/zinc/36/67/13/1073366713.db2.gz XSMVCJVOOIHLML-UHFFFAOYSA-N 1 2 434.887 -0.813 20 0 IBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cnc(C[NH3+])s2)cc1Cl ZINC001218877995 1073366876 /nfs/dbraw/zinc/36/68/76/1073366876.db2.gz YDBNKBXVCSDLCM-UHFFFAOYSA-N 1 2 425.901 -0.198 20 0 IBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]CC(F)(F)C2)cc1Cl ZINC001218879274 1073367668 /nfs/dbraw/zinc/36/76/68/1073367668.db2.gz POEUKBTZHHYCQZ-LURJTMIESA-N 1 2 432.858 -0.182 20 0 IBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]CC(F)(F)C2)cc1Cl ZINC001218879275 1073367540 /nfs/dbraw/zinc/36/75/40/1073367540.db2.gz POEUKBTZHHYCQZ-ZCFIWIBFSA-N 1 2 432.858 -0.182 20 0 IBADLO COC(=O)[C@@H]([NH3+])CC(=O)N(c1cc(OC)nc(OC)n1)S(=O)(=O)c1ccc(N)cc1 ZINC001218920345 1073368821 /nfs/dbraw/zinc/36/88/21/1073368821.db2.gz KATFTPCNMWYEMB-LBPRGKRZSA-N 1 2 439.450 -0.312 20 0 IBADLO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)C(N)=O ZINC001218925621 1073369412 /nfs/dbraw/zinc/36/94/12/1073369412.db2.gz CHMCURRKXMLBRF-GZMMTYOYSA-N 1 2 428.409 -0.991 20 0 IBADLO COC(=O)[C@@H]([NH3+])CC(=O)N(c1ncnc(OC)c1OC)S(=O)(=O)c1ccc(N)cc1 ZINC001218963951 1073370133 /nfs/dbraw/zinc/37/01/33/1073370133.db2.gz WAJYCILDIXXXSZ-LBPRGKRZSA-N 1 2 439.450 -0.312 20 0 IBADLO CN1CCn2nc(NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1 ZINC001219903066 1073381893 /nfs/dbraw/zinc/38/18/93/1073381893.db2.gz PRUMSQGKIFZGDA-UHFFFAOYSA-N 1 2 448.553 -0.003 20 0 IBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c2ccccc2)C(=O)C1=O ZINC001219965491 1073382440 /nfs/dbraw/zinc/38/24/40/1073382440.db2.gz PFCSPNGRTJRMBD-OWCLPIDISA-N 1 2 445.476 -0.852 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C[NH2+]1 ZINC001219965517 1073382414 /nfs/dbraw/zinc/38/24/14/1073382414.db2.gz QJCKMFMPQYHTQU-ILXRZTDVSA-N 1 2 434.497 -0.726 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)C[NH2+]1 ZINC001219965518 1073382433 /nfs/dbraw/zinc/38/24/33/1073382433.db2.gz QJCKMFMPQYHTQU-QLFBSQMISA-N 1 2 434.497 -0.726 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C[NH2+]1 ZINC001219965700 1073382361 /nfs/dbraw/zinc/38/23/61/1073382361.db2.gz XNGGBZAAALGWOV-KGLIPLIRSA-N 1 2 429.514 -0.009 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)C[NH2+]1 ZINC001219967652 1073382406 /nfs/dbraw/zinc/38/24/06/1073382406.db2.gz DMFAAKQLOBGEBS-BNOWGMLFSA-N 1 2 436.494 -0.889 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)C[NH2+]1 ZINC001219967653 1073382492 /nfs/dbraw/zinc/38/24/92/1073382492.db2.gz DMFAAKQLOBGEBS-YUTCNCBUSA-N 1 2 436.494 -0.889 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3ccc(N4CCN(S(C)(=O)=O)CC4)n3c2)C[NH2+]1 ZINC001219967986 1073382371 /nfs/dbraw/zinc/38/23/71/1073382371.db2.gz RKJHJUHAJDOWQG-WBVHZDCISA-N 1 2 449.533 -0.346 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)C[NH2+]1 ZINC001219968017 1073382389 /nfs/dbraw/zinc/38/23/89/1073382389.db2.gz SIVACCWZLQRYOE-QCSYZSNVSA-N 1 2 441.488 -0.507 20 0 IBADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220102956 1073384584 /nfs/dbraw/zinc/38/45/84/1073384584.db2.gz AEGKUJIWAUJNJG-JSGCOSHPSA-N 1 2 434.432 -0.813 20 0 IBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220103352 1073384511 /nfs/dbraw/zinc/38/45/11/1073384511.db2.gz PAAHYVBZGSRJOB-HNNXBMFYSA-N 1 2 435.456 -0.465 20 0 IBADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC001220134580 1073385224 /nfs/dbraw/zinc/38/52/24/1073385224.db2.gz KETWEPUDRMXJBU-VIFPVBQESA-N 1 2 435.242 -0.219 20 0 IBADLO CC(C)(C)OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1=O ZINC001220222988 1073386471 /nfs/dbraw/zinc/38/64/71/1073386471.db2.gz MMUINQXFXHDJIX-KBPBESRZSA-N 1 2 429.481 -0.125 20 0 IBADLO CCOC(=O)[C@H](NC(=O)c1cnc2n1CC[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284040 1073388519 /nfs/dbraw/zinc/38/85/19/1073388519.db2.gz CQBYEDJTIICNQI-SJORKVTESA-N 1 2 436.490 -0.215 20 0 IBADLO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccc2nn[nH]c2c1)C(=O)CF ZINC001220426322 1073390430 /nfs/dbraw/zinc/39/04/30/1073390430.db2.gz DKYBRZONNKIMAU-GYOIFBIXSA-N 1 2 449.487 -0.524 20 0 IBADLO COC(=O)[C@H]1C[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001220433828 1073390830 /nfs/dbraw/zinc/39/08/30/1073390830.db2.gz KOCXWUZCNYQZDB-DOTOQJQBSA-N 1 2 425.507 -0.135 20 0 IBADLO COC(=O)[C@H]1C[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001220433829 1073390934 /nfs/dbraw/zinc/39/09/34/1073390934.db2.gz KOCXWUZCNYQZDB-NVXWUHKLSA-N 1 2 425.507 -0.135 20 0 IBADLO COC(=O)[C@@H]1C[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001220433830 1073390897 /nfs/dbraw/zinc/39/08/97/1073390897.db2.gz KOCXWUZCNYQZDB-RDJZCZTQSA-N 1 2 425.507 -0.135 20 0 IBADLO COC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001220433831 1073390841 /nfs/dbraw/zinc/39/08/41/1073390841.db2.gz KOCXWUZCNYQZDB-WBVHZDCISA-N 1 2 425.507 -0.135 20 0 IBADLO CCn1nnc2c1[C@@H](C(=O)NCc1cccc(S(=O)(=O)N3CCOCC3)c1)C[NH2+]C2 ZINC001220433877 1073390813 /nfs/dbraw/zinc/39/08/13/1073390813.db2.gz LWHOXURVKZHHPQ-INIZCTEOSA-N 1 2 434.522 -0.178 20 0 IBADLO CCn1nnc2c1[C@H](C(=O)NCc1cccc(S(=O)(=O)N3CCOCC3)c1)C[NH2+]C2 ZINC001220433878 1073390974 /nfs/dbraw/zinc/39/09/74/1073390974.db2.gz LWHOXURVKZHHPQ-MRXNPFEDSA-N 1 2 434.522 -0.178 20 0 IBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001220488823 1073392103 /nfs/dbraw/zinc/39/21/03/1073392103.db2.gz JBUZDSVFUNPZLP-MSOLQXFVSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001220488823 1073392094 /nfs/dbraw/zinc/39/20/94/1073392094.db2.gz JBUZDSVFUNPZLP-MSOLQXFVSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001220488824 1073392019 /nfs/dbraw/zinc/39/20/19/1073392019.db2.gz JBUZDSVFUNPZLP-QZTJIDSGSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001220488824 1073392014 /nfs/dbraw/zinc/39/20/14/1073392014.db2.gz JBUZDSVFUNPZLP-QZTJIDSGSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001220488825 1073391986 /nfs/dbraw/zinc/39/19/86/1073391986.db2.gz JBUZDSVFUNPZLP-ROUUACIJSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001220488825 1073391981 /nfs/dbraw/zinc/39/19/81/1073391981.db2.gz JBUZDSVFUNPZLP-ROUUACIJSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001220488826 1073392072 /nfs/dbraw/zinc/39/20/72/1073392072.db2.gz JBUZDSVFUNPZLP-ZWKOTPCHSA-N 1 2 426.539 -0.153 20 0 IBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001220488826 1073392064 /nfs/dbraw/zinc/39/20/64/1073392064.db2.gz JBUZDSVFUNPZLP-ZWKOTPCHSA-N 1 2 426.539 -0.153 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220550630 1073399522 /nfs/dbraw/zinc/39/95/22/1073399522.db2.gz BZXFCNGOUZOJCZ-SFHVURJKSA-N 1 2 428.493 -0.253 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220550630 1073399509 /nfs/dbraw/zinc/39/95/09/1073399509.db2.gz BZXFCNGOUZOJCZ-SFHVURJKSA-N 1 2 428.493 -0.253 20 0 IBADLO [NH3+]C1CCN([C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c2ccco2)CC1 ZINC001220550817 1073399810 /nfs/dbraw/zinc/39/98/10/1073399810.db2.gz KUBHQXBRONEUAI-MAUKXSAKSA-N 1 2 432.481 -0.215 20 0 IBADLO [NH3+]C1CCN([C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c2ccco2)CC1 ZINC001220550817 1073399805 /nfs/dbraw/zinc/39/98/05/1073399805.db2.gz KUBHQXBRONEUAI-MAUKXSAKSA-N 1 2 432.481 -0.215 20 0 IBADLO [NH3+]C1CCN([C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c2ccco2)CC1 ZINC001220550818 1073399747 /nfs/dbraw/zinc/39/97/47/1073399747.db2.gz KUBHQXBRONEUAI-YJBOKZPZSA-N 1 2 432.481 -0.215 20 0 IBADLO [NH3+]C1CCN([C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c2ccco2)CC1 ZINC001220550818 1073399733 /nfs/dbraw/zinc/39/97/33/1073399733.db2.gz KUBHQXBRONEUAI-YJBOKZPZSA-N 1 2 432.481 -0.215 20 0 IBADLO [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220550855 1073399466 /nfs/dbraw/zinc/39/94/66/1073399466.db2.gz LZAOFDFRRAOVSL-SJORKVTESA-N 1 2 445.476 -0.121 20 0 IBADLO [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220550855 1073399447 /nfs/dbraw/zinc/39/94/47/1073399447.db2.gz LZAOFDFRRAOVSL-SJORKVTESA-N 1 2 445.476 -0.121 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220550883 1073399102 /nfs/dbraw/zinc/39/91/02/1073399102.db2.gz MTZSEODIEPRDLD-FXCLAUTBSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220550883 1073399092 /nfs/dbraw/zinc/39/90/92/1073399092.db2.gz MTZSEODIEPRDLD-FXCLAUTBSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220550884 1073399377 /nfs/dbraw/zinc/39/93/77/1073399377.db2.gz MTZSEODIEPRDLD-LZFQIVBZSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220550884 1073399365 /nfs/dbraw/zinc/39/93/65/1073399365.db2.gz MTZSEODIEPRDLD-LZFQIVBZSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220550885 1073399319 /nfs/dbraw/zinc/39/93/19/1073399319.db2.gz MTZSEODIEPRDLD-QRFQSNJMSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220550885 1073399305 /nfs/dbraw/zinc/39/93/05/1073399305.db2.gz MTZSEODIEPRDLD-QRFQSNJMSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220550886 1073399170 /nfs/dbraw/zinc/39/91/70/1073399170.db2.gz MTZSEODIEPRDLD-VPKVUBIPSA-N 1 2 440.504 -0.246 20 0 IBADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220550886 1073399159 /nfs/dbraw/zinc/39/91/59/1073399159.db2.gz MTZSEODIEPRDLD-VPKVUBIPSA-N 1 2 440.504 -0.246 20 0 IBADLO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220551293 1073399871 /nfs/dbraw/zinc/39/98/71/1073399871.db2.gz RQYUJQOJJPAPEW-JSGCOSHPSA-N 1 2 425.486 -0.133 20 0 IBADLO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220551293 1073399865 /nfs/dbraw/zinc/39/98/65/1073399865.db2.gz RQYUJQOJJPAPEW-JSGCOSHPSA-N 1 2 425.486 -0.133 20 0 IBADLO O=C(CCNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220551993 1073399580 /nfs/dbraw/zinc/39/95/80/1073399580.db2.gz YPEJSCORIXVNDN-MAUKXSAKSA-N 1 2 432.481 -0.343 20 0 IBADLO O=C(CCNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220551993 1073399566 /nfs/dbraw/zinc/39/95/66/1073399566.db2.gz YPEJSCORIXVNDN-MAUKXSAKSA-N 1 2 432.481 -0.343 20 0 IBADLO O=C(CCNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220551994 1073399238 /nfs/dbraw/zinc/39/92/38/1073399238.db2.gz YPEJSCORIXVNDN-YJBOKZPZSA-N 1 2 432.481 -0.343 20 0 IBADLO O=C(CCNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220551994 1073399225 /nfs/dbraw/zinc/39/92/25/1073399225.db2.gz YPEJSCORIXVNDN-YJBOKZPZSA-N 1 2 432.481 -0.343 20 0 IBADLO O=C(NCCO[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580511 1073400404 /nfs/dbraw/zinc/40/04/04/1073400404.db2.gz OWYTZACPDIOICF-INIZCTEOSA-N 1 2 427.527 -0.362 20 0 IBADLO O=C(NCCO[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580512 1073400248 /nfs/dbraw/zinc/40/02/48/1073400248.db2.gz OWYTZACPDIOICF-MRXNPFEDSA-N 1 2 427.527 -0.362 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(O)(CO)CC1 ZINC001220580689 1073400374 /nfs/dbraw/zinc/40/03/74/1073400374.db2.gz VFSIESQYTCQFEI-UHFFFAOYSA-N 1 2 427.527 -0.938 20 0 IBADLO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580792 1073401017 /nfs/dbraw/zinc/40/10/17/1073401017.db2.gz ZEYZDECSAVYPFR-CABCVRRESA-N 1 2 445.567 -0.734 20 0 IBADLO Cn1nc(Cl)c(I)c(NC(=O)CN2CC[NH2+]CC2=O)c1=O ZINC001220730227 1073402908 /nfs/dbraw/zinc/40/29/08/1073402908.db2.gz ROYZBEXCQMROGA-UHFFFAOYSA-N 1 2 425.614 -0.591 20 0 IBADLO COc1cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OCC(N)=O ZINC001220864810 1073408963 /nfs/dbraw/zinc/40/89/63/1073408963.db2.gz BGDFLOWQZRRIDB-NRFANRHFSA-N 1 2 436.509 -0.026 20 0 IBADLO COc1cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OCC(N)=O ZINC001220864810 1073408959 /nfs/dbraw/zinc/40/89/59/1073408959.db2.gz BGDFLOWQZRRIDB-NRFANRHFSA-N 1 2 436.509 -0.026 20 0 IBADLO COc1cc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OCC(N)=O ZINC001220864811 1073408980 /nfs/dbraw/zinc/40/89/80/1073408980.db2.gz BGDFLOWQZRRIDB-OAQYLSRUSA-N 1 2 436.509 -0.026 20 0 IBADLO COc1cc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OCC(N)=O ZINC001220864811 1073408975 /nfs/dbraw/zinc/40/89/75/1073408975.db2.gz BGDFLOWQZRRIDB-OAQYLSRUSA-N 1 2 436.509 -0.026 20 0 IBADLO O=C(CCCCNC(=O)c1cc2ccc(O)cc2oc1=O)NCCN1CC[NH2+]CC1=O ZINC001220875260 1073409842 /nfs/dbraw/zinc/40/98/42/1073409842.db2.gz ZPRIJYDHSLJPJM-UHFFFAOYSA-N 1 2 430.461 -0.053 20 0 IBADLO Cc1cn([C@H]2C[C@H](NC(=O)C[C@@H]([NH3+])C(=O)OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967234 1073413253 /nfs/dbraw/zinc/41/32/53/1073413253.db2.gz WVPQAISEGSTODG-KYHPRHEASA-N 1 2 446.460 -0.517 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC001221347733 1073424555 /nfs/dbraw/zinc/42/45/55/1073424555.db2.gz BWNCDVKIOYGGSC-VZZFWQQMSA-N 1 2 430.431 -0.156 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC001221347733 1073424547 /nfs/dbraw/zinc/42/45/47/1073424547.db2.gz BWNCDVKIOYGGSC-VZZFWQQMSA-N 1 2 430.431 -0.156 20 0 IBADLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348901 1073426127 /nfs/dbraw/zinc/42/61/27/1073426127.db2.gz PXMKJYKXCQNMMO-FCLVOEFKSA-N 1 2 442.520 -0.154 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001221349496 1073426255 /nfs/dbraw/zinc/42/62/55/1073426255.db2.gz XWMZJTXQQSICLF-BZSNNMDCSA-N 1 2 428.468 -0.061 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001221349510 1073425990 /nfs/dbraw/zinc/42/59/90/1073425990.db2.gz XWMZJTXQQSICLF-OKZBNKHCSA-N 1 2 428.468 -0.061 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001221483677 1073429508 /nfs/dbraw/zinc/42/95/08/1073429508.db2.gz LBTKQBMRZOSRIQ-IBGZPJMESA-N 1 2 427.523 -0.254 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001221483678 1073429366 /nfs/dbraw/zinc/42/93/66/1073429366.db2.gz LBTKQBMRZOSRIQ-LJQANCHMSA-N 1 2 427.523 -0.254 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001221502230 1073429528 /nfs/dbraw/zinc/42/95/28/1073429528.db2.gz CZJNWKDEXUOFFX-IBGZPJMESA-N 1 2 427.523 -0.254 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001221502231 1073429493 /nfs/dbraw/zinc/42/94/93/1073429493.db2.gz CZJNWKDEXUOFFX-LJQANCHMSA-N 1 2 427.523 -0.254 20 0 IBADLO O=C(CCNC(=O)N1CCC(O)(COCCO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001221554712 1073430136 /nfs/dbraw/zinc/43/01/36/1073430136.db2.gz HDIRGGGDTIGXID-UHFFFAOYSA-N 1 2 435.525 -0.334 20 0 IBADLO CC(C)(C)OC(=O)N1CC(O)(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001221798197 1073431628 /nfs/dbraw/zinc/43/16/28/1073431628.db2.gz AXJQVABAZOWWOC-UHFFFAOYSA-N 1 2 434.559 -0.224 20 0 IBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001221798574 1073431936 /nfs/dbraw/zinc/43/19/36/1073431936.db2.gz JCWBKDZKZNLYJZ-UHFFFAOYSA-N 1 2 439.604 -0.935 20 0 IBADLO CN1C(=O)CC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001221821578 1073432921 /nfs/dbraw/zinc/43/29/21/1073432921.db2.gz PSDZWZMGJKQEQP-CABCVRRESA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001221821578 1073432918 /nfs/dbraw/zinc/43/29/18/1073432918.db2.gz PSDZWZMGJKQEQP-CABCVRRESA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001221821579 1073432895 /nfs/dbraw/zinc/43/28/95/1073432895.db2.gz PSDZWZMGJKQEQP-GJZGRUSLSA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001221821579 1073432892 /nfs/dbraw/zinc/43/28/92/1073432892.db2.gz PSDZWZMGJKQEQP-GJZGRUSLSA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001221821580 1073432699 /nfs/dbraw/zinc/43/26/99/1073432699.db2.gz PSDZWZMGJKQEQP-HUUCEWRRSA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001221821580 1073432690 /nfs/dbraw/zinc/43/26/90/1073432690.db2.gz PSDZWZMGJKQEQP-HUUCEWRRSA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001221821581 1073432818 /nfs/dbraw/zinc/43/28/18/1073432818.db2.gz PSDZWZMGJKQEQP-LSDHHAIUSA-N 1 2 431.497 -0.271 20 0 IBADLO CN1C(=O)CC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001221821581 1073432812 /nfs/dbraw/zinc/43/28/12/1073432812.db2.gz PSDZWZMGJKQEQP-LSDHHAIUSA-N 1 2 431.497 -0.271 20 0 IBADLO C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC001221825280 1073432786 /nfs/dbraw/zinc/43/27/86/1073432786.db2.gz XVNGRIRRKCRDOR-INIZCTEOSA-N 1 2 427.571 -0.266 20 0 IBADLO C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC001221825281 1073432904 /nfs/dbraw/zinc/43/29/04/1073432904.db2.gz XVNGRIRRKCRDOR-MRXNPFEDSA-N 1 2 427.571 -0.266 20 0 IBADLO C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC001222052638 1073434549 /nfs/dbraw/zinc/43/45/49/1073434549.db2.gz IYUSXIVDLRFJBZ-INIZCTEOSA-N 1 2 431.603 -0.105 20 0 IBADLO C[C@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC001222052639 1073434366 /nfs/dbraw/zinc/43/43/66/1073434366.db2.gz IYUSXIVDLRFJBZ-MRXNPFEDSA-N 1 2 431.603 -0.105 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001222070383 1073434478 /nfs/dbraw/zinc/43/44/78/1073434478.db2.gz FAPVJJVXOZIAAX-KRWDZBQOSA-N 1 2 425.555 -0.280 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001222070384 1073434516 /nfs/dbraw/zinc/43/45/16/1073434516.db2.gz FAPVJJVXOZIAAX-QGZVFWFLSA-N 1 2 425.555 -0.280 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001223714270 1073438365 /nfs/dbraw/zinc/43/83/65/1073438365.db2.gz QANCAWBEYCTLBH-IBGZPJMESA-N 1 2 430.571 -0.142 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001223714270 1073438342 /nfs/dbraw/zinc/43/83/42/1073438342.db2.gz QANCAWBEYCTLBH-IBGZPJMESA-N 1 2 430.571 -0.142 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001223714277 1073438456 /nfs/dbraw/zinc/43/84/56/1073438456.db2.gz QANCAWBEYCTLBH-LJQANCHMSA-N 1 2 430.571 -0.142 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001223714277 1073438447 /nfs/dbraw/zinc/43/84/47/1073438447.db2.gz QANCAWBEYCTLBH-LJQANCHMSA-N 1 2 430.571 -0.142 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001224821397 1073441043 /nfs/dbraw/zinc/44/10/43/1073441043.db2.gz RVIODJVQESLQCV-KRWDZBQOSA-N 1 2 444.583 -0.367 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001224821403 1073441120 /nfs/dbraw/zinc/44/11/20/1073441120.db2.gz RVIODJVQESLQCV-QGZVFWFLSA-N 1 2 444.583 -0.367 20 0 IBADLO O=S(=O)([O-])C[C@@H](C[NH+]1CCOCC1)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224946053 1073440971 /nfs/dbraw/zinc/44/09/71/1073440971.db2.gz QPVCJGRZTSKSFQ-GOSISDBHSA-N 1 2 443.570 -0.016 20 0 IBADLO O=S(=O)([O-])C[C@H](C[NH+]1CCOCC1)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224946054 1073441017 /nfs/dbraw/zinc/44/10/17/1073441017.db2.gz QPVCJGRZTSKSFQ-SFHVURJKSA-N 1 2 443.570 -0.016 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001224990121 1073441143 /nfs/dbraw/zinc/44/11/43/1073441143.db2.gz LIPCESSZCOBDHC-KRWDZBQOSA-N 1 2 439.538 -0.559 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001224990127 1073441067 /nfs/dbraw/zinc/44/10/67/1073441067.db2.gz LIPCESSZCOBDHC-QGZVFWFLSA-N 1 2 439.538 -0.559 20 0 IBADLO O=C(NCCn1cc[nH+]c1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001224998554 1073440994 /nfs/dbraw/zinc/44/09/94/1073440994.db2.gz OYXNWIKHKVWELC-UHFFFAOYSA-N 1 2 449.537 -0.169 20 0 IBADLO Cn1cnnc1N1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001225359195 1073442222 /nfs/dbraw/zinc/44/22/22/1073442222.db2.gz DLMCVKPIIRNBLS-UHFFFAOYSA-N 1 2 427.513 -0.219 20 0 IBADLO CNC(=O)NC[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001225360158 1073442342 /nfs/dbraw/zinc/44/23/42/1073442342.db2.gz KYFHONREWIJGOO-INIZCTEOSA-N 1 2 433.513 -0.540 20 0 IBADLO CNC(=O)NC[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001225360166 1073442249 /nfs/dbraw/zinc/44/22/49/1073442249.db2.gz KYFHONREWIJGOO-MRXNPFEDSA-N 1 2 433.513 -0.540 20 0 IBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001225360924 1073442289 /nfs/dbraw/zinc/44/22/89/1073442289.db2.gz SUWOJZFVRQMCQW-HNNXBMFYSA-N 1 2 426.543 -0.253 20 0 IBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001225360928 1073442121 /nfs/dbraw/zinc/44/21/21/1073442121.db2.gz SUWOJZFVRQMCQW-OAHLLOKOSA-N 1 2 426.543 -0.253 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@]12COC(=O)N1CCOC2 ZINC001225361000 1073442366 /nfs/dbraw/zinc/44/23/66/1073442366.db2.gz VAXLCSWQKLIWNU-FQEVSTJZSA-N 1 2 432.481 -0.359 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@]12COC(=O)N1CCOC2 ZINC001225361001 1073442421 /nfs/dbraw/zinc/44/24/21/1073442421.db2.gz VAXLCSWQKLIWNU-HXUWFJFHSA-N 1 2 432.481 -0.359 20 0 IBADLO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001225361141 1073442392 /nfs/dbraw/zinc/44/23/92/1073442392.db2.gz XBLGGGCCVLVCPJ-UHFFFAOYSA-N 1 2 439.480 -0.307 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001226192058 1073444401 /nfs/dbraw/zinc/44/44/01/1073444401.db2.gz ZZCUBZSMXPOGGN-GOSISDBHSA-N 1 2 426.587 -0.066 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001226192058 1073444396 /nfs/dbraw/zinc/44/43/96/1073444396.db2.gz ZZCUBZSMXPOGGN-GOSISDBHSA-N 1 2 426.587 -0.066 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001226192059 1073444313 /nfs/dbraw/zinc/44/43/13/1073444313.db2.gz ZZCUBZSMXPOGGN-SFHVURJKSA-N 1 2 426.587 -0.066 20 0 IBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001226192059 1073444308 /nfs/dbraw/zinc/44/43/08/1073444308.db2.gz ZZCUBZSMXPOGGN-SFHVURJKSA-N 1 2 426.587 -0.066 20 0 IBADLO COC(=O)C1(O)CN(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC001226339170 1073445029 /nfs/dbraw/zinc/44/50/29/1073445029.db2.gz BUTIKOYVBUXEEB-UHFFFAOYSA-N 1 2 448.520 -0.299 20 0 IBADLO CNS(=O)(=O)c1ccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001226783728 1073445016 /nfs/dbraw/zinc/44/50/16/1073445016.db2.gz BGKLIPMFIFAOJT-UHFFFAOYSA-N 1 2 446.595 -0.055 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001226786294 1073444956 /nfs/dbraw/zinc/44/49/56/1073444956.db2.gz SPYAGCQCNZDEOK-DOTOQJQBSA-N 1 2 437.584 -0.469 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001226786298 1073445815 /nfs/dbraw/zinc/44/58/15/1073445815.db2.gz SPYAGCQCNZDEOK-NVXWUHKLSA-N 1 2 437.584 -0.469 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001226786300 1073445703 /nfs/dbraw/zinc/44/57/03/1073445703.db2.gz SPYAGCQCNZDEOK-RDJZCZTQSA-N 1 2 437.584 -0.469 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001226786304 1073445804 /nfs/dbraw/zinc/44/58/04/1073445804.db2.gz SPYAGCQCNZDEOK-WBVHZDCISA-N 1 2 437.584 -0.469 20 0 IBADLO NC(=O)C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001226927237 1073446459 /nfs/dbraw/zinc/44/64/59/1073446459.db2.gz NYORATJUGPQDEJ-CVEARBPZSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001226927237 1073446451 /nfs/dbraw/zinc/44/64/51/1073446451.db2.gz NYORATJUGPQDEJ-CVEARBPZSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001226927263 1073446535 /nfs/dbraw/zinc/44/65/35/1073446535.db2.gz NYORATJUGPQDEJ-HOTGVXAUSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001226927263 1073446530 /nfs/dbraw/zinc/44/65/30/1073446530.db2.gz NYORATJUGPQDEJ-HOTGVXAUSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001226927265 1073446644 /nfs/dbraw/zinc/44/66/44/1073446644.db2.gz NYORATJUGPQDEJ-HZPDHXFCSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001226927265 1073446636 /nfs/dbraw/zinc/44/66/36/1073446636.db2.gz NYORATJUGPQDEJ-HZPDHXFCSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001226927266 1073446621 /nfs/dbraw/zinc/44/66/21/1073446621.db2.gz NYORATJUGPQDEJ-JKSUJKDBSA-N 1 2 433.513 -0.432 20 0 IBADLO NC(=O)C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001226927266 1073446609 /nfs/dbraw/zinc/44/66/09/1073446609.db2.gz NYORATJUGPQDEJ-JKSUJKDBSA-N 1 2 433.513 -0.432 20 0 IBADLO CCOC1CC(CNC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)([NH+]2CCOCC2)C1 ZINC001227517864 1073450006 /nfs/dbraw/zinc/45/00/06/1073450006.db2.gz JERTZTALELIEMF-FZTQNYJHSA-N 1 2 427.498 -0.140 20 0 IBADLO CCOC1CC(CNC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)([NH+]2CCOCC2)C1 ZINC001227517867 1073450130 /nfs/dbraw/zinc/45/01/30/1073450130.db2.gz JERTZTALELIEMF-KMFGOTIKSA-N 1 2 427.498 -0.140 20 0 IBADLO CCOC1CC(CNC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)([NH+]2CCOCC2)C1 ZINC001227517868 1073450018 /nfs/dbraw/zinc/45/00/18/1073450018.db2.gz JERTZTALELIEMF-QKSYQBNISA-N 1 2 427.498 -0.140 20 0 IBADLO CCOC1CC(CNC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)([NH+]2CCOCC2)C1 ZINC001227518101 1073449953 /nfs/dbraw/zinc/44/99/53/1073449953.db2.gz MJVNZOIMKQLARH-UHFFFAOYSA-N 1 2 447.602 -0.174 20 0 IBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001228594196 1073457447 /nfs/dbraw/zinc/45/74/47/1073457447.db2.gz BYVMKHXEYFLFAV-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001228594196 1073457436 /nfs/dbraw/zinc/45/74/36/1073457436.db2.gz BYVMKHXEYFLFAV-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001228594197 1073457642 /nfs/dbraw/zinc/45/76/42/1073457642.db2.gz BYVMKHXEYFLFAV-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001228594197 1073457638 /nfs/dbraw/zinc/45/76/38/1073457638.db2.gz BYVMKHXEYFLFAV-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO COC1([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC001230219172 1073462091 /nfs/dbraw/zinc/46/20/91/1073462091.db2.gz RWCKFJQZJWJACU-INIZCTEOSA-N 1 2 433.575 -0.610 20 0 IBADLO COC1([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC001230219181 1073461898 /nfs/dbraw/zinc/46/18/98/1073461898.db2.gz RWCKFJQZJWJACU-MRXNPFEDSA-N 1 2 433.575 -0.610 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001230847881 1073467527 /nfs/dbraw/zinc/46/75/27/1073467527.db2.gz WDKFWSZHCIYIOI-ATZDWAIDSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001230847881 1073467518 /nfs/dbraw/zinc/46/75/18/1073467518.db2.gz WDKFWSZHCIYIOI-ATZDWAIDSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001230847882 1073467371 /nfs/dbraw/zinc/46/73/71/1073467371.db2.gz WDKFWSZHCIYIOI-IPELMVKDSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001230847882 1073467364 /nfs/dbraw/zinc/46/73/64/1073467364.db2.gz WDKFWSZHCIYIOI-IPELMVKDSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001230847883 1073467390 /nfs/dbraw/zinc/46/73/90/1073467390.db2.gz WDKFWSZHCIYIOI-KFKAGJAMSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001230847883 1073467382 /nfs/dbraw/zinc/46/73/82/1073467382.db2.gz WDKFWSZHCIYIOI-KFKAGJAMSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001230847884 1073467463 /nfs/dbraw/zinc/46/74/63/1073467463.db2.gz WDKFWSZHCIYIOI-LZQZEXGQSA-N 1 2 431.555 -0.362 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001230847884 1073467456 /nfs/dbraw/zinc/46/74/56/1073467456.db2.gz WDKFWSZHCIYIOI-LZQZEXGQSA-N 1 2 431.555 -0.362 20 0 IBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701255 1073468982 /nfs/dbraw/zinc/46/89/82/1073468982.db2.gz NZESNVROCSEMMI-UHFFFAOYSA-N 1 2 426.437 -0.486 20 0 IBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701255 1073468979 /nfs/dbraw/zinc/46/89/79/1073468979.db2.gz NZESNVROCSEMMI-UHFFFAOYSA-N 1 2 426.437 -0.486 20 0 IBADLO CC(C)CCN1C[C@@]23C[N@@H+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001231767654 1073469700 /nfs/dbraw/zinc/46/97/00/1073469700.db2.gz JWQPSFGMUSZFTF-GJYPPUQNSA-N 1 2 426.539 -0.513 20 0 IBADLO CC(C)CCN1C[C@@]23C[N@H+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001231767654 1073469697 /nfs/dbraw/zinc/46/96/97/1073469697.db2.gz JWQPSFGMUSZFTF-GJYPPUQNSA-N 1 2 426.539 -0.513 20 0 IBADLO CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231767970 1073469687 /nfs/dbraw/zinc/46/96/87/1073469687.db2.gz NMKBWXCCRFDMHX-UHFFFAOYSA-N 1 2 430.509 -0.291 20 0 IBADLO CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231767970 1073469684 /nfs/dbraw/zinc/46/96/84/1073469684.db2.gz NMKBWXCCRFDMHX-UHFFFAOYSA-N 1 2 430.509 -0.291 20 0 IBADLO Cn1cc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)CC4CC4)nc3C2)c(=O)n(C)c1=O ZINC001231767988 1073469655 /nfs/dbraw/zinc/46/96/55/1073469655.db2.gz BIAPPZFWEWIXCX-UHFFFAOYSA-N 1 2 428.493 -0.537 20 0 IBADLO Cn1cc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)CC4CC4)nc3C2)c(=O)n(C)c1=O ZINC001231767988 1073469651 /nfs/dbraw/zinc/46/96/51/1073469651.db2.gz BIAPPZFWEWIXCX-UHFFFAOYSA-N 1 2 428.493 -0.537 20 0 IBADLO Cn1cc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)N4CCCC4)nc3C2)c(=O)n(C)c1=O ZINC001231768008 1073469720 /nfs/dbraw/zinc/46/97/20/1073469720.db2.gz BQTCVLOAHOJZSR-UHFFFAOYSA-N 1 2 443.508 -0.648 20 0 IBADLO Cn1cc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)N4CCCC4)nc3C2)c(=O)n(C)c1=O ZINC001231768008 1073469715 /nfs/dbraw/zinc/46/97/15/1073469715.db2.gz BQTCVLOAHOJZSR-UHFFFAOYSA-N 1 2 443.508 -0.648 20 0 IBADLO Cn1cc(C[N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)c(=O)n(C)c1=O ZINC001231768151 1073469738 /nfs/dbraw/zinc/46/97/38/1073469738.db2.gz OVWMRUDIQYDRQF-UWVAXJGDSA-N 1 2 447.517 -0.964 20 0 IBADLO Cn1cc(C[N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)c(=O)n(C)c1=O ZINC001231768151 1073469736 /nfs/dbraw/zinc/46/97/36/1073469736.db2.gz OVWMRUDIQYDRQF-UWVAXJGDSA-N 1 2 447.517 -0.964 20 0 IBADLO Cn1cc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)c(=O)n(C)c1=O ZINC001231768809 1073469583 /nfs/dbraw/zinc/46/95/83/1073469583.db2.gz KRBLAGSKPGVTAH-UHFFFAOYSA-N 1 2 440.460 -0.430 20 0 IBADLO Cn1cc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)c(=O)n(C)c1=O ZINC001231768809 1073469576 /nfs/dbraw/zinc/46/95/76/1073469576.db2.gz KRBLAGSKPGVTAH-UHFFFAOYSA-N 1 2 440.460 -0.430 20 0 IBADLO Cn1cc(C[N@H+]2C[C@@H]3c4nc(N5CCCC5)ncc4CS(=O)(=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768923 1073469767 /nfs/dbraw/zinc/46/97/67/1073469767.db2.gz XLJQHHICSVKALF-JKSUJKDBSA-N 1 2 446.533 -0.629 20 0 IBADLO Cn1cc(C[N@@H+]2C[C@@H]3c4nc(N5CCCC5)ncc4CS(=O)(=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768923 1073469761 /nfs/dbraw/zinc/46/97/61/1073469761.db2.gz XLJQHHICSVKALF-JKSUJKDBSA-N 1 2 446.533 -0.629 20 0 IBADLO Cn1cc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)C4CCC4)nc3C2)c(=O)n(C)c1=O ZINC001231769556 1073470479 /nfs/dbraw/zinc/47/04/79/1073470479.db2.gz RJOBNQNWZCPDPA-UHFFFAOYSA-N 1 2 428.493 -0.537 20 0 IBADLO Cn1cc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)C4CCC4)nc3C2)c(=O)n(C)c1=O ZINC001231769556 1073470475 /nfs/dbraw/zinc/47/04/75/1073470475.db2.gz RJOBNQNWZCPDPA-UHFFFAOYSA-N 1 2 428.493 -0.537 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC001231773421 1073471298 /nfs/dbraw/zinc/47/12/98/1073471298.db2.gz KIVXBRQNEFHMEX-INIZCTEOSA-N 1 2 428.449 -0.123 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC001231773421 1073471295 /nfs/dbraw/zinc/47/12/95/1073471295.db2.gz KIVXBRQNEFHMEX-INIZCTEOSA-N 1 2 428.449 -0.123 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC001231773441 1073471221 /nfs/dbraw/zinc/47/12/21/1073471221.db2.gz KIVXBRQNEFHMEX-MRXNPFEDSA-N 1 2 428.449 -0.123 20 0 IBADLO CCOC(=O)c1cnn2c1nccc2[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC001231773441 1073471217 /nfs/dbraw/zinc/47/12/17/1073471217.db2.gz KIVXBRQNEFHMEX-MRXNPFEDSA-N 1 2 428.449 -0.123 20 0 IBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC001231836433 1073471373 /nfs/dbraw/zinc/47/13/73/1073471373.db2.gz SMWOFPQGHIOLIR-BHIYHBOVSA-N 1 2 427.509 -0.016 20 0 IBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC001231836433 1073471368 /nfs/dbraw/zinc/47/13/68/1073471368.db2.gz SMWOFPQGHIOLIR-BHIYHBOVSA-N 1 2 427.509 -0.016 20 0 IBADLO COc1ncnc(OC)c1C[N@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001232514069 1073471200 /nfs/dbraw/zinc/47/12/00/1073471200.db2.gz CJVCIPWZNWHPPO-UKRRQHHQSA-N 1 2 427.527 -0.192 20 0 IBADLO COc1ncnc(OC)c1C[N@@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001232514069 1073471190 /nfs/dbraw/zinc/47/11/90/1073471190.db2.gz CJVCIPWZNWHPPO-UKRRQHHQSA-N 1 2 427.527 -0.192 20 0 IBADLO CCOC(=O)c1nc[nH]c1C[N@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001232916199 1073471393 /nfs/dbraw/zinc/47/13/93/1073471393.db2.gz SXMXIOMZJMIBCI-UKRRQHHQSA-N 1 2 427.527 -0.099 20 0 IBADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001232916199 1073471388 /nfs/dbraw/zinc/47/13/88/1073471388.db2.gz SXMXIOMZJMIBCI-UKRRQHHQSA-N 1 2 427.527 -0.099 20 0 IBADLO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)cc1S(N)(=O)=O ZINC001233302499 1073471959 /nfs/dbraw/zinc/47/19/59/1073471959.db2.gz PWCRUCWTHXGKRA-BFYDXBDKSA-N 1 2 425.507 -0.067 20 0 IBADLO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)cc1S(N)(=O)=O ZINC001233302499 1073471952 /nfs/dbraw/zinc/47/19/52/1073471952.db2.gz PWCRUCWTHXGKRA-BFYDXBDKSA-N 1 2 425.507 -0.067 20 0 IBADLO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001233771534 1073472761 /nfs/dbraw/zinc/47/27/61/1073472761.db2.gz MEIPKQRUJSNBLS-INIZCTEOSA-N 1 2 435.554 -0.035 20 0 IBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001233771534 1073472739 /nfs/dbraw/zinc/47/27/39/1073472739.db2.gz MEIPKQRUJSNBLS-INIZCTEOSA-N 1 2 435.554 -0.035 20 0 IBADLO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001233771536 1073472893 /nfs/dbraw/zinc/47/28/93/1073472893.db2.gz MEIPKQRUJSNBLS-MRXNPFEDSA-N 1 2 435.554 -0.035 20 0 IBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001233771536 1073472891 /nfs/dbraw/zinc/47/28/91/1073472891.db2.gz MEIPKQRUJSNBLS-MRXNPFEDSA-N 1 2 435.554 -0.035 20 0 IBADLO CS(C)(=O)=NC(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001234130723 1073474180 /nfs/dbraw/zinc/47/41/80/1073474180.db2.gz KZTFPSGXLOVRMM-UHFFFAOYSA-N 1 2 425.515 -0.601 20 0 IBADLO CS(C)(=O)=NC(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001234130723 1073474175 /nfs/dbraw/zinc/47/41/75/1073474175.db2.gz KZTFPSGXLOVRMM-UHFFFAOYSA-N 1 2 425.515 -0.601 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001235497398 1073477965 /nfs/dbraw/zinc/47/79/65/1073477965.db2.gz IRBIRRNCKJRXGA-NFBUACBFSA-N 1 2 435.525 -0.597 20 0 IBADLO COC(=O)c1cc(C[N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nn1C ZINC001237563757 1073482605 /nfs/dbraw/zinc/48/26/05/1073482605.db2.gz MJLZERYBNZEWIZ-CZUORRHYSA-N 1 2 427.527 -0.479 20 0 IBADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nn1C ZINC001237563757 1073482601 /nfs/dbraw/zinc/48/26/01/1073482601.db2.gz MJLZERYBNZEWIZ-CZUORRHYSA-N 1 2 427.527 -0.479 20 0 IBADLO O=S(=O)(Nc1ccccc1S(=O)(=O)N1CCN(CCO)CC1)C1CC[NH2+]CC1 ZINC001237647609 1073482545 /nfs/dbraw/zinc/48/25/45/1073482545.db2.gz XRMKLRDNXHTOOI-UHFFFAOYSA-N 1 2 432.568 -0.521 20 0 IBADLO O=S(=O)(NC[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238109490 1073482859 /nfs/dbraw/zinc/48/28/59/1073482859.db2.gz WEUPSYUXDMFETE-LBPRGKRZSA-N 1 2 425.479 -0.017 20 0 IBADLO CCOC(=O)c1sc(S(=O)(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)nc1C ZINC001238121983 1073483662 /nfs/dbraw/zinc/48/36/62/1073483662.db2.gz DEUMTYPSTHYBGB-UHFFFAOYSA-N 1 2 426.542 -0.858 20 0 IBADLO O=S(=O)(N[C@H]1CC[NH2+]CC1(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238455832 1073486377 /nfs/dbraw/zinc/48/63/77/1073486377.db2.gz KUYALSUVMJDVNW-AWEZNQCLSA-N 1 2 425.479 -0.017 20 0 IBADLO O=S(=O)(N[C@@H]1CC[NH2+]CC1(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238455837 1073486336 /nfs/dbraw/zinc/48/63/36/1073486336.db2.gz KUYALSUVMJDVNW-CQSZACIVSA-N 1 2 425.479 -0.017 20 0 IBADLO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)NC[C@H]([NH3+])C(=O)OC ZINC001238581786 1073487783 /nfs/dbraw/zinc/48/77/83/1073487783.db2.gz JQZUZBUVTZXJIM-ZDUSSCGKSA-N 1 2 430.483 -0.272 20 0 IBADLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238895493 1073489872 /nfs/dbraw/zinc/48/98/72/1073489872.db2.gz JNPSSTOFWXAGSF-HNNXBMFYSA-N 1 2 449.551 -0.345 20 0 IBADLO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N1CC[NH2+][C@@H](CO)C1 ZINC001239088364 1073495195 /nfs/dbraw/zinc/49/51/95/1073495195.db2.gz SOJCKRXARKQZBZ-OAHLLOKOSA-N 1 2 428.511 -0.096 20 0 IBADLO COC(=O)C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239095091 1073495083 /nfs/dbraw/zinc/49/50/83/1073495083.db2.gz SFEJDKZGHSADAA-AWEZNQCLSA-N 1 2 447.535 -0.767 20 0 IBADLO COC(=O)C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239095092 1073495149 /nfs/dbraw/zinc/49/51/49/1073495149.db2.gz SFEJDKZGHSADAA-CQSZACIVSA-N 1 2 447.535 -0.767 20 0 IBADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001245973845 1073499843 /nfs/dbraw/zinc/49/98/43/1073499843.db2.gz RDQICWLKPUPECJ-HKUYNNGSSA-N 1 2 430.571 -0.618 20 0 IBADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001245973861 1073499834 /nfs/dbraw/zinc/49/98/34/1073499834.db2.gz RDQICWLKPUPECJ-IEBWSBKVSA-N 1 2 430.571 -0.618 20 0 IBADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001245973864 1073499809 /nfs/dbraw/zinc/49/98/09/1073499809.db2.gz RDQICWLKPUPECJ-MJGOQNOKSA-N 1 2 430.571 -0.618 20 0 IBADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001245973866 1073499731 /nfs/dbraw/zinc/49/97/31/1073499731.db2.gz RDQICWLKPUPECJ-PKOBYXMFSA-N 1 2 430.571 -0.618 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=S)NCCC[S@@](C)=O)CC2 ZINC001246420487 1073509844 /nfs/dbraw/zinc/50/98/44/1073509844.db2.gz XVLXPGKFPODDFF-MUUNZHRXSA-N 1 2 426.612 -0.191 20 0 IBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=S)NCCC[S@](C)=O)CC2 ZINC001246420488 1073510017 /nfs/dbraw/zinc/51/00/17/1073510017.db2.gz XVLXPGKFPODDFF-NDEPHWFRSA-N 1 2 426.612 -0.191 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724064 1073517706 /nfs/dbraw/zinc/51/77/06/1073517706.db2.gz WOKJEMQHLYWEOI-MAODMQOUSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724064 1073517696 /nfs/dbraw/zinc/51/76/96/1073517696.db2.gz WOKJEMQHLYWEOI-MAODMQOUSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724067 1073518492 /nfs/dbraw/zinc/51/84/92/1073518492.db2.gz WOKJEMQHLYWEOI-ORYQWCPZSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724067 1073518482 /nfs/dbraw/zinc/51/84/82/1073518482.db2.gz WOKJEMQHLYWEOI-ORYQWCPZSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724071 1073518037 /nfs/dbraw/zinc/51/80/37/1073518037.db2.gz WOKJEMQHLYWEOI-TYCQWZJGSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724071 1073518021 /nfs/dbraw/zinc/51/80/21/1073518021.db2.gz WOKJEMQHLYWEOI-TYCQWZJGSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724076 1073518222 /nfs/dbraw/zinc/51/82/22/1073518222.db2.gz WOKJEMQHLYWEOI-ZLGUVYLKSA-N 1 2 432.525 -0.257 20 0 IBADLO CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CN1 ZINC001246724076 1073518210 /nfs/dbraw/zinc/51/82/10/1073518210.db2.gz WOKJEMQHLYWEOI-ZLGUVYLKSA-N 1 2 432.525 -0.257 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CCN1 ZINC001246730541 1073519241 /nfs/dbraw/zinc/51/92/41/1073519241.db2.gz SZJPSCAOFHJVKX-JGLNRKDHSA-N 1 2 436.534 -0.268 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CCN1 ZINC001246730541 1073519232 /nfs/dbraw/zinc/51/92/32/1073519232.db2.gz SZJPSCAOFHJVKX-JGLNRKDHSA-N 1 2 436.534 -0.268 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CCN1 ZINC001246730543 1073519074 /nfs/dbraw/zinc/51/90/74/1073519074.db2.gz SZJPSCAOFHJVKX-STEXWYFWSA-N 1 2 436.534 -0.268 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CCN1 ZINC001246730543 1073519064 /nfs/dbraw/zinc/51/90/64/1073519064.db2.gz SZJPSCAOFHJVKX-STEXWYFWSA-N 1 2 436.534 -0.268 20 0 IBADLO CN(C)C(=O)CN1C[C@H]2CCN([C@@H]3C[NH2+][C@H](C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001246759071 1073521914 /nfs/dbraw/zinc/52/19/14/1073521914.db2.gz KHQZWNKPHDLHAL-LTIDMASMSA-N 1 2 444.598 -0.127 20 0 IBADLO CN(C)C(=O)CN1C[C@H]2CCN([C@H]3C[NH2+][C@H](C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001246759143 1073521608 /nfs/dbraw/zinc/52/16/08/1073521608.db2.gz KHQZWNKPHDLHAL-WCXIOVBPSA-N 1 2 444.598 -0.127 20 0 IBADLO COC(=O)[C@H]1C[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CN1 ZINC001246764867 1073523086 /nfs/dbraw/zinc/52/30/86/1073523086.db2.gz RBYWAMLXZZJTLZ-CLCXKQKWSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CN1 ZINC001246764913 1073523113 /nfs/dbraw/zinc/52/31/13/1073523113.db2.gz RBYWAMLXZZJTLZ-DOXZYTNZSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CN1 ZINC001246764915 1073523290 /nfs/dbraw/zinc/52/32/90/1073523290.db2.gz RBYWAMLXZZJTLZ-KHYOSLBOSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CN1 ZINC001246764920 1073523160 /nfs/dbraw/zinc/52/31/60/1073523160.db2.gz RBYWAMLXZZJTLZ-QMTMVMCOSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@H]1C[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CN1 ZINC001246764924 1073523138 /nfs/dbraw/zinc/52/31/38/1073523138.db2.gz RBYWAMLXZZJTLZ-SPYBWZPUSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CN1 ZINC001246764928 1073523027 /nfs/dbraw/zinc/52/30/27/1073523027.db2.gz RBYWAMLXZZJTLZ-VCBZYWHSSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CN1 ZINC001246764933 1073523241 /nfs/dbraw/zinc/52/32/41/1073523241.db2.gz RBYWAMLXZZJTLZ-YZVOILCLSA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CN1 ZINC001246764938 1073523318 /nfs/dbraw/zinc/52/33/18/1073523318.db2.gz RBYWAMLXZZJTLZ-ZRGWGRIASA-N 1 2 428.555 -0.904 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)CCN1 ZINC001246766464 1073523058 /nfs/dbraw/zinc/52/30/58/1073523058.db2.gz BITPMSSNKQNOEM-CVEARBPZSA-N 1 2 443.508 -0.594 20 0 IBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)CCN1 ZINC001246766464 1073523046 /nfs/dbraw/zinc/52/30/46/1073523046.db2.gz BITPMSSNKQNOEM-CVEARBPZSA-N 1 2 443.508 -0.594 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)CCN1 ZINC001246766465 1073523895 /nfs/dbraw/zinc/52/38/95/1073523895.db2.gz BITPMSSNKQNOEM-HOTGVXAUSA-N 1 2 443.508 -0.594 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)CCN1 ZINC001246766465 1073523881 /nfs/dbraw/zinc/52/38/81/1073523881.db2.gz BITPMSSNKQNOEM-HOTGVXAUSA-N 1 2 443.508 -0.594 20 0 IBADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CN1 ZINC001246829119 1073525126 /nfs/dbraw/zinc/52/51/26/1073525126.db2.gz AGLFBHCGLVZXSM-QAETUUGQSA-N 1 2 439.557 -0.733 20 0 IBADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CN1 ZINC001246829119 1073525121 /nfs/dbraw/zinc/52/51/21/1073525121.db2.gz AGLFBHCGLVZXSM-QAETUUGQSA-N 1 2 439.557 -0.733 20 0 IBADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CN1 ZINC001246829123 1073525162 /nfs/dbraw/zinc/52/51/62/1073525162.db2.gz AGLFBHCGLVZXSM-QZWWFDLISA-N 1 2 439.557 -0.733 20 0 IBADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CN1 ZINC001246829123 1073525154 /nfs/dbraw/zinc/52/51/54/1073525154.db2.gz AGLFBHCGLVZXSM-QZWWFDLISA-N 1 2 439.557 -0.733 20 0 IBADLO CCOC1CC(CNC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)([NH+]2CCOCC2)C1 ZINC001248107842 1073530230 /nfs/dbraw/zinc/53/02/30/1073530230.db2.gz FIFMFBJEOZVGQX-UHFFFAOYSA-N 1 2 439.557 -0.364 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001248619805 1073535184 /nfs/dbraw/zinc/53/51/84/1073535184.db2.gz FXAZLAVCEABFSS-GJZGRUSLSA-N 1 2 434.559 -0.224 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001248619805 1073535181 /nfs/dbraw/zinc/53/51/81/1073535181.db2.gz FXAZLAVCEABFSS-GJZGRUSLSA-N 1 2 434.559 -0.224 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001248619806 1073535211 /nfs/dbraw/zinc/53/52/11/1073535211.db2.gz FXAZLAVCEABFSS-LSDHHAIUSA-N 1 2 434.559 -0.224 20 0 IBADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001248619806 1073535208 /nfs/dbraw/zinc/53/52/08/1073535208.db2.gz FXAZLAVCEABFSS-LSDHHAIUSA-N 1 2 434.559 -0.224 20 0 IBADLO CN(Cc1nnc2n1CCC2)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001248699900 1073536254 /nfs/dbraw/zinc/53/62/54/1073536254.db2.gz XJSVXWYWDZGRQS-UHFFFAOYSA-N 1 2 448.553 -0.087 20 0 IBADLO Cc1nonc1C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001248857759 1073537411 /nfs/dbraw/zinc/53/74/11/1073537411.db2.gz OKUXVHHFRLGDAG-AEFFLSMTSA-N 1 2 427.527 -0.147 20 0 IBADLO Cc1nonc1C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001248857759 1073537402 /nfs/dbraw/zinc/53/74/02/1073537402.db2.gz OKUXVHHFRLGDAG-AEFFLSMTSA-N 1 2 427.527 -0.147 20 0 IBADLO CCOC(=O)c1cc(C[N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nn1C ZINC001250546598 1073538041 /nfs/dbraw/zinc/53/80/41/1073538041.db2.gz NLRHCKHEMGXNTK-RHSMWYFYSA-N 1 2 441.554 -0.089 20 0 IBADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nn1C ZINC001250546598 1073538029 /nfs/dbraw/zinc/53/80/29/1073538029.db2.gz NLRHCKHEMGXNTK-RHSMWYFYSA-N 1 2 441.554 -0.089 20 0 IBADLO O=C(NCc1cc(=O)n2c(n1)CN(C[C@H](O)C[NH+]1CCOCC1)CCC2)N1CCCC1 ZINC001251015754 1073539907 /nfs/dbraw/zinc/53/99/07/1073539907.db2.gz HMRXNTUBOGHZJZ-GOSISDBHSA-N 1 2 434.541 -0.553 20 0 IBADLO O=C(NCc1cc(=O)n2c(n1)CN(C[C@@H](O)C[NH+]1CCOCC1)CCC2)N1CCCC1 ZINC001251015755 1073540260 /nfs/dbraw/zinc/54/02/60/1073540260.db2.gz HMRXNTUBOGHZJZ-SFHVURJKSA-N 1 2 434.541 -0.553 20 0 IBADLO O=C(NCc1cc(=O)n2c(n1)CN(C[C@@H](O)C[NH+]1CCOCC1)CCC2)c1ccco1 ZINC001251016891 1073540722 /nfs/dbraw/zinc/54/07/22/1073540722.db2.gz MRKCXXPVTVRHHX-KRWDZBQOSA-N 1 2 431.493 -0.335 20 0 IBADLO O=C(NCc1cc(=O)n2c(n1)CN(C[C@H](O)C[NH+]1CCOCC1)CCC2)c1ccco1 ZINC001251016892 1073540916 /nfs/dbraw/zinc/54/09/16/1073540916.db2.gz MRKCXXPVTVRHHX-QGZVFWFLSA-N 1 2 431.493 -0.335 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@@H](O)CN4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018737 1073540834 /nfs/dbraw/zinc/54/08/34/1073540834.db2.gz ZNZBVHJEPLSNJW-YRPNKDGESA-N 1 2 438.550 -0.868 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@@H](O)CN4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018737 1073540819 /nfs/dbraw/zinc/54/08/19/1073540819.db2.gz ZNZBVHJEPLSNJW-YRPNKDGESA-N 1 2 438.550 -0.868 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3CN(C[C@@H](O)C[NH+]4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018737 1073540802 /nfs/dbraw/zinc/54/08/02/1073540802.db2.gz ZNZBVHJEPLSNJW-YRPNKDGESA-N 1 2 438.550 -0.868 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@H](O)CN4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018751 1073540956 /nfs/dbraw/zinc/54/09/56/1073540956.db2.gz ZNZBVHJEPLSNJW-ZRNYENFQSA-N 1 2 438.550 -0.868 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@H](O)CN4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018751 1073540948 /nfs/dbraw/zinc/54/09/48/1073540948.db2.gz ZNZBVHJEPLSNJW-ZRNYENFQSA-N 1 2 438.550 -0.868 20 0 IBADLO O=S1(=O)[C@H]2C[C@@H]3CN(C[C@H](O)C[NH+]4CCOCC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001251018751 1073540936 /nfs/dbraw/zinc/54/09/36/1073540936.db2.gz ZNZBVHJEPLSNJW-ZRNYENFQSA-N 1 2 438.550 -0.868 20 0 IBADLO O=S(=O)(c1ccccc1NC[C@H](O)C[NH+]1CCOCC1)N1CCN(CCO)CC1 ZINC001251026189 1073540621 /nfs/dbraw/zinc/54/06/21/1073540621.db2.gz CLTIEIAJWSLBMF-KRWDZBQOSA-N 1 2 428.555 -0.910 20 0 IBADLO O=S(=O)(c1ccccc1NC[C@@H](O)C[NH+]1CCOCC1)N1CCN(CCO)CC1 ZINC001251026191 1073541051 /nfs/dbraw/zinc/54/10/51/1073541051.db2.gz CLTIEIAJWSLBMF-QGZVFWFLSA-N 1 2 428.555 -0.910 20 0 IBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(N)=O)NC[C@H](O)C[NH+]3CCOCC3)ccc12 ZINC001251041372 1073541796 /nfs/dbraw/zinc/54/17/96/1073541796.db2.gz IDUQKXCGKNLQOT-RDJZCZTQSA-N 1 2 432.477 -0.433 20 0 IBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(N)=O)NC[C@@H](O)C[NH+]3CCOCC3)ccc12 ZINC001251041378 1073541710 /nfs/dbraw/zinc/54/17/10/1073541710.db2.gz IDUQKXCGKNLQOT-WBVHZDCISA-N 1 2 432.477 -0.433 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001251180725 1073543474 /nfs/dbraw/zinc/54/34/74/1073543474.db2.gz DDOPQIXXHVRDGQ-UHFFFAOYSA-N 1 2 429.499 -0.720 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001251180725 1073543467 /nfs/dbraw/zinc/54/34/67/1073543467.db2.gz DDOPQIXXHVRDGQ-UHFFFAOYSA-N 1 2 429.499 -0.720 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001251181405 1073543667 /nfs/dbraw/zinc/54/36/67/1073543667.db2.gz PHCCZPVHUCTIBY-UHFFFAOYSA-N 1 2 445.567 -0.084 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cs1 ZINC001251181405 1073543657 /nfs/dbraw/zinc/54/36/57/1073543657.db2.gz PHCCZPVHUCTIBY-UHFFFAOYSA-N 1 2 445.567 -0.084 20 0 IBADLO NC(=O)C1CCN(C(=O)C2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001251181482 1073543372 /nfs/dbraw/zinc/54/33/72/1073543372.db2.gz RDASYAPQPNOYFM-UHFFFAOYSA-N 1 2 437.541 -0.419 20 0 IBADLO NC(=O)C1CCN(C(=O)C2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001251181482 1073543356 /nfs/dbraw/zinc/54/33/56/1073543356.db2.gz RDASYAPQPNOYFM-UHFFFAOYSA-N 1 2 437.541 -0.419 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001251181959 1073543568 /nfs/dbraw/zinc/54/35/68/1073543568.db2.gz ZSFRHHAPVZKUNH-INIZCTEOSA-N 1 2 434.559 -0.483 20 0 IBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001251181959 1073543561 /nfs/dbraw/zinc/54/35/61/1073543561.db2.gz ZSFRHHAPVZKUNH-INIZCTEOSA-N 1 2 434.559 -0.483 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001251181960 1073543609 /nfs/dbraw/zinc/54/36/09/1073543609.db2.gz ZSFRHHAPVZKUNH-MRXNPFEDSA-N 1 2 434.559 -0.483 20 0 IBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001251181960 1073543597 /nfs/dbraw/zinc/54/35/97/1073543597.db2.gz ZSFRHHAPVZKUNH-MRXNPFEDSA-N 1 2 434.559 -0.483 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001251457331 1073547103 /nfs/dbraw/zinc/54/71/03/1073547103.db2.gz BRKVLXOULYMOFM-IFXJQAMLSA-N 1 2 425.486 -0.127 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001251457331 1073547093 /nfs/dbraw/zinc/54/70/93/1073547093.db2.gz BRKVLXOULYMOFM-IFXJQAMLSA-N 1 2 425.486 -0.127 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001251457332 1073547061 /nfs/dbraw/zinc/54/70/61/1073547061.db2.gz BRKVLXOULYMOFM-LIRRHRJNSA-N 1 2 425.486 -0.127 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001251457332 1073547046 /nfs/dbraw/zinc/54/70/46/1073547046.db2.gz BRKVLXOULYMOFM-LIRRHRJNSA-N 1 2 425.486 -0.127 20 0 IBADLO Cc1nc2ccccn2c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001251514058 1073547674 /nfs/dbraw/zinc/54/76/74/1073547674.db2.gz ZXHDDNQBVVYWKD-UHFFFAOYSA-N 1 2 435.554 -0.038 20 0 IBADLO CN(C(=O)c1ccc(S(N)(=O)=O)o1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001251678090 1073549324 /nfs/dbraw/zinc/54/93/24/1073549324.db2.gz MHVHFHNYDKZRTQ-UHFFFAOYSA-N 1 2 427.527 -0.763 20 0 IBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001251743180 1073551078 /nfs/dbraw/zinc/55/10/78/1073551078.db2.gz HUMIEHWXFLVXHS-UHFFFAOYSA-N 1 2 438.616 -0.049 20 0 IBADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001251807629 1073552342 /nfs/dbraw/zinc/55/23/42/1073552342.db2.gz JKUBWXSQBCNUKV-UHFFFAOYSA-N 1 2 428.477 -0.001 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)(=O)CC1 ZINC001251807729 1073552332 /nfs/dbraw/zinc/55/23/32/1073552332.db2.gz MIYKLSWDGSFPHG-UHFFFAOYSA-N 1 2 430.552 -0.526 20 0 IBADLO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)C[N@@H+]1C[C@H](O)CO)N1CCC(F)(F)C1 ZINC001252062248 1073555169 /nfs/dbraw/zinc/55/51/69/1073555169.db2.gz GUDWQOUJDJLTBV-ULQDDVLXSA-N 1 2 440.495 -0.738 20 0 IBADLO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)C[N@H+]1C[C@H](O)CO)N1CCC(F)(F)C1 ZINC001252062248 1073555160 /nfs/dbraw/zinc/55/51/60/1073555160.db2.gz GUDWQOUJDJLTBV-ULQDDVLXSA-N 1 2 440.495 -0.738 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001252122776 1073555751 /nfs/dbraw/zinc/55/57/51/1073555751.db2.gz PNSTWNQQQRUICE-CYBMUJFWSA-N 1 2 449.599 -0.671 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001252122786 1073555729 /nfs/dbraw/zinc/55/57/29/1073555729.db2.gz PNSTWNQQQRUICE-ZDUSSCGKSA-N 1 2 449.599 -0.671 20 0 IBADLO CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1SC ZINC001252251998 1073556483 /nfs/dbraw/zinc/55/64/83/1073556483.db2.gz SRCZIBZKLGUIPP-OAGGEKHMSA-N 1 2 435.616 -0.285 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001252411269 1073557549 /nfs/dbraw/zinc/55/75/49/1073557549.db2.gz XLLJIAAQZRXQBY-DOTOQJQBSA-N 1 2 446.508 -0.774 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001252411273 1073557607 /nfs/dbraw/zinc/55/76/07/1073557607.db2.gz XLLJIAAQZRXQBY-NVXWUHKLSA-N 1 2 446.508 -0.774 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001252411274 1073557988 /nfs/dbraw/zinc/55/79/88/1073557988.db2.gz XLLJIAAQZRXQBY-RDJZCZTQSA-N 1 2 446.508 -0.774 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001252411275 1073557947 /nfs/dbraw/zinc/55/79/47/1073557947.db2.gz XLLJIAAQZRXQBY-WBVHZDCISA-N 1 2 446.508 -0.774 20 0 IBADLO COC(=O)[C@H](O)C[NH2+]C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC001252440958 1073558334 /nfs/dbraw/zinc/55/83/34/1073558334.db2.gz VKDYTQRCEJZEMK-CYBMUJFWSA-N 1 2 436.440 -0.086 20 0 IBADLO COC(=O)[C@@H](O)C[NH2+]C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC001252440959 1073558417 /nfs/dbraw/zinc/55/84/17/1073558417.db2.gz VKDYTQRCEJZEMK-ZDUSSCGKSA-N 1 2 436.440 -0.086 20 0 IBADLO COC(=O)N1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001252496035 1073559636 /nfs/dbraw/zinc/55/96/36/1073559636.db2.gz RSTHPEHAIJYPEN-UHFFFAOYSA-N 1 2 443.526 -0.102 20 0 IBADLO COC(=O)N1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001252496035 1073559623 /nfs/dbraw/zinc/55/96/23/1073559623.db2.gz RSTHPEHAIJYPEN-UHFFFAOYSA-N 1 2 443.526 -0.102 20 0 IBADLO NC(=O)N1CCN2C(=O)N(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C(=O)[C@@H]2C1 ZINC001252560349 1073560108 /nfs/dbraw/zinc/56/01/08/1073560108.db2.gz UKYPCBIEUQJMTK-INIZCTEOSA-N 1 2 430.465 -0.516 20 0 IBADLO NC(=O)N1CCN2C(=O)N(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C(=O)[C@H]2C1 ZINC001252560350 1073560085 /nfs/dbraw/zinc/56/00/85/1073560085.db2.gz UKYPCBIEUQJMTK-MRXNPFEDSA-N 1 2 430.465 -0.516 20 0 IBADLO COc1c(F)cc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1S(N)(=O)=O ZINC001252587920 1073560812 /nfs/dbraw/zinc/56/08/12/1073560812.db2.gz DQFDNDJHXMDGBJ-UHFFFAOYSA-N 1 2 426.474 -0.540 20 0 IBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)ccc21 ZINC001252590576 1073560676 /nfs/dbraw/zinc/56/06/76/1073560676.db2.gz WALFLQNANTXHJH-UHFFFAOYSA-N 1 2 425.493 -0.239 20 0 IBADLO COc1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741738 1073562091 /nfs/dbraw/zinc/56/20/91/1073562091.db2.gz GBIJKZRNIYEDSK-MNEFBYGVSA-N 1 2 431.493 -0.165 20 0 IBADLO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741739 1073562127 /nfs/dbraw/zinc/56/21/27/1073562127.db2.gz GBIJKZRNIYEDSK-SNRMKQJTSA-N 1 2 431.493 -0.165 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001252900219 1073564043 /nfs/dbraw/zinc/56/40/43/1073564043.db2.gz BZYKZMZZQZGZDD-HNNXBMFYSA-N 1 2 425.573 -0.996 20 0 IBADLO COCCN(C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001252900219 1073564025 /nfs/dbraw/zinc/56/40/25/1073564025.db2.gz BZYKZMZZQZGZDD-HNNXBMFYSA-N 1 2 425.573 -0.996 20 0 IBADLO COCCN(C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001252900220 1073563878 /nfs/dbraw/zinc/56/38/78/1073563878.db2.gz BZYKZMZZQZGZDD-OAHLLOKOSA-N 1 2 425.573 -0.996 20 0 IBADLO COCCN(C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001252900220 1073563866 /nfs/dbraw/zinc/56/38/66/1073563866.db2.gz BZYKZMZZQZGZDD-OAHLLOKOSA-N 1 2 425.573 -0.996 20 0 IBADLO COc1ccccc1OC[C@H](O)C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914226 1073563956 /nfs/dbraw/zinc/56/39/56/1073563956.db2.gz MNQNBOIPYSCDDG-IKGGRYGDSA-N 1 2 431.493 -0.165 20 0 IBADLO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914227 1073564104 /nfs/dbraw/zinc/56/41/04/1073564104.db2.gz MNQNBOIPYSCDDG-ULQDDVLXSA-N 1 2 431.493 -0.165 20 0 IBADLO CCN1C[C@@]23C[N@@H+](C[C@@H](O)COc4ccc(CCO)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001253140749 1073566102 /nfs/dbraw/zinc/56/61/02/1073566102.db2.gz XTLAWSSCMBETNL-LMCOJAPRSA-N 1 2 426.535 -0.162 20 0 IBADLO CCN1C[C@@]23C[N@H+](C[C@@H](O)COc4ccc(CCO)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001253140749 1073566087 /nfs/dbraw/zinc/56/60/87/1073566087.db2.gz XTLAWSSCMBETNL-LMCOJAPRSA-N 1 2 426.535 -0.162 20 0 IBADLO CCN1C[C@@]23C[N@@H+](C[C@H](O)COc4ccc(CCO)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001253140760 1073566040 /nfs/dbraw/zinc/56/60/40/1073566040.db2.gz XTLAWSSCMBETNL-RNQOJCNYSA-N 1 2 426.535 -0.162 20 0 IBADLO CCN1C[C@@]23C[N@H+](C[C@H](O)COc4ccc(CCO)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001253140760 1073566031 /nfs/dbraw/zinc/56/60/31/1073566031.db2.gz XTLAWSSCMBETNL-RNQOJCNYSA-N 1 2 426.535 -0.162 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174283 1073566651 /nfs/dbraw/zinc/56/66/51/1073566651.db2.gz VRNHUGARNFCTLL-HOJAQTOUSA-N 1 2 445.520 -0.639 20 0 IBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253174284 1073566857 /nfs/dbraw/zinc/56/68/57/1073566857.db2.gz VRNHUGARNFCTLL-IHPCNDPISA-N 1 2 445.520 -0.639 20 0 IBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001253312539 1073567862 /nfs/dbraw/zinc/56/78/62/1073567862.db2.gz MRRSYEVCGVZPFJ-UHFFFAOYSA-N 1 2 446.570 -0.404 20 0 IBADLO CN1CCN(C2C[NH+](C[C@@H](O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)CC1=O ZINC001253316737 1073568010 /nfs/dbraw/zinc/56/80/10/1073568010.db2.gz KEGVYIQBDJUEMN-KRWDZBQOSA-N 1 2 426.558 -0.042 20 0 IBADLO CN1CCN(C2C[NH+](C[C@H](O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)C2)CC1=O ZINC001253316747 1073567986 /nfs/dbraw/zinc/56/79/86/1073567986.db2.gz KEGVYIQBDJUEMN-QGZVFWFLSA-N 1 2 426.558 -0.042 20 0 IBADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001253442395 1073569120 /nfs/dbraw/zinc/56/91/20/1073569120.db2.gz LVHDDKYUXBYTGN-HHHXNRCGSA-N 1 2 430.596 -0.621 20 0 IBADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001253442397 1073569050 /nfs/dbraw/zinc/56/90/50/1073569050.db2.gz LVHDDKYUXBYTGN-MHZLTWQESA-N 1 2 430.596 -0.621 20 0 IBADLO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001253462936 1073569724 /nfs/dbraw/zinc/56/97/24/1073569724.db2.gz PFNOZTGNYSBSSG-CVEARBPZSA-N 1 2 449.526 -0.745 20 0 IBADLO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001253462939 1073569624 /nfs/dbraw/zinc/56/96/24/1073569624.db2.gz PFNOZTGNYSBSSG-HOTGVXAUSA-N 1 2 449.526 -0.745 20 0 IBADLO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001253462940 1073569668 /nfs/dbraw/zinc/56/96/68/1073569668.db2.gz PFNOZTGNYSBSSG-HZPDHXFCSA-N 1 2 449.526 -0.745 20 0 IBADLO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001253462941 1073569748 /nfs/dbraw/zinc/56/97/48/1073569748.db2.gz PFNOZTGNYSBSSG-JKSUJKDBSA-N 1 2 449.526 -0.745 20 0 IBADLO NC(=O)C([NH2+]C[C@@H](O)COc1ccc(Br)cc1Br)C(N)=O ZINC001253513790 1073570247 /nfs/dbraw/zinc/57/02/47/1073570247.db2.gz UBFPSNRQEPNYQP-SSDOTTSWSA-N 1 2 425.077 -0.120 20 0 IBADLO NC(=O)C([NH2+]C[C@H](O)COc1ccc(Br)cc1Br)C(N)=O ZINC001253513791 1073570215 /nfs/dbraw/zinc/57/02/15/1073570215.db2.gz UBFPSNRQEPNYQP-ZETCQYMHSA-N 1 2 425.077 -0.120 20 0 IBADLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001253679991 1073571422 /nfs/dbraw/zinc/57/14/22/1073571422.db2.gz UQMSCCSVODBDJX-KLHDSHLOSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001253679991 1073571416 /nfs/dbraw/zinc/57/14/16/1073571416.db2.gz UQMSCCSVODBDJX-KLHDSHLOSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001253679992 1073571338 /nfs/dbraw/zinc/57/13/38/1073571338.db2.gz UQMSCCSVODBDJX-LVQVYYBASA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001253679992 1073571327 /nfs/dbraw/zinc/57/13/27/1073571327.db2.gz UQMSCCSVODBDJX-LVQVYYBASA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001253680313 1073571249 /nfs/dbraw/zinc/57/12/49/1073571249.db2.gz UQMSCCSVODBDJX-XUWVNRHRSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001253680313 1073571236 /nfs/dbraw/zinc/57/12/36/1073571236.db2.gz UQMSCCSVODBDJX-XUWVNRHRSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001253680314 1073571451 /nfs/dbraw/zinc/57/14/51/1073571451.db2.gz UQMSCCSVODBDJX-ZJIFWQFVSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001253680314 1073571441 /nfs/dbraw/zinc/57/14/41/1073571441.db2.gz UQMSCCSVODBDJX-ZJIFWQFVSA-N 1 2 432.539 -0.717 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC001253682537 1073571304 /nfs/dbraw/zinc/57/13/04/1073571304.db2.gz BCRBGBQZGJVGDP-KKUMJFAQSA-N 1 2 428.530 -0.714 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC001253682537 1073571294 /nfs/dbraw/zinc/57/12/94/1073571294.db2.gz BCRBGBQZGJVGDP-KKUMJFAQSA-N 1 2 428.530 -0.714 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC001253682542 1073571527 /nfs/dbraw/zinc/57/15/27/1073571527.db2.gz BCRBGBQZGJVGDP-SOUVJXGZSA-N 1 2 428.530 -0.714 20 0 IBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC001253682542 1073571518 /nfs/dbraw/zinc/57/15/18/1073571518.db2.gz BCRBGBQZGJVGDP-SOUVJXGZSA-N 1 2 428.530 -0.714 20 0 IBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001253860115 1073573932 /nfs/dbraw/zinc/57/39/32/1073573932.db2.gz PYEOTYFGOMJCMY-IHRRRGAJSA-N 1 2 429.518 -0.097 20 0 IBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001253860115 1073573922 /nfs/dbraw/zinc/57/39/22/1073573922.db2.gz PYEOTYFGOMJCMY-IHRRRGAJSA-N 1 2 429.518 -0.097 20 0 IBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001253860116 1073573629 /nfs/dbraw/zinc/57/36/29/1073573629.db2.gz PYEOTYFGOMJCMY-MELADBBJSA-N 1 2 429.518 -0.097 20 0 IBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001253860116 1073573624 /nfs/dbraw/zinc/57/36/24/1073573624.db2.gz PYEOTYFGOMJCMY-MELADBBJSA-N 1 2 429.518 -0.097 20 0 IBADLO COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001253912188 1073574212 /nfs/dbraw/zinc/57/42/12/1073574212.db2.gz PISOGILXRTYYOE-UHFFFAOYSA-N 1 2 426.543 -0.548 20 0 IBADLO COc1cccc(OC[C@H](O)C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001253985560 1073575080 /nfs/dbraw/zinc/57/50/80/1073575080.db2.gz HBSULEBFLIWLET-MNEFBYGVSA-N 1 2 431.493 -0.165 20 0 IBADLO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001253985561 1073574808 /nfs/dbraw/zinc/57/48/08/1073574808.db2.gz HBSULEBFLIWLET-SNRMKQJTSA-N 1 2 431.493 -0.165 20 0 IBADLO C[N@@H+](Cc1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1)Cc1ccccc1 ZINC001254105471 1073577747 /nfs/dbraw/zinc/57/77/47/1073577747.db2.gz LSGSMFNSKKQSAP-PNYFIKQUSA-N 1 2 426.433 -0.537 20 0 IBADLO C[N@H+](Cc1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1)Cc1ccccc1 ZINC001254105471 1073577738 /nfs/dbraw/zinc/57/77/38/1073577738.db2.gz LSGSMFNSKKQSAP-PNYFIKQUSA-N 1 2 426.433 -0.537 20 0 IBADLO C[N@@H+](Cc1cn([C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)nn1)Cc1ccccc1 ZINC001254107429 1073578706 /nfs/dbraw/zinc/57/87/06/1073578706.db2.gz BUGNLIJYBPGAHP-NXWXRZEISA-N 1 2 428.449 -0.336 20 0 IBADLO C[N@H+](Cc1cn([C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)nn1)Cc1ccccc1 ZINC001254107429 1073578698 /nfs/dbraw/zinc/57/86/98/1073578698.db2.gz BUGNLIJYBPGAHP-NXWXRZEISA-N 1 2 428.449 -0.336 20 0 IBADLO C[N@@H+](Cc1cn(CCOCCOCCC(=O)NC(CO)CO)nn1)Cc1ccccc1 ZINC001254116350 1073581978 /nfs/dbraw/zinc/58/19/78/1073581978.db2.gz NKLGTQTYSSAVDP-UHFFFAOYSA-N 1 2 435.525 -0.197 20 0 IBADLO C[N@H+](Cc1cn(CCOCCOCCC(=O)NC(CO)CO)nn1)Cc1ccccc1 ZINC001254116350 1073581972 /nfs/dbraw/zinc/58/19/72/1073581972.db2.gz NKLGTQTYSSAVDP-UHFFFAOYSA-N 1 2 435.525 -0.197 20 0 IBADLO C[N@@H+](Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](F)[C@@H]2O)nn1)Cc1ccccc1 ZINC001254117374 1073582444 /nfs/dbraw/zinc/58/24/44/1073582444.db2.gz ZROOQXPWHZYEDM-AJYBTWMASA-N 1 2 446.439 -0.255 20 0 IBADLO C[N@H+](Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](F)[C@@H]2O)nn1)Cc1ccccc1 ZINC001254117374 1073582437 /nfs/dbraw/zinc/58/24/37/1073582437.db2.gz ZROOQXPWHZYEDM-AJYBTWMASA-N 1 2 446.439 -0.255 20 0 IBADLO C[N@@H+](Cc1cn([C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)nn1)Cc1ccccc1 ZINC001254152519 1073582721 /nfs/dbraw/zinc/58/27/21/1073582721.db2.gz FNILXFXHCVVLEN-NXWXRZEISA-N 1 2 427.465 -0.216 20 0 IBADLO C[N@H+](Cc1cn([C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)nn1)Cc1ccccc1 ZINC001254152519 1073582708 /nfs/dbraw/zinc/58/27/08/1073582708.db2.gz FNILXFXHCVVLEN-NXWXRZEISA-N 1 2 427.465 -0.216 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)CC1 ZINC001254352350 1073585519 /nfs/dbraw/zinc/58/55/19/1073585519.db2.gz SOGAMLHFEPBCJR-UHFFFAOYSA-N 1 2 440.464 -0.554 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001254362733 1073585702 /nfs/dbraw/zinc/58/57/02/1073585702.db2.gz LGSQQFYBNTVLAC-GOSISDBHSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001254362733 1073585696 /nfs/dbraw/zinc/58/56/96/1073585696.db2.gz LGSQQFYBNTVLAC-GOSISDBHSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001254362734 1073585734 /nfs/dbraw/zinc/58/57/34/1073585734.db2.gz LGSQQFYBNTVLAC-SFHVURJKSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001254362734 1073585721 /nfs/dbraw/zinc/58/57/21/1073585721.db2.gz LGSQQFYBNTVLAC-SFHVURJKSA-N 1 2 425.555 -0.013 20 0 IBADLO COC(=O)c1cn(C2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)nn1 ZINC001254768972 1073590729 /nfs/dbraw/zinc/59/07/29/1073590729.db2.gz PEMAOJJCDIDKDW-UHFFFAOYSA-N 1 2 442.542 -0.080 20 0 IBADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001255224813 1073594218 /nfs/dbraw/zinc/59/42/18/1073594218.db2.gz MGQLZLRZAHAQLW-GOSISDBHSA-N 1 2 435.525 -0.904 20 0 IBADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001255224824 1073594109 /nfs/dbraw/zinc/59/41/09/1073594109.db2.gz MGQLZLRZAHAQLW-SFHVURJKSA-N 1 2 435.525 -0.904 20 0 IBADLO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001255256361 1073594551 /nfs/dbraw/zinc/59/45/51/1073594551.db2.gz QUJMPAOMRTXSMX-GOSISDBHSA-N 1 2 428.555 -0.088 20 0 IBADLO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001255256371 1073594689 /nfs/dbraw/zinc/59/46/89/1073594689.db2.gz QUJMPAOMRTXSMX-SFHVURJKSA-N 1 2 428.555 -0.088 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392711 1073595649 /nfs/dbraw/zinc/59/56/49/1073595649.db2.gz KJNNQMACDLAYAK-BVPSZOQCSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392711 1073595638 /nfs/dbraw/zinc/59/56/38/1073595638.db2.gz KJNNQMACDLAYAK-BVPSZOQCSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392714 1073595403 /nfs/dbraw/zinc/59/54/03/1073595403.db2.gz KJNNQMACDLAYAK-DOQFWFFUSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392714 1073595389 /nfs/dbraw/zinc/59/53/89/1073595389.db2.gz KJNNQMACDLAYAK-DOQFWFFUSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392715 1073595522 /nfs/dbraw/zinc/59/55/22/1073595522.db2.gz KJNNQMACDLAYAK-MGYGNFHQSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392715 1073595510 /nfs/dbraw/zinc/59/55/10/1073595510.db2.gz KJNNQMACDLAYAK-MGYGNFHQSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392717 1073595681 /nfs/dbraw/zinc/59/56/81/1073595681.db2.gz KJNNQMACDLAYAK-UPGMHYFXSA-N 1 2 446.522 -0.742 20 0 IBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001255392717 1073595674 /nfs/dbraw/zinc/59/56/74/1073595674.db2.gz KJNNQMACDLAYAK-UPGMHYFXSA-N 1 2 446.522 -0.742 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC001255564920 1073596592 /nfs/dbraw/zinc/59/65/92/1073596592.db2.gz QOSBHCQHZPEBOE-UHFFFAOYSA-N 1 2 444.579 -0.127 20 0 IBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001255616311 1073597439 /nfs/dbraw/zinc/59/74/39/1073597439.db2.gz RUGITBJHOHKKNU-AWEZNQCLSA-N 1 2 443.526 -0.495 20 0 IBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001255616312 1073597340 /nfs/dbraw/zinc/59/73/40/1073597340.db2.gz RUGITBJHOHKKNU-CQSZACIVSA-N 1 2 443.526 -0.495 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001255683660 1073597898 /nfs/dbraw/zinc/59/78/98/1073597898.db2.gz FDSKECGVTKSBMU-KRWDZBQOSA-N 1 2 427.546 -0.696 20 0 IBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001255683660 1073597888 /nfs/dbraw/zinc/59/78/88/1073597888.db2.gz FDSKECGVTKSBMU-KRWDZBQOSA-N 1 2 427.546 -0.696 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001255683672 1073598097 /nfs/dbraw/zinc/59/80/97/1073598097.db2.gz FDSKECGVTKSBMU-QGZVFWFLSA-N 1 2 427.546 -0.696 20 0 IBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001255683672 1073598092 /nfs/dbraw/zinc/59/80/92/1073598092.db2.gz FDSKECGVTKSBMU-QGZVFWFLSA-N 1 2 427.546 -0.696 20 0 IBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001255684449 1073597979 /nfs/dbraw/zinc/59/79/79/1073597979.db2.gz JDWFFJDSXILDHA-UHFFFAOYSA-N 1 2 428.511 -0.197 20 0 IBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001255684449 1073597969 /nfs/dbraw/zinc/59/79/69/1073597969.db2.gz JDWFFJDSXILDHA-UHFFFAOYSA-N 1 2 428.511 -0.197 20 0 IBADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001255805944 1073598477 /nfs/dbraw/zinc/59/84/77/1073598477.db2.gz ZUVVKHSNNSCYAR-MNGYRCLDSA-N 1 2 425.463 -0.980 20 0 IBADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001255805945 1073598507 /nfs/dbraw/zinc/59/85/07/1073598507.db2.gz ZUVVKHSNNSCYAR-WRCBOWBKSA-N 1 2 425.463 -0.980 20 0 IBADLO CCOC1CC(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)([NH+]2CCOCC2)C1 ZINC001255908741 1073599124 /nfs/dbraw/zinc/59/91/24/1073599124.db2.gz FYSMGXWXLRKNNV-LYGPFTKASA-N 1 2 446.570 -0.751 20 0 IBADLO CCOC1CC(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)([NH+]2CCOCC2)C1 ZINC001255908742 1073599193 /nfs/dbraw/zinc/59/91/93/1073599193.db2.gz FYSMGXWXLRKNNV-MDCZIUGASA-N 1 2 446.570 -0.751 20 0 IBADLO COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001255974746 1073599961 /nfs/dbraw/zinc/59/99/61/1073599961.db2.gz UILJLIMHMSLCMW-TWMKSMIVSA-N 1 2 443.570 -0.607 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001255974749 1073599861 /nfs/dbraw/zinc/59/98/61/1073599861.db2.gz UILJLIMHMSLCMW-VQHPVUNQSA-N 1 2 443.570 -0.607 20 0 IBADLO CCOC(=O)N1CC[C@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001256040436 1073600482 /nfs/dbraw/zinc/60/04/82/1073600482.db2.gz VAWGLQXZSNXGJD-JYJNAYRXSA-N 1 2 425.530 -0.186 20 0 IBADLO CCOC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001256040436 1073600476 /nfs/dbraw/zinc/60/04/76/1073600476.db2.gz VAWGLQXZSNXGJD-JYJNAYRXSA-N 1 2 425.530 -0.186 20 0 IBADLO CCOC(=O)N1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001256040437 1073600611 /nfs/dbraw/zinc/60/06/11/1073600611.db2.gz VAWGLQXZSNXGJD-PMPSAXMXSA-N 1 2 425.530 -0.186 20 0 IBADLO CCOC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001256040437 1073600607 /nfs/dbraw/zinc/60/06/07/1073600607.db2.gz VAWGLQXZSNXGJD-PMPSAXMXSA-N 1 2 425.530 -0.186 20 0 IBADLO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001256272177 1073602720 /nfs/dbraw/zinc/60/27/20/1073602720.db2.gz YPWLNESNTYMIOU-FPCVCCKLSA-N 1 2 426.514 -0.332 20 0 IBADLO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001256272177 1073602715 /nfs/dbraw/zinc/60/27/15/1073602715.db2.gz YPWLNESNTYMIOU-FPCVCCKLSA-N 1 2 426.514 -0.332 20 0 IBADLO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001256272178 1073602752 /nfs/dbraw/zinc/60/27/52/1073602752.db2.gz YPWLNESNTYMIOU-JJXSEGSLSA-N 1 2 426.514 -0.332 20 0 IBADLO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001256272178 1073602748 /nfs/dbraw/zinc/60/27/48/1073602748.db2.gz YPWLNESNTYMIOU-JJXSEGSLSA-N 1 2 426.514 -0.332 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001256463259 1073605527 /nfs/dbraw/zinc/60/55/27/1073605527.db2.gz CQWSJVRFGXRZIN-KBPBESRZSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001256463259 1073605520 /nfs/dbraw/zinc/60/55/20/1073605520.db2.gz CQWSJVRFGXRZIN-KBPBESRZSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001256463262 1073605351 /nfs/dbraw/zinc/60/53/51/1073605351.db2.gz CQWSJVRFGXRZIN-KGLIPLIRSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001256463262 1073605342 /nfs/dbraw/zinc/60/53/42/1073605342.db2.gz CQWSJVRFGXRZIN-KGLIPLIRSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001256463263 1073605411 /nfs/dbraw/zinc/60/54/11/1073605411.db2.gz CQWSJVRFGXRZIN-UONOGXRCSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001256463263 1073605403 /nfs/dbraw/zinc/60/54/03/1073605403.db2.gz CQWSJVRFGXRZIN-UONOGXRCSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001256463265 1073605501 /nfs/dbraw/zinc/60/55/01/1073605501.db2.gz CQWSJVRFGXRZIN-ZIAGYGMSSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001256463265 1073605495 /nfs/dbraw/zinc/60/54/95/1073605495.db2.gz CQWSJVRFGXRZIN-ZIAGYGMSSA-N 1 2 442.542 -0.971 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001256466683 1073605454 /nfs/dbraw/zinc/60/54/54/1073605454.db2.gz UNXICJOOLANBKC-HKUYNNGSSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001256466683 1073605448 /nfs/dbraw/zinc/60/54/48/1073605448.db2.gz UNXICJOOLANBKC-HKUYNNGSSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001256466684 1073605555 /nfs/dbraw/zinc/60/55/55/1073605555.db2.gz UNXICJOOLANBKC-IEBWSBKVSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001256466684 1073605552 /nfs/dbraw/zinc/60/55/52/1073605552.db2.gz UNXICJOOLANBKC-IEBWSBKVSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001256466685 1073605181 /nfs/dbraw/zinc/60/51/81/1073605181.db2.gz UNXICJOOLANBKC-MJGOQNOKSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001256466685 1073605176 /nfs/dbraw/zinc/60/51/76/1073605176.db2.gz UNXICJOOLANBKC-MJGOQNOKSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001256466686 1073605472 /nfs/dbraw/zinc/60/54/72/1073605472.db2.gz UNXICJOOLANBKC-PKOBYXMFSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001256466686 1073605470 /nfs/dbraw/zinc/60/54/70/1073605470.db2.gz UNXICJOOLANBKC-PKOBYXMFSA-N 1 2 438.598 -0.018 20 0 IBADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256537996 1073606003 /nfs/dbraw/zinc/60/60/03/1073606003.db2.gz ROSQIHSPNKSVME-BBCLEEHXSA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256537996 1073605996 /nfs/dbraw/zinc/60/59/96/1073605996.db2.gz ROSQIHSPNKSVME-BBCLEEHXSA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256537998 1073606110 /nfs/dbraw/zinc/60/61/10/1073606110.db2.gz ROSQIHSPNKSVME-SSBZYEIASA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256537998 1073606105 /nfs/dbraw/zinc/60/61/05/1073606105.db2.gz ROSQIHSPNKSVME-SSBZYEIASA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256538000 1073606227 /nfs/dbraw/zinc/60/62/27/1073606227.db2.gz ROSQIHSPNKSVME-XPDRQHSKSA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256538000 1073606223 /nfs/dbraw/zinc/60/62/23/1073606223.db2.gz ROSQIHSPNKSVME-XPDRQHSKSA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256538001 1073606753 /nfs/dbraw/zinc/60/67/53/1073606753.db2.gz ROSQIHSPNKSVME-ZNXONEHFSA-N 1 2 446.522 -0.744 20 0 IBADLO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256538001 1073606746 /nfs/dbraw/zinc/60/67/46/1073606746.db2.gz ROSQIHSPNKSVME-ZNXONEHFSA-N 1 2 446.522 -0.744 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC001256588460 1073606950 /nfs/dbraw/zinc/60/69/50/1073606950.db2.gz OYEQVJVIIJXBCS-UHFFFAOYSA-N 1 2 432.568 -0.217 20 0 IBADLO CCn1nc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1=O ZINC001256731162 1073608203 /nfs/dbraw/zinc/60/82/03/1073608203.db2.gz VVBCKBOAISFWSA-HNNXBMFYSA-N 1 2 427.509 -0.160 20 0 IBADLO CCn1nc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1=O ZINC001256731169 1073608224 /nfs/dbraw/zinc/60/82/24/1073608224.db2.gz VVBCKBOAISFWSA-OAHLLOKOSA-N 1 2 427.509 -0.160 20 0 IBADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257233480 1073610528 /nfs/dbraw/zinc/61/05/28/1073610528.db2.gz HELDJWNCCZPXPF-UHFFFAOYSA-N 1 2 426.543 -0.356 20 0 IBADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257233480 1073610526 /nfs/dbraw/zinc/61/05/26/1073610526.db2.gz HELDJWNCCZPXPF-UHFFFAOYSA-N 1 2 426.543 -0.356 20 0 IBADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257235504 1073610468 /nfs/dbraw/zinc/61/04/68/1073610468.db2.gz ATDLVVKOTTVEIW-UHFFFAOYSA-N 1 2 427.527 -0.864 20 0 IBADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257235504 1073610467 /nfs/dbraw/zinc/61/04/67/1073610467.db2.gz ATDLVVKOTTVEIW-UHFFFAOYSA-N 1 2 427.527 -0.864 20 0 IBADLO CS(=O)(=O)N1CCC([N@@H+]2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001257238371 1073610501 /nfs/dbraw/zinc/61/05/01/1073610501.db2.gz SAHIECAVHINHRB-HNNXBMFYSA-N 1 2 433.538 -0.041 20 0 IBADLO CS(=O)(=O)N1CCC([N@H+]2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001257238371 1073610498 /nfs/dbraw/zinc/61/04/98/1073610498.db2.gz SAHIECAVHINHRB-HNNXBMFYSA-N 1 2 433.538 -0.041 20 0 IBADLO CS(=O)(=O)N1CCC([N@@H+]2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001257238377 1073611207 /nfs/dbraw/zinc/61/12/07/1073611207.db2.gz SAHIECAVHINHRB-OAHLLOKOSA-N 1 2 433.538 -0.041 20 0 IBADLO CS(=O)(=O)N1CCC([N@H+]2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001257238377 1073611203 /nfs/dbraw/zinc/61/12/03/1073611203.db2.gz SAHIECAVHINHRB-OAHLLOKOSA-N 1 2 433.538 -0.041 20 0 IBADLO CNS(=O)(=O)N1CCC(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001257428592 1073611795 /nfs/dbraw/zinc/61/17/95/1073611795.db2.gz YASKJARYNIIOSZ-UHFFFAOYSA-N 1 2 438.554 -0.587 20 0 IBADLO COCCS(=O)(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001257483238 1073612608 /nfs/dbraw/zinc/61/26/08/1073612608.db2.gz LOKJZSBDEBTMGB-HNNXBMFYSA-N 1 2 441.554 -0.990 20 0 IBADLO COCCS(=O)(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001257483239 1073612624 /nfs/dbraw/zinc/61/26/24/1073612624.db2.gz LOKJZSBDEBTMGB-OAHLLOKOSA-N 1 2 441.554 -0.990 20 0 IBADLO COC(=O)CCS(=O)(=O)CC[C@H](C)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001257921769 1073614060 /nfs/dbraw/zinc/61/40/60/1073614060.db2.gz YRZVJIYJEHNDOK-JSGCOSHPSA-N 1 2 432.499 -0.727 20 0 IBADLO COC(=O)CCS(=O)(=O)CC[C@@H](C)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001257921770 1073613927 /nfs/dbraw/zinc/61/39/27/1073613927.db2.gz YRZVJIYJEHNDOK-OCCSQVGLSA-N 1 2 432.499 -0.727 20 0 IBADLO C[N@@H+](C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1)[C@H]1CCOC1 ZINC001259626320 1073631698 /nfs/dbraw/zinc/63/16/98/1073631698.db2.gz VVFOQJQDYGMVTP-HNNXBMFYSA-N 1 2 445.563 -0.199 20 0 IBADLO C[N@H+](C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1)[C@H]1CCOC1 ZINC001259626320 1073631693 /nfs/dbraw/zinc/63/16/93/1073631693.db2.gz VVFOQJQDYGMVTP-HNNXBMFYSA-N 1 2 445.563 -0.199 20 0 IBADLO C[N@@H+](C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1)[C@@H]1CCOC1 ZINC001259626321 1073631728 /nfs/dbraw/zinc/63/17/28/1073631728.db2.gz VVFOQJQDYGMVTP-OAHLLOKOSA-N 1 2 445.563 -0.199 20 0 IBADLO C[N@H+](C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1)[C@@H]1CCOC1 ZINC001259626321 1073631721 /nfs/dbraw/zinc/63/17/21/1073631721.db2.gz VVFOQJQDYGMVTP-OAHLLOKOSA-N 1 2 445.563 -0.199 20 0 IBADLO NS(=O)(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001260079662 1073640945 /nfs/dbraw/zinc/64/09/45/1073640945.db2.gz XBBOUQIWIOTPBB-KBPBESRZSA-N 1 2 445.496 -0.887 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001260107510 1073640744 /nfs/dbraw/zinc/64/07/44/1073640744.db2.gz VRQCVOWLALATRR-UHFFFAOYSA-N 1 2 435.554 -0.095 20 0 IBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CS(C)(=O)=O)C2 ZINC001260587865 1073649978 /nfs/dbraw/zinc/64/99/78/1073649978.db2.gz ZUGKBOYIDAFJLO-AWEZNQCLSA-N 1 2 436.556 -1.000 20 0 IBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CS(C)(=O)=O)C2 ZINC001260587873 1073649919 /nfs/dbraw/zinc/64/99/19/1073649919.db2.gz ZUGKBOYIDAFJLO-CQSZACIVSA-N 1 2 436.556 -1.000 20 0 IBADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001261219840 1073658314 /nfs/dbraw/zinc/65/83/14/1073658314.db2.gz UFDNLBFNOCMXKI-RDJZCZTQSA-N 1 2 434.541 -0.918 20 0 IBADLO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001261219841 1073658207 /nfs/dbraw/zinc/65/82/07/1073658207.db2.gz UFDNLBFNOCMXKI-WBVHZDCISA-N 1 2 434.541 -0.918 20 0 IBADLO CNS(=O)(=O)C1CCN(c2cc(N3CCC(S(=O)(=O)NC)CC3)[nH+]cn2)CC1 ZINC001261235490 1073658769 /nfs/dbraw/zinc/65/87/69/1073658769.db2.gz VUOMWHVGFZJJRG-UHFFFAOYSA-N 1 2 432.572 -0.487 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001261252121 1073658911 /nfs/dbraw/zinc/65/89/11/1073658911.db2.gz YSLYISONZVIRQU-DOMZBBRYSA-N 1 2 438.554 -0.125 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001261252122 1073658748 /nfs/dbraw/zinc/65/87/48/1073658748.db2.gz YSLYISONZVIRQU-IUODEOHRSA-N 1 2 438.554 -0.125 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001261252123 1073658934 /nfs/dbraw/zinc/65/89/34/1073658934.db2.gz YSLYISONZVIRQU-SWLSCSKDSA-N 1 2 438.554 -0.125 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001261252124 1073658963 /nfs/dbraw/zinc/65/89/63/1073658963.db2.gz YSLYISONZVIRQU-WFASDCNBSA-N 1 2 438.554 -0.125 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001261910850 1073660210 /nfs/dbraw/zinc/66/02/10/1073660210.db2.gz KYYYVXPHLBFDQG-KRWDZBQOSA-N 1 2 440.508 -0.095 20 0 IBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001261910851 1073660277 /nfs/dbraw/zinc/66/02/77/1073660277.db2.gz KYYYVXPHLBFDQG-QGZVFWFLSA-N 1 2 440.508 -0.095 20 0 IBADLO COC(=O)[C@@H]1O[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC001264557558 1073662228 /nfs/dbraw/zinc/66/22/28/1073662228.db2.gz KMWGUDMPGSBNLN-BFYDXBDKSA-N 1 2 440.522 -0.384 20 0 IBADLO Cc1occc(=O)c1OCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001264557901 1073662243 /nfs/dbraw/zinc/66/22/43/1073662243.db2.gz UHBRYYQFPRBYPK-UHFFFAOYSA-N 1 2 436.490 -0.010 20 0 IBADLO NC(=O)c1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001264557949 1073662114 /nfs/dbraw/zinc/66/21/14/1073662114.db2.gz VVFXCSATOMVKRG-UHFFFAOYSA-N 1 2 432.506 -0.614 20 0 IBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001265419775 1073663563 /nfs/dbraw/zinc/66/35/63/1073663563.db2.gz KJIJZTRHVWAIOO-INIZCTEOSA-N 1 2 438.554 -0.367 20 0 IBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001265419775 1073663552 /nfs/dbraw/zinc/66/35/52/1073663552.db2.gz KJIJZTRHVWAIOO-INIZCTEOSA-N 1 2 438.554 -0.367 20 0 IBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001271885307 1072761161 /nfs/dbraw/zinc/76/11/61/1072761161.db2.gz PMOJAFVHAQLRBA-CVEARBPZSA-N 1 2 432.539 -0.165 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC001275847389 1074487700 /nfs/dbraw/zinc/48/77/00/1074487700.db2.gz VFPJBUDOHMTGTR-UHFFFAOYSA-N 1 2 444.554 -0.535 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001286889774 1073679646 /nfs/dbraw/zinc/67/96/46/1073679646.db2.gz LGRGBCDEWIGTQH-UHFFFAOYSA-N 1 2 427.575 -0.484 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001286889895 1073679464 /nfs/dbraw/zinc/67/94/64/1073679464.db2.gz MQSBQKOWTKZKSE-UHFFFAOYSA-N 1 2 446.556 -0.734 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001286889999 1073679559 /nfs/dbraw/zinc/67/95/59/1073679559.db2.gz MBVLLCKOALGOEO-KRWDZBQOSA-N 1 2 426.525 -0.260 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001286890000 1073679590 /nfs/dbraw/zinc/67/95/90/1073679590.db2.gz MBVLLCKOALGOEO-QGZVFWFLSA-N 1 2 426.525 -0.260 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001286890018 1073679667 /nfs/dbraw/zinc/67/96/67/1073679667.db2.gz NDWAEMXAUWGVEC-KRWDZBQOSA-N 1 2 449.556 -0.583 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001286890019 1073680286 /nfs/dbraw/zinc/68/02/86/1073680286.db2.gz NDWAEMXAUWGVEC-QGZVFWFLSA-N 1 2 449.556 -0.583 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001286890417 1073680055 /nfs/dbraw/zinc/68/00/55/1073680055.db2.gz PXVIVEGUIOPZGB-UHFFFAOYSA-N 1 2 439.586 -0.524 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)C2)CC1 ZINC001286890649 1073680073 /nfs/dbraw/zinc/68/00/73/1073680073.db2.gz UUBHSKVSMBGWFV-UHFFFAOYSA-N 1 2 429.529 -0.760 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001286891024 1073680156 /nfs/dbraw/zinc/68/01/56/1073680156.db2.gz YIFGZUFKVRDSRF-MRXNPFEDSA-N 1 2 443.574 -0.721 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001286891717 1073680090 /nfs/dbraw/zinc/68/00/90/1073680090.db2.gz ODQXUGIHKJGYEL-UHFFFAOYSA-N 1 2 439.586 -0.162 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001286891848 1073680267 /nfs/dbraw/zinc/68/02/67/1073680267.db2.gz PEDAYAZSHRTDOA-KRWDZBQOSA-N 1 2 432.529 -0.938 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001286891849 1073680165 /nfs/dbraw/zinc/68/01/65/1073680165.db2.gz PEDAYAZSHRTDOA-QGZVFWFLSA-N 1 2 432.529 -0.938 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001286891894 1073680138 /nfs/dbraw/zinc/68/01/38/1073680138.db2.gz QCTWIVIIVRXBJZ-CVEARBPZSA-N 1 2 432.529 -0.905 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001286891896 1073680110 /nfs/dbraw/zinc/68/01/10/1073680110.db2.gz QCTWIVIIVRXBJZ-HOTGVXAUSA-N 1 2 432.529 -0.905 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001286891898 1073680174 /nfs/dbraw/zinc/68/01/74/1073680174.db2.gz QCTWIVIIVRXBJZ-HZPDHXFCSA-N 1 2 432.529 -0.905 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001286891899 1073680276 /nfs/dbraw/zinc/68/02/76/1073680276.db2.gz QCTWIVIIVRXBJZ-JKSUJKDBSA-N 1 2 432.529 -0.905 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001286892508 1073680191 /nfs/dbraw/zinc/68/01/91/1073680191.db2.gz WNGWAKGMGVTAPM-UHFFFAOYSA-N 1 2 439.586 -0.209 20 0 IBADLO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286953865 1073686611 /nfs/dbraw/zinc/68/66/11/1073686611.db2.gz ZQDQEMFYQCHBIW-UHFFFAOYSA-N 1 2 443.556 -0.051 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C)CC1 ZINC001286971892 1073686525 /nfs/dbraw/zinc/68/65/25/1073686525.db2.gz LXGMOBHZAQBUKK-INIZCTEOSA-N 1 2 443.556 -0.100 20 0 IBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C)CC1 ZINC001286971893 1073686684 /nfs/dbraw/zinc/68/66/84/1073686684.db2.gz LXGMOBHZAQBUKK-MRXNPFEDSA-N 1 2 443.556 -0.100 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC1 ZINC001288005460 1073693903 /nfs/dbraw/zinc/69/39/03/1073693903.db2.gz NSOILGFJSVCCDC-AWEZNQCLSA-N 1 2 434.588 -0.740 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC1 ZINC001288005466 1073693961 /nfs/dbraw/zinc/69/39/61/1073693961.db2.gz NSOILGFJSVCCDC-CQSZACIVSA-N 1 2 434.588 -0.740 20 0 IBADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288059682 1073695004 /nfs/dbraw/zinc/69/50/04/1073695004.db2.gz AJDJABBYNSWVEU-UHFFFAOYSA-N 1 2 438.558 -0.089 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288168043 1073699487 /nfs/dbraw/zinc/69/94/87/1073699487.db2.gz ITEYIZHYVSLVQV-HNNXBMFYSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288168043 1073699484 /nfs/dbraw/zinc/69/94/84/1073699484.db2.gz ITEYIZHYVSLVQV-HNNXBMFYSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288168044 1073699439 /nfs/dbraw/zinc/69/94/39/1073699439.db2.gz ITEYIZHYVSLVQV-OAHLLOKOSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288168044 1073699436 /nfs/dbraw/zinc/69/94/36/1073699436.db2.gz ITEYIZHYVSLVQV-OAHLLOKOSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001288235767 1073702014 /nfs/dbraw/zinc/70/20/14/1073702014.db2.gz SQZPYMGBTRWEQR-HNNXBMFYSA-N 1 2 443.556 -0.008 20 0 IBADLO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001288235768 1073702092 /nfs/dbraw/zinc/70/20/92/1073702092.db2.gz SQZPYMGBTRWEQR-OAHLLOKOSA-N 1 2 443.556 -0.008 20 0 IBADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001288642202 1073706215 /nfs/dbraw/zinc/70/62/15/1073706215.db2.gz WXVQXHZGXRSYNR-DLBZAZTESA-N 1 2 448.572 -0.840 20 0 IBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001288642204 1073706175 /nfs/dbraw/zinc/70/61/75/1073706175.db2.gz WXVQXHZGXRSYNR-IAGOWNOFSA-N 1 2 448.572 -0.840 20 0 IBADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001288642205 1073706129 /nfs/dbraw/zinc/70/61/29/1073706129.db2.gz WXVQXHZGXRSYNR-IRXDYDNUSA-N 1 2 448.572 -0.840 20 0 IBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001288642206 1073706248 /nfs/dbraw/zinc/70/62/48/1073706248.db2.gz WXVQXHZGXRSYNR-SJORKVTESA-N 1 2 448.572 -0.840 20 0 IBADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001288659374 1073706693 /nfs/dbraw/zinc/70/66/93/1073706693.db2.gz KTSTZFCZNBTPNJ-INIZCTEOSA-N 1 2 437.570 -0.030 20 0 IBADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001288659376 1073706735 /nfs/dbraw/zinc/70/67/35/1073706735.db2.gz KTSTZFCZNBTPNJ-MRXNPFEDSA-N 1 2 437.570 -0.030 20 0 IBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001288669594 1073706544 /nfs/dbraw/zinc/70/65/44/1073706544.db2.gz OOMCJEWAFIOBAZ-HNNXBMFYSA-N 1 2 443.574 -0.893 20 0 IBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001288669598 1073706722 /nfs/dbraw/zinc/70/67/22/1073706722.db2.gz OOMCJEWAFIOBAZ-OAHLLOKOSA-N 1 2 443.574 -0.893 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288814269 1073712301 /nfs/dbraw/zinc/71/23/01/1073712301.db2.gz CTBKLAPTBVATOX-KBPBESRZSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288814269 1073712295 /nfs/dbraw/zinc/71/22/95/1073712295.db2.gz CTBKLAPTBVATOX-KBPBESRZSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288814270 1073712478 /nfs/dbraw/zinc/71/24/78/1073712478.db2.gz CTBKLAPTBVATOX-KGLIPLIRSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288814270 1073712470 /nfs/dbraw/zinc/71/24/70/1073712470.db2.gz CTBKLAPTBVATOX-KGLIPLIRSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288814271 1073712255 /nfs/dbraw/zinc/71/22/55/1073712255.db2.gz CTBKLAPTBVATOX-UONOGXRCSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288814271 1073712250 /nfs/dbraw/zinc/71/22/50/1073712250.db2.gz CTBKLAPTBVATOX-UONOGXRCSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288814272 1073712390 /nfs/dbraw/zinc/71/23/90/1073712390.db2.gz CTBKLAPTBVATOX-ZIAGYGMSSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288814272 1073712379 /nfs/dbraw/zinc/71/23/79/1073712379.db2.gz CTBKLAPTBVATOX-ZIAGYGMSSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288825792 1073713000 /nfs/dbraw/zinc/71/30/00/1073713000.db2.gz LSWFPNSEVKIBAY-HNNXBMFYSA-N 1 2 442.586 -0.038 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288825793 1073712981 /nfs/dbraw/zinc/71/29/81/1073712981.db2.gz LSWFPNSEVKIBAY-OAHLLOKOSA-N 1 2 442.586 -0.038 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288857277 1073715049 /nfs/dbraw/zinc/71/50/49/1073715049.db2.gz UXCJAZIZCPVMLF-ILXRZTDVSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288857277 1073715045 /nfs/dbraw/zinc/71/50/45/1073715045.db2.gz UXCJAZIZCPVMLF-ILXRZTDVSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288857278 1073715097 /nfs/dbraw/zinc/71/50/97/1073715097.db2.gz UXCJAZIZCPVMLF-KFWWJZLASA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288857278 1073715090 /nfs/dbraw/zinc/71/50/90/1073715090.db2.gz UXCJAZIZCPVMLF-KFWWJZLASA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288857279 1073715017 /nfs/dbraw/zinc/71/50/17/1073715017.db2.gz UXCJAZIZCPVMLF-KKUMJFAQSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288857279 1073715014 /nfs/dbraw/zinc/71/50/14/1073715014.db2.gz UXCJAZIZCPVMLF-KKUMJFAQSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288857280 1073715121 /nfs/dbraw/zinc/71/51/21/1073715121.db2.gz UXCJAZIZCPVMLF-ZNMIVQPWSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288857280 1073715114 /nfs/dbraw/zinc/71/51/14/1073715114.db2.gz UXCJAZIZCPVMLF-ZNMIVQPWSA-N 1 2 443.574 -0.689 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001288860907 1073715895 /nfs/dbraw/zinc/71/58/95/1073715895.db2.gz VUZOGRDMMTVTEU-CABCVRRESA-N 1 2 448.615 -0.147 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001288860908 1073715855 /nfs/dbraw/zinc/71/58/55/1073715855.db2.gz VUZOGRDMMTVTEU-GJZGRUSLSA-N 1 2 448.615 -0.147 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001288860909 1073715943 /nfs/dbraw/zinc/71/59/43/1073715943.db2.gz VUZOGRDMMTVTEU-HUUCEWRRSA-N 1 2 448.615 -0.147 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001288860910 1073715910 /nfs/dbraw/zinc/71/59/10/1073715910.db2.gz VUZOGRDMMTVTEU-LSDHHAIUSA-N 1 2 448.615 -0.147 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001288869508 1073717492 /nfs/dbraw/zinc/71/74/92/1073717492.db2.gz IELSZUXZQSKXON-CYBMUJFWSA-N 1 2 432.510 -0.285 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001288869514 1073717351 /nfs/dbraw/zinc/71/73/51/1073717351.db2.gz IELSZUXZQSKXON-ZDUSSCGKSA-N 1 2 432.510 -0.285 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCS(C)(=O)=O ZINC001288870202 1073717998 /nfs/dbraw/zinc/71/79/98/1073717998.db2.gz MKPNPPRAQOCZAZ-AWEZNQCLSA-N 1 2 448.615 -0.145 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCS(C)(=O)=O ZINC001288870203 1073717970 /nfs/dbraw/zinc/71/79/70/1073717970.db2.gz MKPNPPRAQOCZAZ-CQSZACIVSA-N 1 2 448.615 -0.145 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288872318 1073719082 /nfs/dbraw/zinc/71/90/82/1073719082.db2.gz XMRSBQOBZINDCY-CYBMUJFWSA-N 1 2 436.542 -0.276 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288872320 1073719046 /nfs/dbraw/zinc/71/90/46/1073719046.db2.gz XMRSBQOBZINDCY-ZDUSSCGKSA-N 1 2 436.542 -0.276 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001290500941 1073728703 /nfs/dbraw/zinc/72/87/03/1073728703.db2.gz GKGIDGGYYWGUBP-HNNXBMFYSA-N 1 2 436.542 -0.244 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001290500944 1073728760 /nfs/dbraw/zinc/72/87/60/1073728760.db2.gz GKGIDGGYYWGUBP-OAHLLOKOSA-N 1 2 436.542 -0.244 20 0 IBADLO CCOC(=O)C1(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC001290817319 1073731236 /nfs/dbraw/zinc/73/12/36/1073731236.db2.gz AQPPYNOQWBVLEG-UHFFFAOYSA-N 1 2 446.570 -0.627 20 0 IBADLO CCn1cc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001290817868 1073731460 /nfs/dbraw/zinc/73/14/60/1073731460.db2.gz LXGGXAOINXCXBA-UHFFFAOYSA-N 1 2 449.375 -0.085 20 0 IBADLO CCOCn1nc(C)c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001290817897 1073731326 /nfs/dbraw/zinc/73/13/26/1073731326.db2.gz NBAZQVCBERWYIQ-UHFFFAOYSA-N 1 2 442.586 -0.327 20 0 IBADLO COc1cccc(-n2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)c1 ZINC001290818483 1073731983 /nfs/dbraw/zinc/73/19/83/1073731983.db2.gz VSQNDECLCSFZAP-UHFFFAOYSA-N 1 2 449.537 -0.474 20 0 IBADLO CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001290818722 1073732025 /nfs/dbraw/zinc/73/20/25/1073732025.db2.gz XXXYXOXQXQZTEJ-HNNXBMFYSA-N 1 2 449.574 -0.838 20 0 IBADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCOCCS(C)(=O)=O ZINC001290856264 1073733260 /nfs/dbraw/zinc/73/32/60/1073733260.db2.gz DMAHUEMMDOTDGU-INIZCTEOSA-N 1 2 442.586 -0.219 20 0 IBADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCOCCS(C)(=O)=O ZINC001290856285 1073733058 /nfs/dbraw/zinc/73/30/58/1073733058.db2.gz DMAHUEMMDOTDGU-MRXNPFEDSA-N 1 2 442.586 -0.219 20 0 IBADLO COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001290894358 1073734427 /nfs/dbraw/zinc/73/44/27/1073734427.db2.gz MJJMNZDLAAHSOK-WBVHZDCISA-N 1 2 441.506 -0.044 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001290953718 1073735684 /nfs/dbraw/zinc/73/56/84/1073735684.db2.gz DSLUDIPXGCBJCU-INIZCTEOSA-N 1 2 447.583 -0.777 20 0 IBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001290953719 1073735502 /nfs/dbraw/zinc/73/55/02/1073735502.db2.gz DSLUDIPXGCBJCU-MRXNPFEDSA-N 1 2 447.583 -0.777 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccnc2c1CC(=O)N2 ZINC001290953759 1073735451 /nfs/dbraw/zinc/73/54/51/1073735451.db2.gz FVLLBCDAVDULNN-UHFFFAOYSA-N 1 2 430.490 -0.147 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC2(C1)CS(=O)(=O)C2 ZINC001290954218 1073735545 /nfs/dbraw/zinc/73/55/45/1073735545.db2.gz MOWDCPMHTWVALV-UHFFFAOYSA-N 1 2 442.563 -0.526 20 0 IBADLO O=C(Cn1nnc2c1CCCC2)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001290954985 1073735623 /nfs/dbraw/zinc/73/56/23/1073735623.db2.gz RTQYFTMSWGYGMR-UHFFFAOYSA-N 1 2 433.538 -0.180 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308551 1073739891 /nfs/dbraw/zinc/73/98/91/1073739891.db2.gz PEXILGUKPWGXDS-CVEARBPZSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308551 1073739884 /nfs/dbraw/zinc/73/98/84/1073739884.db2.gz PEXILGUKPWGXDS-CVEARBPZSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308552 1073739736 /nfs/dbraw/zinc/73/97/36/1073739736.db2.gz PEXILGUKPWGXDS-HOTGVXAUSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308552 1073739731 /nfs/dbraw/zinc/73/97/31/1073739731.db2.gz PEXILGUKPWGXDS-HOTGVXAUSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308553 1073739756 /nfs/dbraw/zinc/73/97/56/1073739756.db2.gz PEXILGUKPWGXDS-HZPDHXFCSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308553 1073739749 /nfs/dbraw/zinc/73/97/49/1073739749.db2.gz PEXILGUKPWGXDS-HZPDHXFCSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308554 1073739695 /nfs/dbraw/zinc/73/96/95/1073739695.db2.gz PEXILGUKPWGXDS-JKSUJKDBSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001291308554 1073739693 /nfs/dbraw/zinc/73/96/93/1073739693.db2.gz PEXILGUKPWGXDS-JKSUJKDBSA-N 1 2 444.558 -0.832 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291310197 1073739800 /nfs/dbraw/zinc/73/98/00/1073739800.db2.gz WDEIWKWUGKLAKE-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291310197 1073739792 /nfs/dbraw/zinc/73/97/92/1073739792.db2.gz WDEIWKWUGKLAKE-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291310198 1073740344 /nfs/dbraw/zinc/74/03/44/1073740344.db2.gz WDEIWKWUGKLAKE-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291310198 1073740339 /nfs/dbraw/zinc/74/03/39/1073740339.db2.gz WDEIWKWUGKLAKE-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO NS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC001292183215 1073747672 /nfs/dbraw/zinc/74/76/72/1073747672.db2.gz RGCHJAJFVYJNRD-KRWDZBQOSA-N 1 2 426.539 -0.071 20 0 IBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC001292183224 1073747765 /nfs/dbraw/zinc/74/77/65/1073747765.db2.gz RGCHJAJFVYJNRD-QGZVFWFLSA-N 1 2 426.539 -0.071 20 0 IBADLO Cn1nc2c(c1C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CS(=O)(=O)CC2 ZINC001292374073 1073749041 /nfs/dbraw/zinc/74/90/41/1073749041.db2.gz ICPISGSSUAGFTQ-UHFFFAOYSA-N 1 2 446.533 -0.245 20 0 IBADLO O=C(CCNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC001292374404 1073749100 /nfs/dbraw/zinc/74/91/00/1073749100.db2.gz RKLZRUSYEWPYJV-INIZCTEOSA-N 1 2 444.467 -0.439 20 0 IBADLO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292816492 1073750820 /nfs/dbraw/zinc/75/08/20/1073750820.db2.gz NAPDADGPSIADCA-UHFFFAOYSA-N 1 2 441.602 -0.135 20 0 IBADLO CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292940610 1073752753 /nfs/dbraw/zinc/75/27/53/1073752753.db2.gz SLLCDTGWNLZDNJ-NRFANRHFSA-N 1 2 446.556 -0.181 20 0 IBADLO CCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292940611 1073752816 /nfs/dbraw/zinc/75/28/16/1073752816.db2.gz SLLCDTGWNLZDNJ-OAQYLSRUSA-N 1 2 446.556 -0.181 20 0 IBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n2ccccc12 ZINC001292985961 1073752729 /nfs/dbraw/zinc/75/27/29/1073752729.db2.gz KJEDRDUMLIQDOC-UHFFFAOYSA-N 1 2 434.522 -0.248 20 0 IBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n2ccccc12 ZINC001292985961 1073752716 /nfs/dbraw/zinc/75/27/16/1073752716.db2.gz KJEDRDUMLIQDOC-UHFFFAOYSA-N 1 2 434.522 -0.248 20 0 IBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292987790 1073752579 /nfs/dbraw/zinc/75/25/79/1073752579.db2.gz UWCQSAITZDSZLW-GOSISDBHSA-N 1 2 447.511 -0.044 20 0 IBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292987790 1073752573 /nfs/dbraw/zinc/75/25/73/1073752573.db2.gz UWCQSAITZDSZLW-GOSISDBHSA-N 1 2 447.511 -0.044 20 0 IBADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292987791 1073752521 /nfs/dbraw/zinc/75/25/21/1073752521.db2.gz UWCQSAITZDSZLW-SFHVURJKSA-N 1 2 447.511 -0.044 20 0 IBADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292987791 1073752513 /nfs/dbraw/zinc/75/25/13/1073752513.db2.gz UWCQSAITZDSZLW-SFHVURJKSA-N 1 2 447.511 -0.044 20 0 IBADLO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293000397 1073752848 /nfs/dbraw/zinc/75/28/48/1073752848.db2.gz HEUSTPZTVFPOBE-UHFFFAOYSA-N 1 2 432.529 -0.475 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1c1nccn1C ZINC001293022242 1073753264 /nfs/dbraw/zinc/75/32/64/1073753264.db2.gz JJZBXVKUNLFIRR-IRXDYDNUSA-N 1 2 441.554 -0.666 20 0 IBADLO CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2C1 ZINC001293024254 1073753128 /nfs/dbraw/zinc/75/31/28/1073753128.db2.gz WRWZESYNOCIGBD-HNNXBMFYSA-N 1 2 425.555 -0.180 20 0 IBADLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2C1 ZINC001293024256 1073753226 /nfs/dbraw/zinc/75/32/26/1073753226.db2.gz WRWZESYNOCIGBD-OAHLLOKOSA-N 1 2 425.555 -0.180 20 0 IBADLO CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293035440 1073753917 /nfs/dbraw/zinc/75/39/17/1073753917.db2.gz LDJGQFJLVFMEJH-KRWDZBQOSA-N 1 2 441.602 -0.230 20 0 IBADLO CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293035441 1073753821 /nfs/dbraw/zinc/75/38/21/1073753821.db2.gz LDJGQFJLVFMEJH-QGZVFWFLSA-N 1 2 441.602 -0.230 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)cn1C ZINC001293074872 1073754465 /nfs/dbraw/zinc/75/44/65/1073754465.db2.gz RXBVAJJKOSUAKB-UHFFFAOYSA-N 1 2 426.543 -0.851 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)cn1C ZINC001293074872 1073754456 /nfs/dbraw/zinc/75/44/56/1073754456.db2.gz RXBVAJJKOSUAKB-UHFFFAOYSA-N 1 2 426.543 -0.851 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293075628 1073754577 /nfs/dbraw/zinc/75/45/77/1073754577.db2.gz WDUKTLSKEZIVBZ-KRWDZBQOSA-N 1 2 433.557 -0.168 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293075628 1073754564 /nfs/dbraw/zinc/75/45/64/1073754564.db2.gz WDUKTLSKEZIVBZ-KRWDZBQOSA-N 1 2 433.557 -0.168 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001293075629 1073754535 /nfs/dbraw/zinc/75/45/35/1073754535.db2.gz WDUKTLSKEZIVBZ-QGZVFWFLSA-N 1 2 433.557 -0.168 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293075629 1073754519 /nfs/dbraw/zinc/75/45/19/1073754519.db2.gz WDUKTLSKEZIVBZ-QGZVFWFLSA-N 1 2 433.557 -0.168 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293075784 1073755096 /nfs/dbraw/zinc/75/50/96/1073755096.db2.gz XTSZKEANVSPTQU-UHFFFAOYSA-N 1 2 448.572 -0.822 20 0 IBADLO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293087522 1073755645 /nfs/dbraw/zinc/75/56/45/1073755645.db2.gz WTMNDTUUIZNMEI-GOSISDBHSA-N 1 2 435.573 -0.458 20 0 IBADLO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293087525 1073755677 /nfs/dbraw/zinc/75/56/77/1073755677.db2.gz WTMNDTUUIZNMEI-SFHVURJKSA-N 1 2 435.573 -0.458 20 0 IBADLO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293092953 1073755608 /nfs/dbraw/zinc/75/56/08/1073755608.db2.gz DQYWTNOCCPPVLC-KRWDZBQOSA-N 1 2 446.600 -0.206 20 0 IBADLO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293092955 1073755801 /nfs/dbraw/zinc/75/58/01/1073755801.db2.gz DQYWTNOCCPPVLC-QGZVFWFLSA-N 1 2 446.600 -0.206 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001293094351 1073755785 /nfs/dbraw/zinc/75/57/85/1073755785.db2.gz MNOGFPOJRIMFSE-INIZCTEOSA-N 1 2 441.602 -0.087 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001293094352 1073755771 /nfs/dbraw/zinc/75/57/71/1073755771.db2.gz MNOGFPOJRIMFSE-MRXNPFEDSA-N 1 2 441.602 -0.087 20 0 IBADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCC(=O)NC ZINC001293101233 1073756191 /nfs/dbraw/zinc/75/61/91/1073756191.db2.gz VAWFLPGGQZKHLD-UHFFFAOYSA-N 1 2 429.529 -0.070 20 0 IBADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCC(=O)NC ZINC001293101233 1073756185 /nfs/dbraw/zinc/75/61/85/1073756185.db2.gz VAWFLPGGQZKHLD-UHFFFAOYSA-N 1 2 429.529 -0.070 20 0 IBADLO CCC[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(N)(=O)=O ZINC001293108055 1073756356 /nfs/dbraw/zinc/75/63/56/1073756356.db2.gz WOOCBKGXBAPHBA-CABCVRRESA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(N)(=O)=O ZINC001293108055 1073756348 /nfs/dbraw/zinc/75/63/48/1073756348.db2.gz WOOCBKGXBAPHBA-CABCVRRESA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(N)(=O)=O ZINC001293108056 1073756250 /nfs/dbraw/zinc/75/62/50/1073756250.db2.gz WOOCBKGXBAPHBA-GJZGRUSLSA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(N)(=O)=O ZINC001293108056 1073756248 /nfs/dbraw/zinc/75/62/48/1073756248.db2.gz WOOCBKGXBAPHBA-GJZGRUSLSA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(N)(=O)=O ZINC001293108057 1073756223 /nfs/dbraw/zinc/75/62/23/1073756223.db2.gz WOOCBKGXBAPHBA-HUUCEWRRSA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(N)(=O)=O ZINC001293108057 1073756218 /nfs/dbraw/zinc/75/62/18/1073756218.db2.gz WOOCBKGXBAPHBA-HUUCEWRRSA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(N)(=O)=O ZINC001293108058 1073756209 /nfs/dbraw/zinc/75/62/09/1073756209.db2.gz WOOCBKGXBAPHBA-LSDHHAIUSA-N 1 2 426.543 -0.145 20 0 IBADLO CCC[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(N)(=O)=O ZINC001293108058 1073756203 /nfs/dbraw/zinc/75/62/03/1073756203.db2.gz WOOCBKGXBAPHBA-LSDHHAIUSA-N 1 2 426.543 -0.145 20 0 IBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001293164167 1073757311 /nfs/dbraw/zinc/75/73/11/1073757311.db2.gz HKGCJYVEJIDWTE-WBVHZDCISA-N 1 2 440.522 -0.471 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293219925 1073757788 /nfs/dbraw/zinc/75/77/88/1073757788.db2.gz STCUSPWFAIOWNM-QLFBSQMISA-N 1 2 443.574 -0.676 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293219928 1073757798 /nfs/dbraw/zinc/75/77/98/1073757798.db2.gz STCUSPWFAIOWNM-RBSFLKMASA-N 1 2 443.574 -0.676 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293219931 1073757730 /nfs/dbraw/zinc/75/77/30/1073757730.db2.gz STCUSPWFAIOWNM-RRFJBIMHSA-N 1 2 443.574 -0.676 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293219934 1073757805 /nfs/dbraw/zinc/75/78/05/1073757805.db2.gz STCUSPWFAIOWNM-SOUVJXGZSA-N 1 2 443.574 -0.676 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001293744921 1073760438 /nfs/dbraw/zinc/76/04/38/1073760438.db2.gz LWDMXSNKQIZKDK-IECFSIQFSA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001293744921 1073760434 /nfs/dbraw/zinc/76/04/34/1073760434.db2.gz LWDMXSNKQIZKDK-IECFSIQFSA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001293744922 1073760313 /nfs/dbraw/zinc/76/03/13/1073760313.db2.gz LWDMXSNKQIZKDK-JCECYMMASA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001293744922 1073760306 /nfs/dbraw/zinc/76/03/06/1073760306.db2.gz LWDMXSNKQIZKDK-JCECYMMASA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001293744923 1073760831 /nfs/dbraw/zinc/76/08/31/1073760831.db2.gz LWDMXSNKQIZKDK-OBVSXPTNSA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001293744923 1073760816 /nfs/dbraw/zinc/76/08/16/1073760816.db2.gz LWDMXSNKQIZKDK-OBVSXPTNSA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001293744924 1073760679 /nfs/dbraw/zinc/76/06/79/1073760679.db2.gz LWDMXSNKQIZKDK-PNKHAZJDSA-N 1 2 428.599 -0.153 20 0 IBADLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001293744924 1073760670 /nfs/dbraw/zinc/76/06/70/1073760670.db2.gz LWDMXSNKQIZKDK-PNKHAZJDSA-N 1 2 428.599 -0.153 20 0 IBADLO NC(=O)c1cn(CCC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC001293767008 1073760865 /nfs/dbraw/zinc/76/08/65/1073760865.db2.gz ORTWHHMPDGVUGZ-INIZCTEOSA-N 1 2 429.477 -0.502 20 0 IBADLO NC(=O)c1cn(CCC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC001293767013 1073760763 /nfs/dbraw/zinc/76/07/63/1073760763.db2.gz ORTWHHMPDGVUGZ-MRXNPFEDSA-N 1 2 429.477 -0.502 20 0 IBADLO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902262 1073761458 /nfs/dbraw/zinc/76/14/58/1073761458.db2.gz BPFQKEXFGMVRIY-AWEZNQCLSA-N 1 2 444.579 -0.412 20 0 IBADLO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902263 1073761430 /nfs/dbraw/zinc/76/14/30/1073761430.db2.gz BPFQKEXFGMVRIY-CQSZACIVSA-N 1 2 444.579 -0.412 20 0 IBADLO CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001293902416 1073761314 /nfs/dbraw/zinc/76/13/14/1073761314.db2.gz GEVAJMYMGCJREW-CYBMUJFWSA-N 1 2 426.495 -0.756 20 0 IBADLO CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001293902417 1073761350 /nfs/dbraw/zinc/76/13/50/1073761350.db2.gz GEVAJMYMGCJREW-ZDUSSCGKSA-N 1 2 426.495 -0.756 20 0 IBADLO CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)COC1 ZINC001293902448 1073761570 /nfs/dbraw/zinc/76/15/70/1073761570.db2.gz HIXXXONIJPXLQE-HNNXBMFYSA-N 1 2 426.514 -0.281 20 0 IBADLO CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)COC1 ZINC001293902449 1073761514 /nfs/dbraw/zinc/76/15/14/1073761514.db2.gz HIXXXONIJPXLQE-OAHLLOKOSA-N 1 2 426.514 -0.281 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001293903025 1073761383 /nfs/dbraw/zinc/76/13/83/1073761383.db2.gz QGJDTNREPILYQG-IBGZPJMESA-N 1 2 430.505 -0.178 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001293903027 1073761504 /nfs/dbraw/zinc/76/15/04/1073761504.db2.gz QGJDTNREPILYQG-LJQANCHMSA-N 1 2 430.505 -0.178 20 0 IBADLO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001293932191 1073762362 /nfs/dbraw/zinc/76/23/62/1073762362.db2.gz GZPOUSZWXSKSAO-HKUYNNGSSA-N 1 2 430.484 -0.234 20 0 IBADLO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001293932192 1073762376 /nfs/dbraw/zinc/76/23/76/1073762376.db2.gz GZPOUSZWXSKSAO-IEBWSBKVSA-N 1 2 430.484 -0.234 20 0 IBADLO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001293932193 1073762394 /nfs/dbraw/zinc/76/23/94/1073762394.db2.gz GZPOUSZWXSKSAO-MJGOQNOKSA-N 1 2 430.484 -0.234 20 0 IBADLO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001293932194 1073762906 /nfs/dbraw/zinc/76/29/06/1073762906.db2.gz GZPOUSZWXSKSAO-PKOBYXMFSA-N 1 2 430.484 -0.234 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690895 1073764923 /nfs/dbraw/zinc/76/49/23/1073764923.db2.gz MYGRTVRHSNZCIU-AEFFLSMTSA-N 1 2 441.550 -0.091 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690896 1073764936 /nfs/dbraw/zinc/76/49/36/1073764936.db2.gz MYGRTVRHSNZCIU-FUHWJXTLSA-N 1 2 441.550 -0.091 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690897 1073765000 /nfs/dbraw/zinc/76/50/00/1073765000.db2.gz MYGRTVRHSNZCIU-SJLPKXTDSA-N 1 2 441.550 -0.091 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690898 1073765010 /nfs/dbraw/zinc/76/50/10/1073765010.db2.gz MYGRTVRHSNZCIU-WMZOPIPTSA-N 1 2 441.550 -0.091 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C)CC1 ZINC001295338920 1073771813 /nfs/dbraw/zinc/77/18/13/1073771813.db2.gz PNHWAOAFBSVZAB-UHFFFAOYSA-N 1 2 429.529 -0.186 20 0 IBADLO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001295429395 1073772488 /nfs/dbraw/zinc/77/24/88/1073772488.db2.gz NOGRAPZUJTYCJH-KRWDZBQOSA-N 1 2 430.509 -0.199 20 0 IBADLO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295429400 1073772265 /nfs/dbraw/zinc/77/22/65/1073772265.db2.gz NOGRAPZUJTYCJH-QGZVFWFLSA-N 1 2 430.509 -0.199 20 0 IBADLO CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001295920476 1073776669 /nfs/dbraw/zinc/77/66/69/1073776669.db2.gz TZTIMGQIKMMBER-HNNXBMFYSA-N 1 2 440.574 -0.079 20 0 IBADLO CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001295920477 1073776603 /nfs/dbraw/zinc/77/66/03/1073776603.db2.gz TZTIMGQIKMMBER-OAHLLOKOSA-N 1 2 440.574 -0.079 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295997513 1073777861 /nfs/dbraw/zinc/77/78/61/1073777861.db2.gz RHDMFYKRTWPHMV-ILXRZTDVSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295997513 1073777857 /nfs/dbraw/zinc/77/78/57/1073777857.db2.gz RHDMFYKRTWPHMV-ILXRZTDVSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295997514 1073777986 /nfs/dbraw/zinc/77/79/86/1073777986.db2.gz RHDMFYKRTWPHMV-KKUMJFAQSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295997514 1073777979 /nfs/dbraw/zinc/77/79/79/1073777979.db2.gz RHDMFYKRTWPHMV-KKUMJFAQSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295997515 1073777850 /nfs/dbraw/zinc/77/78/50/1073777850.db2.gz RHDMFYKRTWPHMV-QLFBSQMISA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295997515 1073777849 /nfs/dbraw/zinc/77/78/49/1073777849.db2.gz RHDMFYKRTWPHMV-QLFBSQMISA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295997516 1073777761 /nfs/dbraw/zinc/77/77/61/1073777761.db2.gz RHDMFYKRTWPHMV-SOUVJXGZSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295997516 1073777757 /nfs/dbraw/zinc/77/77/57/1073777757.db2.gz RHDMFYKRTWPHMV-SOUVJXGZSA-N 1 2 448.615 -0.352 20 0 IBADLO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001296109805 1073779136 /nfs/dbraw/zinc/77/91/36/1073779136.db2.gz AXHNBCFWNGCFHG-KRWDZBQOSA-N 1 2 446.556 -0.548 20 0 IBADLO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001296109807 1073779070 /nfs/dbraw/zinc/77/90/70/1073779070.db2.gz AXHNBCFWNGCFHG-QGZVFWFLSA-N 1 2 446.556 -0.548 20 0 IBADLO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001296291637 1073783945 /nfs/dbraw/zinc/78/39/45/1073783945.db2.gz YQRRNGPLCUAESO-INIZCTEOSA-N 1 2 442.524 -0.061 20 0 IBADLO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001296291638 1073784081 /nfs/dbraw/zinc/78/40/81/1073784081.db2.gz YQRRNGPLCUAESO-MRXNPFEDSA-N 1 2 442.524 -0.061 20 0 IBADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296588790 1073789293 /nfs/dbraw/zinc/78/92/93/1073789293.db2.gz QYWZZGLOVNNMDN-DYESRHJHSA-N 1 2 449.556 -0.594 20 0 IBADLO CCO[C@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296588791 1073789277 /nfs/dbraw/zinc/78/92/77/1073789277.db2.gz QYWZZGLOVNNMDN-LAUBAEHRSA-N 1 2 449.556 -0.594 20 0 IBADLO CCO[C@@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296588792 1073789395 /nfs/dbraw/zinc/78/93/95/1073789395.db2.gz QYWZZGLOVNNMDN-UTKZUKDTSA-N 1 2 449.556 -0.594 20 0 IBADLO CCO[C@@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296588793 1073789312 /nfs/dbraw/zinc/78/93/12/1073789312.db2.gz QYWZZGLOVNNMDN-UWJYYQICSA-N 1 2 449.556 -0.594 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001297290838 1073797044 /nfs/dbraw/zinc/79/70/44/1073797044.db2.gz QWCWPTIHVZJZHS-IBGZPJMESA-N 1 2 443.570 -0.335 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001297290839 1073796904 /nfs/dbraw/zinc/79/69/04/1073796904.db2.gz QWCWPTIHVZJZHS-LJQANCHMSA-N 1 2 443.570 -0.335 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001297292807 1073797090 /nfs/dbraw/zinc/79/70/90/1073797090.db2.gz HRHLIUPDZVOEAZ-KRWDZBQOSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001297292807 1073797084 /nfs/dbraw/zinc/79/70/84/1073797084.db2.gz HRHLIUPDZVOEAZ-KRWDZBQOSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001297292808 1073797027 /nfs/dbraw/zinc/79/70/27/1073797027.db2.gz HRHLIUPDZVOEAZ-QGZVFWFLSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001297292808 1073797022 /nfs/dbraw/zinc/79/70/22/1073797022.db2.gz HRHLIUPDZVOEAZ-QGZVFWFLSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001297304906 1073797473 /nfs/dbraw/zinc/79/74/73/1073797473.db2.gz KSCYTKLOHDXXFT-UHFFFAOYSA-N 1 2 437.545 -0.726 20 0 IBADLO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001297307199 1073797623 /nfs/dbraw/zinc/79/76/23/1073797623.db2.gz COSBZTTYEZZVOJ-HNNXBMFYSA-N 1 2 428.497 -0.141 20 0 IBADLO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001297307201 1073797655 /nfs/dbraw/zinc/79/76/55/1073797655.db2.gz COSBZTTYEZZVOJ-OAHLLOKOSA-N 1 2 428.497 -0.141 20 0 IBADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001297308537 1073798003 /nfs/dbraw/zinc/79/80/03/1073798003.db2.gz ZJNFDAKMYOWYIU-UHFFFAOYSA-N 1 2 443.574 -0.940 20 0 IBADLO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001297308564 1073798660 /nfs/dbraw/zinc/79/86/60/1073798660.db2.gz ZWAQDYFYSSCIAP-HNNXBMFYSA-N 1 2 428.497 -0.529 20 0 IBADLO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001297308565 1073798568 /nfs/dbraw/zinc/79/85/68/1073798568.db2.gz ZWAQDYFYSSCIAP-OAHLLOKOSA-N 1 2 428.497 -0.529 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C2 ZINC001297645513 1073802141 /nfs/dbraw/zinc/80/21/41/1073802141.db2.gz JECRFAFTJFZJDJ-AEFFLSMTSA-N 1 2 445.495 -0.101 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C2 ZINC001297645518 1073801922 /nfs/dbraw/zinc/80/19/22/1073801922.db2.gz JECRFAFTJFZJDJ-FUHWJXTLSA-N 1 2 445.495 -0.101 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C2 ZINC001297645519 1073802026 /nfs/dbraw/zinc/80/20/26/1073802026.db2.gz JECRFAFTJFZJDJ-SJLPKXTDSA-N 1 2 445.495 -0.101 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C2 ZINC001297645521 1073802003 /nfs/dbraw/zinc/80/20/03/1073802003.db2.gz JECRFAFTJFZJDJ-WMZOPIPTSA-N 1 2 445.495 -0.101 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC3)CC1 ZINC001297661450 1073802015 /nfs/dbraw/zinc/80/20/15/1073802015.db2.gz DCRQCYBYJXOKIM-CVEARBPZSA-N 1 2 437.566 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC3)CC1 ZINC001297661451 1073802176 /nfs/dbraw/zinc/80/21/76/1073802176.db2.gz DCRQCYBYJXOKIM-HOTGVXAUSA-N 1 2 437.566 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC3)CC1 ZINC001297661452 1073801891 /nfs/dbraw/zinc/80/18/91/1073801891.db2.gz DCRQCYBYJXOKIM-HZPDHXFCSA-N 1 2 437.566 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC3)CC1 ZINC001297661453 1073801958 /nfs/dbraw/zinc/80/19/58/1073801958.db2.gz DCRQCYBYJXOKIM-JKSUJKDBSA-N 1 2 437.566 -0.226 20 0 IBADLO CCC[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)S(N)(=O)=O ZINC001297662351 1073802943 /nfs/dbraw/zinc/80/29/43/1073802943.db2.gz JJBJMZCDJNUKAH-PBHICJAKSA-N 1 2 440.570 -0.594 20 0 IBADLO CCC[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)S(N)(=O)=O ZINC001297662353 1073802829 /nfs/dbraw/zinc/80/28/29/1073802829.db2.gz JJBJMZCDJNUKAH-RHSMWYFYSA-N 1 2 440.570 -0.594 20 0 IBADLO CCC[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)S(N)(=O)=O ZINC001297662354 1073802905 /nfs/dbraw/zinc/80/29/05/1073802905.db2.gz JJBJMZCDJNUKAH-WMLDXEAASA-N 1 2 440.570 -0.594 20 0 IBADLO CCC[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)S(N)(=O)=O ZINC001297662356 1073802785 /nfs/dbraw/zinc/80/27/85/1073802785.db2.gz JJBJMZCDJNUKAH-YOEHRIQHSA-N 1 2 440.570 -0.594 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNC(=O)N2CCCC2)CC3)CC1 ZINC001297663775 1073802811 /nfs/dbraw/zinc/80/28/11/1073802811.db2.gz QRWNKCDEUGCIEZ-INIZCTEOSA-N 1 2 431.541 -0.245 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNC(=O)N2CCCC2)CC3)CC1 ZINC001297663776 1073802855 /nfs/dbraw/zinc/80/28/55/1073802855.db2.gz QRWNKCDEUGCIEZ-MRXNPFEDSA-N 1 2 431.541 -0.245 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC3)CC1 ZINC001297664265 1073802556 /nfs/dbraw/zinc/80/25/56/1073802556.db2.gz TWOHOYGQJSXFJD-FCEWJHQRSA-N 1 2 446.552 -0.238 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC3)CC1 ZINC001297664266 1073802528 /nfs/dbraw/zinc/80/25/28/1073802528.db2.gz TWOHOYGQJSXFJD-MDZRGWNJSA-N 1 2 446.552 -0.238 20 0 IBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001297701769 1073804632 /nfs/dbraw/zinc/80/46/32/1073804632.db2.gz HXNJBJKKIQJWAT-CABCVRRESA-N 1 2 445.563 -0.310 20 0 IBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001297701770 1073804446 /nfs/dbraw/zinc/80/44/46/1073804446.db2.gz HXNJBJKKIQJWAT-GJZGRUSLSA-N 1 2 445.563 -0.310 20 0 IBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001297701771 1073804678 /nfs/dbraw/zinc/80/46/78/1073804678.db2.gz HXNJBJKKIQJWAT-HUUCEWRRSA-N 1 2 445.563 -0.310 20 0 IBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001297701772 1073804530 /nfs/dbraw/zinc/80/45/30/1073804530.db2.gz HXNJBJKKIQJWAT-LSDHHAIUSA-N 1 2 445.563 -0.310 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001297892020 1073811624 /nfs/dbraw/zinc/81/16/24/1073811624.db2.gz KMNAIEJCWVSSMY-ARFHVFGLSA-N 1 2 426.514 -0.737 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001297892021 1073811726 /nfs/dbraw/zinc/81/17/26/1073811726.db2.gz KMNAIEJCWVSSMY-BZUAXINKSA-N 1 2 426.514 -0.737 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC001298008697 1073815070 /nfs/dbraw/zinc/81/50/70/1073815070.db2.gz RXRANCGPOCWAPV-OKILXGFUSA-N 1 2 430.552 -0.358 20 0 IBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC001298008697 1073815061 /nfs/dbraw/zinc/81/50/61/1073815061.db2.gz RXRANCGPOCWAPV-OKILXGFUSA-N 1 2 430.552 -0.358 20 0 IBADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001298014296 1073815573 /nfs/dbraw/zinc/81/55/73/1073815573.db2.gz ZSLSZNUVADRCGO-KRWDZBQOSA-N 1 2 441.550 -0.199 20 0 IBADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001298014297 1073815695 /nfs/dbraw/zinc/81/56/95/1073815695.db2.gz ZSLSZNUVADRCGO-QGZVFWFLSA-N 1 2 441.550 -0.199 20 0 IBADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001298065124 1073817285 /nfs/dbraw/zinc/81/72/85/1073817285.db2.gz INDPORVEGWEPMD-BEIWTESXSA-N 1 2 443.566 -0.530 20 0 IBADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001298065125 1073817377 /nfs/dbraw/zinc/81/73/77/1073817377.db2.gz INDPORVEGWEPMD-DFYVNMARSA-N 1 2 443.566 -0.530 20 0 IBADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001298065126 1073817497 /nfs/dbraw/zinc/81/74/97/1073817497.db2.gz INDPORVEGWEPMD-JTBPQFFMSA-N 1 2 443.566 -0.530 20 0 IBADLO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001298065127 1073817471 /nfs/dbraw/zinc/81/74/71/1073817471.db2.gz INDPORVEGWEPMD-XHDOVSQSSA-N 1 2 443.566 -0.530 20 0 IBADLO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001298104435 1073818865 /nfs/dbraw/zinc/81/88/65/1073818865.db2.gz RVZLIKCOXGOANZ-HNNXBMFYSA-N 1 2 448.553 -0.158 20 0 IBADLO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001298104437 1073818777 /nfs/dbraw/zinc/81/87/77/1073818777.db2.gz RVZLIKCOXGOANZ-OAHLLOKOSA-N 1 2 448.553 -0.158 20 0 IBADLO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001298230470 1073821775 /nfs/dbraw/zinc/82/17/75/1073821775.db2.gz FOVZUXZFKHUYCH-BBRMVZONSA-N 1 2 426.520 -0.294 20 0 IBADLO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001298230471 1073821753 /nfs/dbraw/zinc/82/17/53/1073821753.db2.gz FOVZUXZFKHUYCH-CJNGLKHVSA-N 1 2 426.520 -0.294 20 0 IBADLO CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001298230472 1073821724 /nfs/dbraw/zinc/82/17/24/1073821724.db2.gz FOVZUXZFKHUYCH-CZUORRHYSA-N 1 2 426.520 -0.294 20 0 IBADLO CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001298230473 1073821934 /nfs/dbraw/zinc/82/19/34/1073821934.db2.gz FOVZUXZFKHUYCH-XJKSGUPXSA-N 1 2 426.520 -0.294 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 ZINC001298734066 1073824624 /nfs/dbraw/zinc/82/46/24/1073824624.db2.gz WYPZPVAWBNBMCQ-UHFFFAOYSA-N 1 2 449.556 -0.469 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 ZINC001298736386 1073825333 /nfs/dbraw/zinc/82/53/33/1073825333.db2.gz FNCMIVQKMOWITN-HNNXBMFYSA-N 1 2 435.529 -0.720 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 ZINC001298736390 1073825380 /nfs/dbraw/zinc/82/53/80/1073825380.db2.gz FNCMIVQKMOWITN-OAHLLOKOSA-N 1 2 435.529 -0.720 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccn[nH]1 ZINC001298737134 1073825204 /nfs/dbraw/zinc/82/52/04/1073825204.db2.gz OALYMHFFYLURFI-AWEZNQCLSA-N 1 2 431.501 -0.849 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccn[nH]1 ZINC001298737135 1073825393 /nfs/dbraw/zinc/82/53/93/1073825393.db2.gz OALYMHFFYLURFI-CQSZACIVSA-N 1 2 431.501 -0.849 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O ZINC001298737399 1073825238 /nfs/dbraw/zinc/82/52/38/1073825238.db2.gz SYLFIUKWAKMAHL-UHFFFAOYSA-N 1 2 438.558 -0.518 20 0 IBADLO CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001298737847 1073825350 /nfs/dbraw/zinc/82/53/50/1073825350.db2.gz DSNBTRCJTUJMDA-UHFFFAOYSA-N 1 2 437.570 -0.076 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCOCC2)CC1 ZINC001298742995 1073825424 /nfs/dbraw/zinc/82/54/24/1073825424.db2.gz DQAXFFGQLDICSJ-AWEZNQCLSA-N 1 2 441.558 -0.921 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+]2CCOCC2)CC1 ZINC001298742999 1073825940 /nfs/dbraw/zinc/82/59/40/1073825940.db2.gz DQAXFFGQLDICSJ-CQSZACIVSA-N 1 2 441.558 -0.921 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001298747820 1073826930 /nfs/dbraw/zinc/82/69/30/1073826930.db2.gz FSADCJKXUVQUKQ-OAHLLOKOSA-N 1 2 428.559 -0.020 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001299127767 1073840103 /nfs/dbraw/zinc/84/01/03/1073840103.db2.gz GRBNWWOHZCGTFB-INIZCTEOSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001299127767 1073840088 /nfs/dbraw/zinc/84/00/88/1073840088.db2.gz GRBNWWOHZCGTFB-INIZCTEOSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001299127768 1073840198 /nfs/dbraw/zinc/84/01/98/1073840198.db2.gz GRBNWWOHZCGTFB-MRXNPFEDSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001299127768 1073840191 /nfs/dbraw/zinc/84/01/91/1073840191.db2.gz GRBNWWOHZCGTFB-MRXNPFEDSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001299144375 1073843893 /nfs/dbraw/zinc/84/38/93/1073843893.db2.gz BOGQHAYBHCYLHZ-AEFFLSMTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001299144383 1073843785 /nfs/dbraw/zinc/84/37/85/1073843785.db2.gz BOGQHAYBHCYLHZ-FUHWJXTLSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001299144385 1073843881 /nfs/dbraw/zinc/84/38/81/1073843881.db2.gz BOGQHAYBHCYLHZ-SJLPKXTDSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001299144387 1073843698 /nfs/dbraw/zinc/84/36/98/1073843698.db2.gz BOGQHAYBHCYLHZ-WMZOPIPTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001299146493 1073843846 /nfs/dbraw/zinc/84/38/46/1073843846.db2.gz LUEWAEHWYDVEPW-MSOLQXFVSA-N 1 2 449.556 -0.713 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001299146495 1073843817 /nfs/dbraw/zinc/84/38/17/1073843817.db2.gz LUEWAEHWYDVEPW-QZTJIDSGSA-N 1 2 449.556 -0.713 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001299146497 1073843911 /nfs/dbraw/zinc/84/39/11/1073843911.db2.gz LUEWAEHWYDVEPW-ROUUACIJSA-N 1 2 449.556 -0.713 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001299146498 1073843936 /nfs/dbraw/zinc/84/39/36/1073843936.db2.gz LUEWAEHWYDVEPW-ZWKOTPCHSA-N 1 2 449.556 -0.713 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001299155430 1070921863 /nfs/dbraw/zinc/92/18/63/1070921863.db2.gz RCGHWPFBYDQDTN-MSOLQXFVSA-N 1 2 446.556 -0.188 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001299155431 1070921748 /nfs/dbraw/zinc/92/17/48/1070921748.db2.gz RCGHWPFBYDQDTN-QZTJIDSGSA-N 1 2 446.556 -0.188 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001299155432 1070922615 /nfs/dbraw/zinc/92/26/15/1070922615.db2.gz RCGHWPFBYDQDTN-ROUUACIJSA-N 1 2 446.556 -0.188 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001299155433 1070922822 /nfs/dbraw/zinc/92/28/22/1070922822.db2.gz RCGHWPFBYDQDTN-ZWKOTPCHSA-N 1 2 446.556 -0.188 20 0 IBADLO CNC(=O)CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299224312 1072776663 /nfs/dbraw/zinc/77/66/63/1072776663.db2.gz LNXDMRQJVYMYTR-UHFFFAOYSA-N 1 2 445.572 -0.124 20 0 IBADLO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001299269132 1073132101 /nfs/dbraw/zinc/13/21/01/1073132101.db2.gz HZBCKWMOJWMWBZ-UHFFFAOYSA-N 1 2 436.561 -0.012 20 0 IBADLO CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299287932 1073247758 /nfs/dbraw/zinc/24/77/58/1073247758.db2.gz HUBGYULOGSEINH-INIZCTEOSA-N 1 2 434.545 -0.417 20 0 IBADLO CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299287933 1073247136 /nfs/dbraw/zinc/24/71/36/1073247136.db2.gz HUBGYULOGSEINH-MRXNPFEDSA-N 1 2 434.545 -0.417 20 0 IBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001299314287 1073459568 /nfs/dbraw/zinc/45/95/68/1073459568.db2.gz CAJAMBBRWWXSBC-HNNXBMFYSA-N 1 2 446.599 -0.739 20 0 IBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001299314288 1073459700 /nfs/dbraw/zinc/45/97/00/1073459700.db2.gz CAJAMBBRWWXSBC-OAHLLOKOSA-N 1 2 446.599 -0.739 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC001299319423 1073461751 /nfs/dbraw/zinc/46/17/51/1073461751.db2.gz SYQSWWJINYDRIF-APWZRJJASA-N 1 2 443.566 -0.172 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC001299319424 1073461695 /nfs/dbraw/zinc/46/16/95/1073461695.db2.gz SYQSWWJINYDRIF-LPHOPBHVSA-N 1 2 443.566 -0.172 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC001299319425 1073461743 /nfs/dbraw/zinc/46/17/43/1073461743.db2.gz SYQSWWJINYDRIF-QFBILLFUSA-N 1 2 443.566 -0.172 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC001299319426 1073461686 /nfs/dbraw/zinc/46/16/86/1073461686.db2.gz SYQSWWJINYDRIF-VQIMIIECSA-N 1 2 443.566 -0.172 20 0 IBADLO COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001299774455 1073845526 /nfs/dbraw/zinc/84/55/26/1073845526.db2.gz DGHNUVPXFFWANM-AWEZNQCLSA-N 1 2 428.559 -0.022 20 0 IBADLO COC1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001299774482 1073845763 /nfs/dbraw/zinc/84/57/63/1073845763.db2.gz DGHNUVPXFFWANM-CQSZACIVSA-N 1 2 428.559 -0.022 20 0 IBADLO CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001300182259 1074337770 /nfs/dbraw/zinc/33/77/70/1074337770.db2.gz WTJXRKNWWYMDFE-INIZCTEOSA-N 1 2 438.525 -0.820 20 0 IBADLO CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001300182264 1074338053 /nfs/dbraw/zinc/33/80/53/1074338053.db2.gz WTJXRKNWWYMDFE-MRXNPFEDSA-N 1 2 438.525 -0.820 20 0 IBADLO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001300554330 1074343988 /nfs/dbraw/zinc/34/39/88/1074343988.db2.gz DQUODRYPOPSSIK-HOIFWPIMSA-N 1 2 437.537 -0.016 20 0 IBADLO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001300554331 1074344017 /nfs/dbraw/zinc/34/40/17/1074344017.db2.gz DQUODRYPOPSSIK-JLHGSKIFSA-N 1 2 437.537 -0.016 20 0 IBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001300585627 1074344734 /nfs/dbraw/zinc/34/47/34/1074344734.db2.gz SBKCKIMKISPGAT-HNNXBMFYSA-N 1 2 448.586 -0.111 20 0 IBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001300585633 1074344666 /nfs/dbraw/zinc/34/46/66/1074344666.db2.gz SBKCKIMKISPGAT-OAHLLOKOSA-N 1 2 448.586 -0.111 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001300612546 1074345142 /nfs/dbraw/zinc/34/51/42/1074345142.db2.gz CCXUGFUBULQXQJ-NEPJUHHUSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001300612546 1074345133 /nfs/dbraw/zinc/34/51/33/1074345133.db2.gz CCXUGFUBULQXQJ-NEPJUHHUSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@@H](C)CO1 ZINC001300612547 1074345241 /nfs/dbraw/zinc/34/52/41/1074345241.db2.gz CCXUGFUBULQXQJ-NWDGAFQWSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@@H](C)CO1 ZINC001300612547 1074345234 /nfs/dbraw/zinc/34/52/34/1074345234.db2.gz CCXUGFUBULQXQJ-NWDGAFQWSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@@H](C)CO1 ZINC001300612548 1074345482 /nfs/dbraw/zinc/34/54/82/1074345482.db2.gz CCXUGFUBULQXQJ-RYUDHWBXSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@@H](C)CO1 ZINC001300612548 1074345474 /nfs/dbraw/zinc/34/54/74/1074345474.db2.gz CCXUGFUBULQXQJ-RYUDHWBXSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@H](C)CO1 ZINC001300612549 1074345666 /nfs/dbraw/zinc/34/56/66/1074345666.db2.gz CCXUGFUBULQXQJ-VXGBXAGGSA-N 1 2 432.930 -0.057 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@H](C)CO1 ZINC001300612549 1074345659 /nfs/dbraw/zinc/34/56/59/1074345659.db2.gz CCXUGFUBULQXQJ-VXGBXAGGSA-N 1 2 432.930 -0.057 20 0 IBADLO COc1cc[nH+]cc1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001300694426 1074346757 /nfs/dbraw/zinc/34/67/57/1074346757.db2.gz SLMSINMDISDQPZ-UHFFFAOYSA-N 1 2 429.481 -0.454 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CC(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001300892010 1073850669 /nfs/dbraw/zinc/85/06/69/1073850669.db2.gz LTNXMESTMNLJPW-UHFFFAOYSA-N 1 2 435.573 -0.064 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001300985303 1073854057 /nfs/dbraw/zinc/85/40/57/1073854057.db2.gz BHMSSTRYDADFCX-INIZCTEOSA-N 1 2 431.287 -0.557 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001300985303 1073854050 /nfs/dbraw/zinc/85/40/50/1073854050.db2.gz BHMSSTRYDADFCX-INIZCTEOSA-N 1 2 431.287 -0.557 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001300985304 1073853934 /nfs/dbraw/zinc/85/39/34/1073853934.db2.gz BHMSSTRYDADFCX-MRXNPFEDSA-N 1 2 431.287 -0.557 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001300985304 1073853922 /nfs/dbraw/zinc/85/39/22/1073853922.db2.gz BHMSSTRYDADFCX-MRXNPFEDSA-N 1 2 431.287 -0.557 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001300985398 1073853891 /nfs/dbraw/zinc/85/38/91/1073853891.db2.gz CUJOEMMNNIZAIN-FQEVSTJZSA-N 1 2 441.550 -0.355 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001300985398 1073853882 /nfs/dbraw/zinc/85/38/82/1073853882.db2.gz CUJOEMMNNIZAIN-FQEVSTJZSA-N 1 2 441.550 -0.355 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001300985399 1073853840 /nfs/dbraw/zinc/85/38/40/1073853840.db2.gz CUJOEMMNNIZAIN-HXUWFJFHSA-N 1 2 441.550 -0.355 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001300985399 1073853830 /nfs/dbraw/zinc/85/38/30/1073853830.db2.gz CUJOEMMNNIZAIN-HXUWFJFHSA-N 1 2 441.550 -0.355 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OC ZINC001300986507 1073853806 /nfs/dbraw/zinc/85/38/06/1073853806.db2.gz MSEKPAMTGIGOIW-IBGZPJMESA-N 1 2 427.523 -0.051 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OC ZINC001300986507 1073853797 /nfs/dbraw/zinc/85/37/97/1073853797.db2.gz MSEKPAMTGIGOIW-IBGZPJMESA-N 1 2 427.523 -0.051 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OC ZINC001300986511 1073853866 /nfs/dbraw/zinc/85/38/66/1073853866.db2.gz MSEKPAMTGIGOIW-LJQANCHMSA-N 1 2 427.523 -0.051 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OC ZINC001300986511 1073853858 /nfs/dbraw/zinc/85/38/58/1073853858.db2.gz MSEKPAMTGIGOIW-LJQANCHMSA-N 1 2 427.523 -0.051 20 0 IBADLO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001301093445 1073857891 /nfs/dbraw/zinc/85/78/91/1073857891.db2.gz PRNWOBWGCWTMHM-AWEZNQCLSA-N 1 2 442.563 -0.539 20 0 IBADLO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001301093461 1073857876 /nfs/dbraw/zinc/85/78/76/1073857876.db2.gz PRNWOBWGCWTMHM-CQSZACIVSA-N 1 2 442.563 -0.539 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001301180083 1073858925 /nfs/dbraw/zinc/85/89/25/1073858925.db2.gz GTPVFYZPXSSCKU-UHFFFAOYSA-N 1 2 441.554 -0.008 20 0 IBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001301180083 1073858918 /nfs/dbraw/zinc/85/89/18/1073858918.db2.gz GTPVFYZPXSSCKU-UHFFFAOYSA-N 1 2 441.554 -0.008 20 0 IBADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001301357326 1073860692 /nfs/dbraw/zinc/86/06/92/1073860692.db2.gz PHEJWHPJNAKDEA-INIZCTEOSA-N 1 2 447.511 -0.246 20 0 IBADLO NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001301357327 1073860665 /nfs/dbraw/zinc/86/06/65/1073860665.db2.gz PHEJWHPJNAKDEA-MRXNPFEDSA-N 1 2 447.511 -0.246 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301386548 1073861222 /nfs/dbraw/zinc/86/12/22/1073861222.db2.gz FAGSUJZOGZZZKD-BPQIPLTHSA-N 1 2 449.556 -0.367 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301386549 1073861210 /nfs/dbraw/zinc/86/12/10/1073861210.db2.gz FAGSUJZOGZZZKD-NJAFHUGGSA-N 1 2 449.556 -0.367 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301386550 1073861248 /nfs/dbraw/zinc/86/12/48/1073861248.db2.gz FAGSUJZOGZZZKD-RYQLBKOJSA-N 1 2 449.556 -0.367 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301386551 1073861096 /nfs/dbraw/zinc/86/10/96/1073861096.db2.gz FAGSUJZOGZZZKD-SZMVWBNQSA-N 1 2 449.556 -0.367 20 0 IBADLO COc1ccc(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1S(=O)(=O)N1CCOCC1 ZINC001301548291 1073866305 /nfs/dbraw/zinc/86/63/05/1073866305.db2.gz RKNGMNMXLSCNAJ-HNNXBMFYSA-N 1 2 438.506 -0.158 20 0 IBADLO COc1ccc(CC(=O)N[C@H](CO)c2c[nH+]cn2C)cc1S(=O)(=O)N1CCOCC1 ZINC001301548301 1073866589 /nfs/dbraw/zinc/86/65/89/1073866589.db2.gz RKNGMNMXLSCNAJ-OAHLLOKOSA-N 1 2 438.506 -0.158 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301714353 1073872329 /nfs/dbraw/zinc/87/23/29/1073872329.db2.gz MFXKFROELKXLPF-CABCVRRESA-N 1 2 443.574 -0.723 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301714355 1073872393 /nfs/dbraw/zinc/87/23/93/1073872393.db2.gz MFXKFROELKXLPF-GJZGRUSLSA-N 1 2 443.574 -0.723 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301714357 1073872353 /nfs/dbraw/zinc/87/23/53/1073872353.db2.gz MFXKFROELKXLPF-HUUCEWRRSA-N 1 2 443.574 -0.723 20 0 IBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301714358 1073872285 /nfs/dbraw/zinc/87/22/85/1073872285.db2.gz MFXKFROELKXLPF-LSDHHAIUSA-N 1 2 443.574 -0.723 20 0 IBADLO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001301736199 1073874181 /nfs/dbraw/zinc/87/41/81/1073874181.db2.gz GFXZUQJVYXXNNQ-HNNXBMFYSA-N 1 2 444.579 -0.075 20 0 IBADLO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001301736200 1073874282 /nfs/dbraw/zinc/87/42/82/1073874282.db2.gz GFXZUQJVYXXNNQ-OAHLLOKOSA-N 1 2 444.579 -0.075 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001301764713 1073875450 /nfs/dbraw/zinc/87/54/50/1073875450.db2.gz SEOCWYIVAJNQAN-GOSISDBHSA-N 1 2 439.586 -0.245 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001301764716 1073875085 /nfs/dbraw/zinc/87/50/85/1073875085.db2.gz SEOCWYIVAJNQAN-SFHVURJKSA-N 1 2 439.586 -0.245 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2cnccn2)CC1 ZINC001301766041 1073875353 /nfs/dbraw/zinc/87/53/53/1073875353.db2.gz AYDMSQQEYDBQLM-GOSISDBHSA-N 1 2 441.540 -0.138 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2cnccn2)CC1 ZINC001301766046 1073875394 /nfs/dbraw/zinc/87/53/94/1073875394.db2.gz AYDMSQQEYDBQLM-SFHVURJKSA-N 1 2 441.540 -0.138 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001301766364 1073875539 /nfs/dbraw/zinc/87/55/39/1073875539.db2.gz GSSHYUNDPKSIFA-UHFFFAOYSA-N 1 2 443.556 -0.332 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001301766413 1073875926 /nfs/dbraw/zinc/87/59/26/1073875926.db2.gz HYIFDXPTOWXSRV-CRAIPNDOSA-N 1 2 446.556 -0.550 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001301766415 1073876020 /nfs/dbraw/zinc/87/60/20/1073876020.db2.gz HYIFDXPTOWXSRV-MAUKXSAKSA-N 1 2 446.556 -0.550 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001301766417 1073876307 /nfs/dbraw/zinc/87/63/07/1073876307.db2.gz HYIFDXPTOWXSRV-QAPCUYQASA-N 1 2 446.556 -0.550 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001301766418 1073876120 /nfs/dbraw/zinc/87/61/20/1073876120.db2.gz HYIFDXPTOWXSRV-YJBOKZPZSA-N 1 2 446.556 -0.550 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001301770284 1073876084 /nfs/dbraw/zinc/87/60/84/1073876084.db2.gz KOYGAVNUCDUYMF-UHFFFAOYSA-N 1 2 448.616 -0.149 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001301770425 1073876178 /nfs/dbraw/zinc/87/61/78/1073876178.db2.gz MKSWNBMPOFMOQZ-UHFFFAOYSA-N 1 2 446.600 -0.395 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001301770995 1073876232 /nfs/dbraw/zinc/87/62/32/1073876232.db2.gz RMRODMROJVUMIM-UHFFFAOYSA-N 1 2 435.573 -0.064 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCNC(=O)CC2)CC1 ZINC001301772081 1073875821 /nfs/dbraw/zinc/87/58/21/1073875821.db2.gz ZOLVIMUKRGTKHC-UHFFFAOYSA-N 1 2 426.525 -0.246 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)CC2)CC1 ZINC001301774161 1073875903 /nfs/dbraw/zinc/87/59/03/1073875903.db2.gz BDOCWAYCDWMRNK-UHFFFAOYSA-N 1 2 443.556 -0.370 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001301774273 1073876048 /nfs/dbraw/zinc/87/60/48/1073876048.db2.gz CJAAXNJOFCNWFB-INIZCTEOSA-N 1 2 446.556 -0.769 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001301774274 1073875954 /nfs/dbraw/zinc/87/59/54/1073875954.db2.gz CJAAXNJOFCNWFB-MRXNPFEDSA-N 1 2 446.556 -0.769 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001301774864 1073876770 /nfs/dbraw/zinc/87/67/70/1073876770.db2.gz IMYSBCYKCRTWON-INIZCTEOSA-N 1 2 446.556 -0.769 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001301774865 1073876713 /nfs/dbraw/zinc/87/67/13/1073876713.db2.gz IMYSBCYKCRTWON-MRXNPFEDSA-N 1 2 446.556 -0.769 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)CC1 ZINC001301774963 1073876687 /nfs/dbraw/zinc/87/66/87/1073876687.db2.gz KHIROZPZJZMSNK-UHFFFAOYSA-N 1 2 429.591 -0.275 20 0 IBADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001301906447 1073882976 /nfs/dbraw/zinc/88/29/76/1073882976.db2.gz CSLMUHQIVCOZFT-CVEARBPZSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001301906447 1073882958 /nfs/dbraw/zinc/88/29/58/1073882958.db2.gz CSLMUHQIVCOZFT-CVEARBPZSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001301906448 1073883037 /nfs/dbraw/zinc/88/30/37/1073883037.db2.gz CSLMUHQIVCOZFT-HOTGVXAUSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001301906448 1073883023 /nfs/dbraw/zinc/88/30/23/1073883023.db2.gz CSLMUHQIVCOZFT-HOTGVXAUSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001301906594 1073882737 /nfs/dbraw/zinc/88/27/37/1073882737.db2.gz CSLMUHQIVCOZFT-HZPDHXFCSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001301906594 1073882723 /nfs/dbraw/zinc/88/27/23/1073882723.db2.gz CSLMUHQIVCOZFT-HZPDHXFCSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001301906596 1073882779 /nfs/dbraw/zinc/88/27/79/1073882779.db2.gz CSLMUHQIVCOZFT-JKSUJKDBSA-N 1 2 435.529 -0.755 20 0 IBADLO COCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001301906596 1073882766 /nfs/dbraw/zinc/88/27/66/1073882766.db2.gz CSLMUHQIVCOZFT-JKSUJKDBSA-N 1 2 435.529 -0.755 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001301913750 1073884769 /nfs/dbraw/zinc/88/47/69/1073884769.db2.gz SELBTMBRTSEROB-AEFFLSMTSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001301913750 1073884759 /nfs/dbraw/zinc/88/47/59/1073884759.db2.gz SELBTMBRTSEROB-AEFFLSMTSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001301913753 1073884675 /nfs/dbraw/zinc/88/46/75/1073884675.db2.gz SELBTMBRTSEROB-FUHWJXTLSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001301913753 1073884670 /nfs/dbraw/zinc/88/46/70/1073884670.db2.gz SELBTMBRTSEROB-FUHWJXTLSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001301913754 1073884898 /nfs/dbraw/zinc/88/48/98/1073884898.db2.gz SELBTMBRTSEROB-SJLPKXTDSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001301913754 1073884881 /nfs/dbraw/zinc/88/48/81/1073884881.db2.gz SELBTMBRTSEROB-SJLPKXTDSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001301913755 1073884942 /nfs/dbraw/zinc/88/49/42/1073884942.db2.gz SELBTMBRTSEROB-WMZOPIPTSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001301913755 1073884928 /nfs/dbraw/zinc/88/49/28/1073884928.db2.gz SELBTMBRTSEROB-WMZOPIPTSA-N 1 2 449.556 -0.538 20 0 IBADLO COCCN1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001301932639 1073886891 /nfs/dbraw/zinc/88/68/91/1073886891.db2.gz ZWJYJELKLSAMTN-GOSISDBHSA-N 1 2 449.556 -0.411 20 0 IBADLO COCCNC(=O)CN1CCN(c2nnc(C3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301961991 1073887793 /nfs/dbraw/zinc/88/77/93/1073887793.db2.gz WPEQFMHYWZCEKX-KRWDZBQOSA-N 1 2 435.573 -0.239 20 0 IBADLO COCCNC(=O)CN1CCN(c2nnc(C3CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301961993 1073887867 /nfs/dbraw/zinc/88/78/67/1073887867.db2.gz WPEQFMHYWZCEKX-QGZVFWFLSA-N 1 2 435.573 -0.239 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001301963268 1073888239 /nfs/dbraw/zinc/88/82/39/1073888239.db2.gz ZGHNLAHQWJJTPS-INIZCTEOSA-N 1 2 426.543 -0.376 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC001301963268 1073888228 /nfs/dbraw/zinc/88/82/28/1073888228.db2.gz ZGHNLAHQWJJTPS-INIZCTEOSA-N 1 2 426.543 -0.376 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C)CC1 ZINC001301981648 1073889336 /nfs/dbraw/zinc/88/93/36/1073889336.db2.gz MMCLPGYZOLVBHK-INIZCTEOSA-N 1 2 441.540 -0.044 20 0 IBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C)CC1 ZINC001301981657 1073889266 /nfs/dbraw/zinc/88/92/66/1073889266.db2.gz MMCLPGYZOLVBHK-MRXNPFEDSA-N 1 2 441.540 -0.044 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC001302045038 1073890397 /nfs/dbraw/zinc/89/03/97/1073890397.db2.gz AOTMEOLHRIQZIN-KRWDZBQOSA-N 1 2 434.522 -0.427 20 0 IBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC001302045039 1073890520 /nfs/dbraw/zinc/89/05/20/1073890520.db2.gz AOTMEOLHRIQZIN-QGZVFWFLSA-N 1 2 434.522 -0.427 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)CS2(=O)=O ZINC001302177781 1073894853 /nfs/dbraw/zinc/89/48/53/1073894853.db2.gz IOOVEQAUBAAGFG-FPCVCCKLSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)CS2(=O)=O ZINC001302177781 1073894847 /nfs/dbraw/zinc/89/48/47/1073894847.db2.gz IOOVEQAUBAAGFG-FPCVCCKLSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@@H](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)CS2(=O)=O ZINC001302177782 1073894713 /nfs/dbraw/zinc/89/47/13/1073894713.db2.gz IOOVEQAUBAAGFG-JJXSEGSLSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)CS2(=O)=O ZINC001302177782 1073894703 /nfs/dbraw/zinc/89/47/03/1073894703.db2.gz IOOVEQAUBAAGFG-JJXSEGSLSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC[N@H+]3CC[C@@H](O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001302177783 1073894753 /nfs/dbraw/zinc/89/47/53/1073894753.db2.gz IOOVEQAUBAAGFG-KLHDSHLOSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001302177783 1073894738 /nfs/dbraw/zinc/89/47/38/1073894738.db2.gz IOOVEQAUBAAGFG-KLHDSHLOSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC[N@H+]3CC[C@@H](O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001302177784 1073894799 /nfs/dbraw/zinc/89/47/99/1073894799.db2.gz IOOVEQAUBAAGFG-ZJIFWQFVSA-N 1 2 431.555 -0.161 20 0 IBADLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CS(=O)(=O)[C@@H]2C1 ZINC001302177784 1073894790 /nfs/dbraw/zinc/89/47/90/1073894790.db2.gz IOOVEQAUBAAGFG-ZJIFWQFVSA-N 1 2 431.555 -0.161 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC001302339822 1073899511 /nfs/dbraw/zinc/89/95/11/1073899511.db2.gz KFHQTQRXMSWPEP-KRWDZBQOSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC001302339822 1073899501 /nfs/dbraw/zinc/89/95/01/1073899501.db2.gz KFHQTQRXMSWPEP-KRWDZBQOSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC001302339823 1073899411 /nfs/dbraw/zinc/89/94/11/1073899411.db2.gz KFHQTQRXMSWPEP-QGZVFWFLSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC001302339823 1073899402 /nfs/dbraw/zinc/89/94/02/1073899402.db2.gz KFHQTQRXMSWPEP-QGZVFWFLSA-N 1 2 429.539 -0.281 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cn1C ZINC001302560682 1073915714 /nfs/dbraw/zinc/91/57/14/1073915714.db2.gz CLSDDXMHSJRTOW-UHFFFAOYSA-N 1 2 429.543 -0.071 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302862634 1073919116 /nfs/dbraw/zinc/91/91/16/1073919116.db2.gz FFGXINCUQDEGKW-HNNXBMFYSA-N 1 2 435.554 -0.119 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302862635 1073919151 /nfs/dbraw/zinc/91/91/51/1073919151.db2.gz FFGXINCUQDEGKW-OAHLLOKOSA-N 1 2 435.554 -0.119 20 0 IBADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302863939 1073919804 /nfs/dbraw/zinc/91/98/04/1073919804.db2.gz WSGRAZYICDBHMU-PBHICJAKSA-N 1 2 439.563 -0.047 20 0 IBADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302863940 1073919746 /nfs/dbraw/zinc/91/97/46/1073919746.db2.gz WSGRAZYICDBHMU-RHSMWYFYSA-N 1 2 439.563 -0.047 20 0 IBADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302863941 1073919790 /nfs/dbraw/zinc/91/97/90/1073919790.db2.gz WSGRAZYICDBHMU-WMLDXEAASA-N 1 2 439.563 -0.047 20 0 IBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001302863942 1073919698 /nfs/dbraw/zinc/91/96/98/1073919698.db2.gz WSGRAZYICDBHMU-YOEHRIQHSA-N 1 2 439.563 -0.047 20 0 IBADLO NS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001302888271 1073920826 /nfs/dbraw/zinc/92/08/26/1073920826.db2.gz PLAXGVVZEVVDDM-INIZCTEOSA-N 1 2 436.534 -0.601 20 0 IBADLO NS(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001302888272 1073920892 /nfs/dbraw/zinc/92/08/92/1073920892.db2.gz PLAXGVVZEVVDDM-MRXNPFEDSA-N 1 2 436.534 -0.601 20 0 IBADLO C[N@@H+](CCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)CCOCCO ZINC001303015599 1073923724 /nfs/dbraw/zinc/92/37/24/1073923724.db2.gz KUZKQSBZFGSJQR-HNNXBMFYSA-N 1 2 437.559 -0.533 20 0 IBADLO C[N@H+](CCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)CCOCCO ZINC001303015599 1073923717 /nfs/dbraw/zinc/92/37/17/1073923717.db2.gz KUZKQSBZFGSJQR-HNNXBMFYSA-N 1 2 437.559 -0.533 20 0 IBADLO C[N@@H+](CCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)CCOCCO ZINC001303015600 1073923827 /nfs/dbraw/zinc/92/38/27/1073923827.db2.gz KUZKQSBZFGSJQR-OAHLLOKOSA-N 1 2 437.559 -0.533 20 0 IBADLO C[N@H+](CCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)CCOCCO ZINC001303015600 1073923819 /nfs/dbraw/zinc/92/38/19/1073923819.db2.gz KUZKQSBZFGSJQR-OAHLLOKOSA-N 1 2 437.559 -0.533 20 0 IBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001303339915 1073932677 /nfs/dbraw/zinc/93/26/77/1073932677.db2.gz ZHOPRRCAGSIDFU-AWEZNQCLSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001303339915 1073932668 /nfs/dbraw/zinc/93/26/68/1073932668.db2.gz ZHOPRRCAGSIDFU-AWEZNQCLSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001303339916 1073932786 /nfs/dbraw/zinc/93/27/86/1073932786.db2.gz ZHOPRRCAGSIDFU-CQSZACIVSA-N 1 2 432.568 -0.111 20 0 IBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001303339916 1073932779 /nfs/dbraw/zinc/93/27/79/1073932779.db2.gz ZHOPRRCAGSIDFU-CQSZACIVSA-N 1 2 432.568 -0.111 20 0 IBADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303341755 1073933094 /nfs/dbraw/zinc/93/30/94/1073933094.db2.gz DVGDWTLELRVYRH-UHFFFAOYSA-N 1 2 445.590 -0.488 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001303405138 1073937316 /nfs/dbraw/zinc/93/73/16/1073937316.db2.gz IYAJCLLKXJSJOZ-IBGZPJMESA-N 1 2 440.570 -0.360 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001303405139 1073937245 /nfs/dbraw/zinc/93/72/45/1073937245.db2.gz IYAJCLLKXJSJOZ-LJQANCHMSA-N 1 2 440.570 -0.360 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303408686 1073937880 /nfs/dbraw/zinc/93/78/80/1073937880.db2.gz FSDCQWYNJWIMND-HNNXBMFYSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303408686 1073937876 /nfs/dbraw/zinc/93/78/76/1073937876.db2.gz FSDCQWYNJWIMND-HNNXBMFYSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001303408687 1073937852 /nfs/dbraw/zinc/93/78/52/1073937852.db2.gz FSDCQWYNJWIMND-OAHLLOKOSA-N 1 2 434.545 -0.259 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303408687 1073937847 /nfs/dbraw/zinc/93/78/47/1073937847.db2.gz FSDCQWYNJWIMND-OAHLLOKOSA-N 1 2 434.545 -0.259 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)[C@@H](C)O)cc1 ZINC001303550553 1073944117 /nfs/dbraw/zinc/94/41/17/1073944117.db2.gz RCFTXUZIVMVSRB-APWZRJJASA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)[C@@H](C)O)cc1 ZINC001303550553 1073944112 /nfs/dbraw/zinc/94/41/12/1073944112.db2.gz RCFTXUZIVMVSRB-APWZRJJASA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)[C@H](C)O)cc1 ZINC001303550559 1073944131 /nfs/dbraw/zinc/94/41/31/1073944131.db2.gz RCFTXUZIVMVSRB-LPHOPBHVSA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)[C@H](C)O)cc1 ZINC001303550559 1073944127 /nfs/dbraw/zinc/94/41/27/1073944127.db2.gz RCFTXUZIVMVSRB-LPHOPBHVSA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)[C@H](C)O)cc1 ZINC001303550561 1073944081 /nfs/dbraw/zinc/94/40/81/1073944081.db2.gz RCFTXUZIVMVSRB-QFBILLFUSA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)[C@H](C)O)cc1 ZINC001303550561 1073944076 /nfs/dbraw/zinc/94/40/76/1073944076.db2.gz RCFTXUZIVMVSRB-QFBILLFUSA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)[C@@H](C)O)cc1 ZINC001303550563 1073944065 /nfs/dbraw/zinc/94/40/65/1073944065.db2.gz RCFTXUZIVMVSRB-VQIMIIECSA-N 1 2 440.566 -0.355 20 0 IBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)[C@@H](C)O)cc1 ZINC001303550563 1073944059 /nfs/dbraw/zinc/94/40/59/1073944059.db2.gz RCFTXUZIVMVSRB-VQIMIIECSA-N 1 2 440.566 -0.355 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001303550585 1073943921 /nfs/dbraw/zinc/94/39/21/1073943921.db2.gz SBXKROGJCXSPLC-KRWDZBQOSA-N 1 2 435.500 -0.649 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001303550585 1073943914 /nfs/dbraw/zinc/94/39/14/1073943914.db2.gz SBXKROGJCXSPLC-KRWDZBQOSA-N 1 2 435.500 -0.649 20 0 IBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001303550586 1073943942 /nfs/dbraw/zinc/94/39/42/1073943942.db2.gz SBXKROGJCXSPLC-QGZVFWFLSA-N 1 2 435.500 -0.649 20 0 IBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001303550586 1073943936 /nfs/dbraw/zinc/94/39/36/1073943936.db2.gz SBXKROGJCXSPLC-QGZVFWFLSA-N 1 2 435.500 -0.649 20 0 IBADLO CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC001303564952 1073943987 /nfs/dbraw/zinc/94/39/87/1073943987.db2.gz SQENWCKSRWHHAT-INIZCTEOSA-N 1 2 444.598 -0.076 20 0 IBADLO CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC001303564953 1073944092 /nfs/dbraw/zinc/94/40/92/1073944092.db2.gz SQENWCKSRWHHAT-MRXNPFEDSA-N 1 2 444.598 -0.076 20 0 IBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303712087 1073946923 /nfs/dbraw/zinc/94/69/23/1073946923.db2.gz IHQQWTNMXRBWKH-GDBMZVCRSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303712088 1073947080 /nfs/dbraw/zinc/94/70/80/1073947080.db2.gz IHQQWTNMXRBWKH-GOEBONIOSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303712089 1073946947 /nfs/dbraw/zinc/94/69/47/1073946947.db2.gz IHQQWTNMXRBWKH-HOCLYGCPSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303712090 1073947015 /nfs/dbraw/zinc/94/70/15/1073947015.db2.gz IHQQWTNMXRBWKH-ZBFHGGJFSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303721819 1073947031 /nfs/dbraw/zinc/94/70/31/1073947031.db2.gz IDYWCVRNVZZSJS-DLBZAZTESA-N 1 2 442.586 -0.026 20 0 IBADLO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303721820 1073947133 /nfs/dbraw/zinc/94/71/33/1073947133.db2.gz IDYWCVRNVZZSJS-IAGOWNOFSA-N 1 2 442.586 -0.026 20 0 IBADLO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303721821 1073947568 /nfs/dbraw/zinc/94/75/68/1073947568.db2.gz IDYWCVRNVZZSJS-IRXDYDNUSA-N 1 2 442.586 -0.026 20 0 IBADLO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303721822 1073947517 /nfs/dbraw/zinc/94/75/17/1073947517.db2.gz IDYWCVRNVZZSJS-SJORKVTESA-N 1 2 442.586 -0.026 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756819 1073948008 /nfs/dbraw/zinc/94/80/08/1073948008.db2.gz UWHDXGCTDPTBPI-MSOLQXFVSA-N 1 2 435.573 -0.095 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756854 1073948210 /nfs/dbraw/zinc/94/82/10/1073948210.db2.gz UWHDXGCTDPTBPI-QZTJIDSGSA-N 1 2 435.573 -0.095 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756856 1073948075 /nfs/dbraw/zinc/94/80/75/1073948075.db2.gz UWHDXGCTDPTBPI-ROUUACIJSA-N 1 2 435.573 -0.095 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756858 1073948160 /nfs/dbraw/zinc/94/81/60/1073948160.db2.gz UWHDXGCTDPTBPI-ZWKOTPCHSA-N 1 2 435.573 -0.095 20 0 IBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001303757856 1073948178 /nfs/dbraw/zinc/94/81/78/1073948178.db2.gz QOLGWYZOJXGESA-UHFFFAOYSA-N 1 2 445.567 -0.316 20 0 IBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001303791222 1073949308 /nfs/dbraw/zinc/94/93/08/1073949308.db2.gz WKZBQTSCTVFLLN-AWEZNQCLSA-N 1 2 433.552 -0.405 20 0 IBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001303791223 1073949277 /nfs/dbraw/zinc/94/92/77/1073949277.db2.gz WKZBQTSCTVFLLN-CQSZACIVSA-N 1 2 433.552 -0.405 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@](C)(O)C1CC1 ZINC001303820145 1073951420 /nfs/dbraw/zinc/95/14/20/1073951420.db2.gz KIOIDUFBGVLRMV-KBXCAEBGSA-N 1 2 430.575 -0.182 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@](C)(O)C1CC1 ZINC001303820146 1073951438 /nfs/dbraw/zinc/95/14/38/1073951438.db2.gz KIOIDUFBGVLRMV-KDOFPFPSSA-N 1 2 430.575 -0.182 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@](C)(O)C1CC1 ZINC001303820147 1073951376 /nfs/dbraw/zinc/95/13/76/1073951376.db2.gz KIOIDUFBGVLRMV-KSSFIOAISA-N 1 2 430.575 -0.182 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@](C)(O)C1CC1 ZINC001303820148 1073951359 /nfs/dbraw/zinc/95/13/59/1073951359.db2.gz KIOIDUFBGVLRMV-RDTXWAMCSA-N 1 2 430.575 -0.182 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001303828334 1073953566 /nfs/dbraw/zinc/95/35/66/1073953566.db2.gz NCLYOXXPACYPLJ-KBPBESRZSA-N 1 2 441.558 -0.935 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001303828338 1073953521 /nfs/dbraw/zinc/95/35/21/1073953521.db2.gz NCLYOXXPACYPLJ-KGLIPLIRSA-N 1 2 441.558 -0.935 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001303828340 1073953444 /nfs/dbraw/zinc/95/34/44/1073953444.db2.gz NCLYOXXPACYPLJ-UONOGXRCSA-N 1 2 441.558 -0.935 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001303828342 1073953543 /nfs/dbraw/zinc/95/35/43/1073953543.db2.gz NCLYOXXPACYPLJ-ZIAGYGMSSA-N 1 2 441.558 -0.935 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303847260 1073955771 /nfs/dbraw/zinc/95/57/71/1073955771.db2.gz UXCJAZIZCPVMLF-QLFBSQMISA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303847260 1073955763 /nfs/dbraw/zinc/95/57/63/1073955763.db2.gz UXCJAZIZCPVMLF-QLFBSQMISA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303847261 1073955716 /nfs/dbraw/zinc/95/57/16/1073955716.db2.gz UXCJAZIZCPVMLF-SOUVJXGZSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303847261 1073955707 /nfs/dbraw/zinc/95/57/07/1073955707.db2.gz UXCJAZIZCPVMLF-SOUVJXGZSA-N 1 2 443.574 -0.689 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=O)N(C)C ZINC001303863258 1073957800 /nfs/dbraw/zinc/95/78/00/1073957800.db2.gz OVMQAMZJQPGNAB-AWEZNQCLSA-N 1 2 436.542 -0.302 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=O)N(C)C ZINC001303863259 1073957760 /nfs/dbraw/zinc/95/77/60/1073957760.db2.gz OVMQAMZJQPGNAB-CQSZACIVSA-N 1 2 436.542 -0.302 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303871421 1073961420 /nfs/dbraw/zinc/96/14/20/1073961420.db2.gz IXKYEEZNWPHJCW-CYBMUJFWSA-N 1 2 441.583 -0.034 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303871422 1073961397 /nfs/dbraw/zinc/96/13/97/1073961397.db2.gz IXKYEEZNWPHJCW-ZDUSSCGKSA-N 1 2 441.583 -0.034 20 0 IBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001303876018 1073962245 /nfs/dbraw/zinc/96/22/45/1073962245.db2.gz NSTBVIBEDWKATN-FPCVCCKLSA-N 1 2 430.575 -0.184 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303876020 1073962374 /nfs/dbraw/zinc/96/23/74/1073962374.db2.gz NSTBVIBEDWKATN-QXSJWSMHSA-N 1 2 430.575 -0.184 20 0 IBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001303876021 1073962423 /nfs/dbraw/zinc/96/24/23/1073962423.db2.gz NSTBVIBEDWKATN-UGUYLWEFSA-N 1 2 430.575 -0.184 20 0 IBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001303876022 1073962311 /nfs/dbraw/zinc/96/23/11/1073962311.db2.gz NSTBVIBEDWKATN-WCVJEAGWSA-N 1 2 430.575 -0.184 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001303884434 1073962902 /nfs/dbraw/zinc/96/29/02/1073962902.db2.gz BCXILOAFKHPBAT-FQEVSTJZSA-N 1 2 428.530 -0.081 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001303884434 1073962898 /nfs/dbraw/zinc/96/28/98/1073962898.db2.gz BCXILOAFKHPBAT-FQEVSTJZSA-N 1 2 428.530 -0.081 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001303884435 1073962794 /nfs/dbraw/zinc/96/27/94/1073962794.db2.gz BCXILOAFKHPBAT-HXUWFJFHSA-N 1 2 428.530 -0.081 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001303884435 1073962788 /nfs/dbraw/zinc/96/27/88/1073962788.db2.gz BCXILOAFKHPBAT-HXUWFJFHSA-N 1 2 428.530 -0.081 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC001303884885 1073963461 /nfs/dbraw/zinc/96/34/61/1073963461.db2.gz KLKSDLWCUXPHNA-UHFFFAOYSA-N 1 2 425.449 -0.018 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC001303884885 1073963455 /nfs/dbraw/zinc/96/34/55/1073963455.db2.gz KLKSDLWCUXPHNA-UHFFFAOYSA-N 1 2 425.449 -0.018 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001303885308 1073963364 /nfs/dbraw/zinc/96/33/64/1073963364.db2.gz NXEXGYCSRZPDPQ-UHFFFAOYSA-N 1 2 442.513 -0.260 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001303885308 1073963358 /nfs/dbraw/zinc/96/33/58/1073963358.db2.gz NXEXGYCSRZPDPQ-UHFFFAOYSA-N 1 2 442.513 -0.260 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001303885800 1073963435 /nfs/dbraw/zinc/96/34/35/1073963435.db2.gz QODQZIKEVUBJLJ-GOSISDBHSA-N 1 2 442.520 -0.184 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001303885800 1073963430 /nfs/dbraw/zinc/96/34/30/1073963430.db2.gz QODQZIKEVUBJLJ-GOSISDBHSA-N 1 2 442.520 -0.184 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001303885807 1073963544 /nfs/dbraw/zinc/96/35/44/1073963544.db2.gz QODQZIKEVUBJLJ-SFHVURJKSA-N 1 2 442.520 -0.184 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001303885807 1073963542 /nfs/dbraw/zinc/96/35/42/1073963542.db2.gz QODQZIKEVUBJLJ-SFHVURJKSA-N 1 2 442.520 -0.184 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001303885880 1073963415 /nfs/dbraw/zinc/96/34/15/1073963415.db2.gz SODAJWBZLKHAKC-UHFFFAOYSA-N 1 2 425.511 -0.796 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001303885880 1073963409 /nfs/dbraw/zinc/96/34/09/1073963409.db2.gz SODAJWBZLKHAKC-UHFFFAOYSA-N 1 2 425.511 -0.796 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC001303885886 1073963513 /nfs/dbraw/zinc/96/35/13/1073963513.db2.gz SVPSITPZOXKEQS-UHFFFAOYSA-N 1 2 440.302 -0.827 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC001303885886 1073963509 /nfs/dbraw/zinc/96/35/09/1073963509.db2.gz SVPSITPZOXKEQS-UHFFFAOYSA-N 1 2 440.302 -0.827 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303885948 1073963532 /nfs/dbraw/zinc/96/35/32/1073963532.db2.gz VESRXVLXLJUQMB-BRWVUGGUSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303885948 1073963528 /nfs/dbraw/zinc/96/35/28/1073963528.db2.gz VESRXVLXLJUQMB-BRWVUGGUSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303885954 1073963395 /nfs/dbraw/zinc/96/33/95/1073963395.db2.gz VESRXVLXLJUQMB-GVDBMIGSSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303885954 1073963388 /nfs/dbraw/zinc/96/33/88/1073963388.db2.gz VESRXVLXLJUQMB-GVDBMIGSSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303885955 1073963501 /nfs/dbraw/zinc/96/35/01/1073963501.db2.gz VESRXVLXLJUQMB-IXDOHACOSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303885955 1073963497 /nfs/dbraw/zinc/96/34/97/1073963497.db2.gz VESRXVLXLJUQMB-IXDOHACOSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303885957 1073963267 /nfs/dbraw/zinc/96/32/67/1073963267.db2.gz VESRXVLXLJUQMB-YESZJQIVSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303885957 1073963260 /nfs/dbraw/zinc/96/32/60/1073963260.db2.gz VESRXVLXLJUQMB-YESZJQIVSA-N 1 2 442.582 -0.624 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303886070 1073963312 /nfs/dbraw/zinc/96/33/12/1073963312.db2.gz YJTXFOYICBGXLU-HNNXBMFYSA-N 1 2 425.530 -0.218 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303886070 1073963308 /nfs/dbraw/zinc/96/33/08/1073963308.db2.gz YJTXFOYICBGXLU-HNNXBMFYSA-N 1 2 425.530 -0.218 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303886071 1073963485 /nfs/dbraw/zinc/96/34/85/1073963485.db2.gz YJTXFOYICBGXLU-OAHLLOKOSA-N 1 2 425.530 -0.218 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303886071 1073963480 /nfs/dbraw/zinc/96/34/80/1073963480.db2.gz YJTXFOYICBGXLU-OAHLLOKOSA-N 1 2 425.530 -0.218 20 0 IBADLO C[NH+](C)Cc1nc(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)co1 ZINC001304115783 1073967006 /nfs/dbraw/zinc/96/70/06/1073967006.db2.gz AQHBPSVKMRIVPN-UHFFFAOYSA-N 1 2 430.508 -0.266 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001304702146 1073973292 /nfs/dbraw/zinc/97/32/92/1073973292.db2.gz QDRJDABDZOPBDA-AWEZNQCLSA-N 1 2 449.541 -0.797 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001304702157 1073973376 /nfs/dbraw/zinc/97/33/76/1073973376.db2.gz QDRJDABDZOPBDA-CQSZACIVSA-N 1 2 449.541 -0.797 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001304702643 1073973368 /nfs/dbraw/zinc/97/33/68/1073973368.db2.gz XEGDIMDBUZZKPS-AWEZNQCLSA-N 1 2 434.526 -0.301 20 0 IBADLO Cc1nc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001304702644 1073973231 /nfs/dbraw/zinc/97/32/31/1073973231.db2.gz XEGDIMDBUZZKPS-CQSZACIVSA-N 1 2 434.526 -0.301 20 0 IBADLO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)n(C)n1 ZINC001304728588 1073973736 /nfs/dbraw/zinc/97/37/36/1073973736.db2.gz PQCXOALWXXCCFI-HNNXBMFYSA-N 1 2 440.574 -0.253 20 0 IBADLO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)n(C)n1 ZINC001304728599 1073973685 /nfs/dbraw/zinc/97/36/85/1073973685.db2.gz PQCXOALWXXCCFI-OAHLLOKOSA-N 1 2 440.574 -0.253 20 0 IBADLO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304848034 1073975798 /nfs/dbraw/zinc/97/57/98/1073975798.db2.gz MCPUIDWEXHFJEL-UHFFFAOYSA-N 1 2 442.524 -0.397 20 0 IBADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCS(=O)(=O)N(C)C ZINC001304859553 1073976886 /nfs/dbraw/zinc/97/68/86/1073976886.db2.gz ITCJTUSDSXYDCK-GOSISDBHSA-N 1 2 443.618 -0.291 20 0 IBADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCS(=O)(=O)N(C)C ZINC001304859555 1073976920 /nfs/dbraw/zinc/97/69/20/1073976920.db2.gz ITCJTUSDSXYDCK-SFHVURJKSA-N 1 2 443.618 -0.291 20 0 IBADLO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223157 1073982738 /nfs/dbraw/zinc/98/27/38/1073982738.db2.gz NBVBOKUFFNTKDO-ILXRZTDVSA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223157 1073982734 /nfs/dbraw/zinc/98/27/34/1073982734.db2.gz NBVBOKUFFNTKDO-ILXRZTDVSA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223168 1073982693 /nfs/dbraw/zinc/98/26/93/1073982693.db2.gz NBVBOKUFFNTKDO-KFWWJZLASA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223168 1073982687 /nfs/dbraw/zinc/98/26/87/1073982687.db2.gz NBVBOKUFFNTKDO-KFWWJZLASA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223170 1073982781 /nfs/dbraw/zinc/98/27/81/1073982781.db2.gz NBVBOKUFFNTKDO-QLFBSQMISA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223170 1073982776 /nfs/dbraw/zinc/98/27/76/1073982776.db2.gz NBVBOKUFFNTKDO-QLFBSQMISA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223172 1073982840 /nfs/dbraw/zinc/98/28/40/1073982840.db2.gz NBVBOKUFFNTKDO-RBSFLKMASA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O ZINC001305223172 1073982836 /nfs/dbraw/zinc/98/28/36/1073982836.db2.gz NBVBOKUFFNTKDO-RBSFLKMASA-N 1 2 431.584 -0.102 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233903 1073983156 /nfs/dbraw/zinc/98/31/56/1073983156.db2.gz HNGDFWRGNHZIAF-GDBMZVCRSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233903 1073983150 /nfs/dbraw/zinc/98/31/50/1073983150.db2.gz HNGDFWRGNHZIAF-GDBMZVCRSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233904 1073983404 /nfs/dbraw/zinc/98/34/04/1073983404.db2.gz HNGDFWRGNHZIAF-GOEBONIOSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233904 1073983387 /nfs/dbraw/zinc/98/33/87/1073983387.db2.gz HNGDFWRGNHZIAF-GOEBONIOSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233905 1073983359 /nfs/dbraw/zinc/98/33/59/1073983359.db2.gz HNGDFWRGNHZIAF-HOCLYGCPSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233905 1073983347 /nfs/dbraw/zinc/98/33/47/1073983347.db2.gz HNGDFWRGNHZIAF-HOCLYGCPSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233906 1073983285 /nfs/dbraw/zinc/98/32/85/1073983285.db2.gz HNGDFWRGNHZIAF-ZBFHGGJFSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305233906 1073983276 /nfs/dbraw/zinc/98/32/76/1073983276.db2.gz HNGDFWRGNHZIAF-ZBFHGGJFSA-N 1 2 435.529 -0.579 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234621 1073983204 /nfs/dbraw/zinc/98/32/04/1073983204.db2.gz UHIXWRXRDNKDPT-CABCVRRESA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234621 1073983197 /nfs/dbraw/zinc/98/31/97/1073983197.db2.gz UHIXWRXRDNKDPT-CABCVRRESA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234622 1073983324 /nfs/dbraw/zinc/98/33/24/1073983324.db2.gz UHIXWRXRDNKDPT-GJZGRUSLSA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234622 1073983312 /nfs/dbraw/zinc/98/33/12/1073983312.db2.gz UHIXWRXRDNKDPT-GJZGRUSLSA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234623 1073983179 /nfs/dbraw/zinc/98/31/79/1073983179.db2.gz UHIXWRXRDNKDPT-HUUCEWRRSA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234623 1073983172 /nfs/dbraw/zinc/98/31/72/1073983172.db2.gz UHIXWRXRDNKDPT-HUUCEWRRSA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234624 1073983961 /nfs/dbraw/zinc/98/39/61/1073983961.db2.gz UHIXWRXRDNKDPT-LSDHHAIUSA-N 1 2 441.558 -0.969 20 0 IBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001305234624 1073983958 /nfs/dbraw/zinc/98/39/58/1073983958.db2.gz UHIXWRXRDNKDPT-LSDHHAIUSA-N 1 2 441.558 -0.969 20 0 IBADLO CCc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306130705 1073991181 /nfs/dbraw/zinc/99/11/81/1073991181.db2.gz FRTSAHCTRLYTLB-GOSISDBHSA-N 1 2 446.556 -0.229 20 0 IBADLO CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306130713 1073991094 /nfs/dbraw/zinc/99/10/94/1073991094.db2.gz FRTSAHCTRLYTLB-SFHVURJKSA-N 1 2 446.556 -0.229 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306182977 1073992225 /nfs/dbraw/zinc/99/22/25/1073992225.db2.gz XMRCCIZJXWINRH-KRWDZBQOSA-N 1 2 449.556 -0.931 20 0 IBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306182979 1073992138 /nfs/dbraw/zinc/99/21/38/1073992138.db2.gz XMRCCIZJXWINRH-QGZVFWFLSA-N 1 2 449.556 -0.931 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001306189922 1073992823 /nfs/dbraw/zinc/99/28/23/1073992823.db2.gz GEQCHTDTCOBJFN-HNNXBMFYSA-N 1 2 427.575 -0.477 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001306189923 1073992718 /nfs/dbraw/zinc/99/27/18/1073992718.db2.gz GEQCHTDTCOBJFN-OAHLLOKOSA-N 1 2 427.575 -0.477 20 0 IBADLO CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306197281 1073993302 /nfs/dbraw/zinc/99/33/02/1073993302.db2.gz DWQZBQSTEMVJLD-UHFFFAOYSA-N 1 2 429.529 -0.409 20 0 IBADLO CCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306205425 1073993446 /nfs/dbraw/zinc/99/34/46/1073993446.db2.gz UZYORYPRDVRXCN-UHFFFAOYSA-N 1 2 432.573 -0.595 20 0 IBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306250962 1073994935 /nfs/dbraw/zinc/99/49/35/1073994935.db2.gz BKTWODVLJPVAGK-CVEARBPZSA-N 1 2 432.529 -0.892 20 0 IBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306250963 1073994823 /nfs/dbraw/zinc/99/48/23/1073994823.db2.gz BKTWODVLJPVAGK-HOTGVXAUSA-N 1 2 432.529 -0.892 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306250964 1073994811 /nfs/dbraw/zinc/99/48/11/1073994811.db2.gz BKTWODVLJPVAGK-HZPDHXFCSA-N 1 2 432.529 -0.892 20 0 IBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306250965 1073994748 /nfs/dbraw/zinc/99/47/48/1073994748.db2.gz BKTWODVLJPVAGK-JKSUJKDBSA-N 1 2 432.529 -0.892 20 0 IBADLO CCOC(=O)CCc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC001306927202 1073998473 /nfs/dbraw/zinc/99/84/73/1073998473.db2.gz IBMOWWVZKJOONM-UHFFFAOYSA-N 1 2 440.570 -0.105 20 0 IBADLO CCOC(=O)c1cnc(CC)nc1N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001306929081 1073998444 /nfs/dbraw/zinc/99/84/44/1073998444.db2.gz XYWOOVIMSLIEMR-UHFFFAOYSA-N 1 2 426.543 -0.170 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCCC3)CC2)cc1 ZINC001307538101 1074000405 /nfs/dbraw/zinc/00/04/05/1074000405.db2.gz BRNBWJCQUJOQCI-UHFFFAOYSA-N 1 2 430.552 -0.347 20 0 IBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1CCOC1 ZINC001307538804 1074000548 /nfs/dbraw/zinc/00/05/48/1074000548.db2.gz LQZQRNBIGNLXLS-PBHICJAKSA-N 1 2 433.552 -0.308 20 0 IBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1CCOC1 ZINC001307538812 1074000396 /nfs/dbraw/zinc/00/03/96/1074000396.db2.gz LQZQRNBIGNLXLS-RHSMWYFYSA-N 1 2 433.552 -0.308 20 0 IBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1CCOC1 ZINC001307538813 1074000452 /nfs/dbraw/zinc/00/04/52/1074000452.db2.gz LQZQRNBIGNLXLS-WMLDXEAASA-N 1 2 433.552 -0.308 20 0 IBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1CCOC1 ZINC001307538814 1074000475 /nfs/dbraw/zinc/00/04/75/1074000475.db2.gz LQZQRNBIGNLXLS-YOEHRIQHSA-N 1 2 433.552 -0.308 20 0 IBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCSCC3)CC2)cc1 ZINC001307539443 1074000368 /nfs/dbraw/zinc/00/03/68/1074000368.db2.gz QYPSMZOUAJSZRJ-UHFFFAOYSA-N 1 2 435.593 -0.102 20 0 IBADLO O=C(N1CCc2ccc([C@@H](O)C[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2C1)C(F)(F)F ZINC001307565688 1074000950 /nfs/dbraw/zinc/00/09/50/1074000950.db2.gz FNDAESPHTHAPRU-CVEARBPZSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@@H](O)C[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2C1)C(F)(F)F ZINC001307565688 1074000938 /nfs/dbraw/zinc/00/09/38/1074000938.db2.gz FNDAESPHTHAPRU-CVEARBPZSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@@H](O)C[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)cc2C1)C(F)(F)F ZINC001307565694 1074000767 /nfs/dbraw/zinc/00/07/67/1074000767.db2.gz FNDAESPHTHAPRU-HOTGVXAUSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@@H](O)C[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)cc2C1)C(F)(F)F ZINC001307565694 1074000761 /nfs/dbraw/zinc/00/07/61/1074000761.db2.gz FNDAESPHTHAPRU-HOTGVXAUSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@H](O)C[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2C1)C(F)(F)F ZINC001307565697 1074000834 /nfs/dbraw/zinc/00/08/34/1074000834.db2.gz FNDAESPHTHAPRU-HZPDHXFCSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@H](O)C[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2C1)C(F)(F)F ZINC001307565697 1074000825 /nfs/dbraw/zinc/00/08/25/1074000825.db2.gz FNDAESPHTHAPRU-HZPDHXFCSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@H](O)C[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)cc2C1)C(F)(F)F ZINC001307565699 1074001014 /nfs/dbraw/zinc/00/10/14/1074001014.db2.gz FNDAESPHTHAPRU-JKSUJKDBSA-N 1 2 440.422 -0.190 20 0 IBADLO O=C(N1CCc2ccc([C@H](O)C[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)cc2C1)C(F)(F)F ZINC001307565699 1074001004 /nfs/dbraw/zinc/00/10/04/1074001004.db2.gz FNDAESPHTHAPRU-JKSUJKDBSA-N 1 2 440.422 -0.190 20 0 IBADLO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(NS(N)(=O)=O)CC3)CC2)cc1 ZINC001307992183 1074005508 /nfs/dbraw/zinc/00/55/08/1074005508.db2.gz OVUXDKLNJYBRNK-UHFFFAOYSA-N 1 2 425.555 -0.403 20 0 IBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC001307992881 1074005623 /nfs/dbraw/zinc/00/56/23/1074005623.db2.gz RTGMJJRFVIICJX-UHFFFAOYSA-N 1 2 437.566 -0.477 20 0 IBADLO COc1ccc(CN2CCN(C(=O)C[NH2+]C3(C(N)=O)CCS(=O)(=O)CC3)CC2)cc1 ZINC001308020426 1074005941 /nfs/dbraw/zinc/00/59/41/1074005941.db2.gz VATQNGWLLFETPU-UHFFFAOYSA-N 1 2 438.550 -0.638 20 0 IBADLO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001308025547 1074006132 /nfs/dbraw/zinc/00/61/32/1074006132.db2.gz WSNSRKYULIYOAN-UHFFFAOYSA-N 1 2 432.550 -0.357 20 0 IBADLO NS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 ZINC001308033846 1074006271 /nfs/dbraw/zinc/00/62/71/1074006271.db2.gz FFGUUWWQTGXSKH-HNNXBMFYSA-N 1 2 436.456 -0.012 20 0 IBADLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 ZINC001308033847 1074006551 /nfs/dbraw/zinc/00/65/51/1074006551.db2.gz FFGUUWWQTGXSKH-OAHLLOKOSA-N 1 2 436.456 -0.012 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC001308043470 1074006559 /nfs/dbraw/zinc/00/65/59/1074006559.db2.gz HTWFQWPCLYDKPX-CVEARBPZSA-N 1 2 437.566 -0.171 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC001308043471 1074006502 /nfs/dbraw/zinc/00/65/02/1074006502.db2.gz HTWFQWPCLYDKPX-HOTGVXAUSA-N 1 2 437.566 -0.171 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC001308043472 1074006448 /nfs/dbraw/zinc/00/64/48/1074006448.db2.gz HTWFQWPCLYDKPX-HZPDHXFCSA-N 1 2 437.566 -0.171 20 0 IBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC001308043473 1074006339 /nfs/dbraw/zinc/00/63/39/1074006339.db2.gz HTWFQWPCLYDKPX-JKSUJKDBSA-N 1 2 437.566 -0.171 20 0 IBADLO O=C(C[NH+]1CCC(CO)(CO)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001308061324 1074006525 /nfs/dbraw/zinc/00/65/25/1074006525.db2.gz GAWBNNNYTAQTAD-UHFFFAOYSA-N 1 2 427.523 -0.287 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308094193 1074006892 /nfs/dbraw/zinc/00/68/92/1074006892.db2.gz UNZBBTDKBADWCX-HNNXBMFYSA-N 1 2 425.555 -0.865 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308094193 1074006887 /nfs/dbraw/zinc/00/68/87/1074006887.db2.gz UNZBBTDKBADWCX-HNNXBMFYSA-N 1 2 425.555 -0.865 20 0 IBADLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308094194 1074006959 /nfs/dbraw/zinc/00/69/59/1074006959.db2.gz UNZBBTDKBADWCX-OAHLLOKOSA-N 1 2 425.555 -0.865 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308094194 1074006951 /nfs/dbraw/zinc/00/69/51/1074006951.db2.gz UNZBBTDKBADWCX-OAHLLOKOSA-N 1 2 425.555 -0.865 20 0 IBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001308102201 1074007240 /nfs/dbraw/zinc/00/72/40/1074007240.db2.gz GIZCGZJPQIJOLS-SFHVURJKSA-N 1 2 438.550 -0.076 20 0 IBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001308102201 1074007231 /nfs/dbraw/zinc/00/72/31/1074007231.db2.gz GIZCGZJPQIJOLS-SFHVURJKSA-N 1 2 438.550 -0.076 20 0 IBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001308122960 1074007596 /nfs/dbraw/zinc/00/75/96/1074007596.db2.gz ZBXABXJUXSTUGU-GOSISDBHSA-N 1 2 436.575 -0.264 20 0 IBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001308122960 1074007589 /nfs/dbraw/zinc/00/75/89/1074007589.db2.gz ZBXABXJUXSTUGU-GOSISDBHSA-N 1 2 436.575 -0.264 20 0 IBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001308122961 1074007883 /nfs/dbraw/zinc/00/78/83/1074007883.db2.gz ZBXABXJUXSTUGU-SFHVURJKSA-N 1 2 436.575 -0.264 20 0 IBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001308122961 1074007877 /nfs/dbraw/zinc/00/78/77/1074007877.db2.gz ZBXABXJUXSTUGU-SFHVURJKSA-N 1 2 436.575 -0.264 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC001308128398 1074007723 /nfs/dbraw/zinc/00/77/23/1074007723.db2.gz PGRMMZSVQWVSKZ-GFCCVEGCSA-N 1 2 434.540 -0.506 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC001308128398 1074007712 /nfs/dbraw/zinc/00/77/12/1074007712.db2.gz PGRMMZSVQWVSKZ-GFCCVEGCSA-N 1 2 434.540 -0.506 20 0 IBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC001308128399 1074007638 /nfs/dbraw/zinc/00/76/38/1074007638.db2.gz PGRMMZSVQWVSKZ-LBPRGKRZSA-N 1 2 434.540 -0.506 20 0 IBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1S(=O)(=O)N(C)C ZINC001308128399 1074007629 /nfs/dbraw/zinc/00/76/29/1074007629.db2.gz PGRMMZSVQWVSKZ-LBPRGKRZSA-N 1 2 434.540 -0.506 20 0 IBADLO CCS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001308137701 1074007661 /nfs/dbraw/zinc/00/76/61/1074007661.db2.gz UZFDBPHFRRBFRK-UHFFFAOYSA-N 1 2 432.568 -0.604 20 0 IBADLO COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001308138574 1074007902 /nfs/dbraw/zinc/00/79/02/1074007902.db2.gz TXPKYJIMUOHXIB-GOSISDBHSA-N 1 2 430.505 -0.419 20 0 IBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001308138575 1074008287 /nfs/dbraw/zinc/00/82/87/1074008287.db2.gz TXPKYJIMUOHXIB-SFHVURJKSA-N 1 2 430.505 -0.419 20 0 IBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(Cc2ccnn2C)CC1 ZINC001308160587 1074008319 /nfs/dbraw/zinc/00/83/19/1074008319.db2.gz KUGKZCCRYBCJOE-INIZCTEOSA-N 1 2 434.566 -0.068 20 0 IBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(Cc2ccnn2C)CC1 ZINC001308160591 1074008123 /nfs/dbraw/zinc/00/81/23/1074008123.db2.gz KUGKZCCRYBCJOE-MRXNPFEDSA-N 1 2 434.566 -0.068 20 0 IBADLO COC(=O)COc1ccccc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001308585879 1074008174 /nfs/dbraw/zinc/00/81/74/1074008174.db2.gz GNDRCFFTCMDBCC-UHFFFAOYSA-N 1 2 426.539 -0.152 20 0 IBADLO C[C@H]1Cc2cccc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2O1 ZINC001309049612 1074009996 /nfs/dbraw/zinc/00/99/96/1074009996.db2.gz FROBWWCBZMFUMP-HNNXBMFYSA-N 1 2 444.579 -0.192 20 0 IBADLO C[C@@H]1Cc2cccc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2O1 ZINC001309049613 1074009845 /nfs/dbraw/zinc/00/98/45/1074009845.db2.gz FROBWWCBZMFUMP-OAHLLOKOSA-N 1 2 444.579 -0.192 20 0 IBADLO COc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001309050254 1074009907 /nfs/dbraw/zinc/00/99/07/1074009907.db2.gz LXFGJSSQCHDYSG-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO COC1CCN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001309061137 1074010316 /nfs/dbraw/zinc/01/03/16/1074010316.db2.gz VUIWWRQPJASTFF-UHFFFAOYSA-N 1 2 447.583 -0.521 20 0 IBADLO COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)n[nH]1 ZINC001309077365 1074010663 /nfs/dbraw/zinc/01/06/63/1074010663.db2.gz UARQMOOFIDOFFK-UHFFFAOYSA-N 1 2 443.526 -0.565 20 0 IBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001309100847 1074011178 /nfs/dbraw/zinc/01/11/78/1074011178.db2.gz JMSPANYJXBLHAO-UHFFFAOYSA-N 1 2 447.579 -0.292 20 0 IBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001309210793 1074012278 /nfs/dbraw/zinc/01/22/78/1074012278.db2.gz SLKGUNFHORQRPY-HNNXBMFYSA-N 1 2 431.584 -0.597 20 0 IBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001309210794 1074012159 /nfs/dbraw/zinc/01/21/59/1074012159.db2.gz SLKGUNFHORQRPY-OAHLLOKOSA-N 1 2 431.584 -0.597 20 0 IBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001309567262 1074016252 /nfs/dbraw/zinc/01/62/52/1074016252.db2.gz DFGLQLMBBZOLOX-HNNXBMFYSA-N 1 2 425.573 -0.931 20 0 IBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001309567263 1074016128 /nfs/dbraw/zinc/01/61/28/1074016128.db2.gz DFGLQLMBBZOLOX-OAHLLOKOSA-N 1 2 425.573 -0.931 20 0 IBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001309579926 1074016541 /nfs/dbraw/zinc/01/65/41/1074016541.db2.gz PNLINULSPPTCLI-HNNXBMFYSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001309579926 1074016538 /nfs/dbraw/zinc/01/65/38/1074016538.db2.gz PNLINULSPPTCLI-HNNXBMFYSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001309579927 1074016702 /nfs/dbraw/zinc/01/67/02/1074016702.db2.gz PNLINULSPPTCLI-OAHLLOKOSA-N 1 2 425.507 -0.373 20 0 IBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001309579927 1074016691 /nfs/dbraw/zinc/01/66/91/1074016691.db2.gz PNLINULSPPTCLI-OAHLLOKOSA-N 1 2 425.507 -0.373 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001309677679 1074017409 /nfs/dbraw/zinc/01/74/09/1074017409.db2.gz KBXCVHCHWMBWGA-ZWKOTPCHSA-N 1 2 444.579 -0.606 20 0 IBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001309677679 1074017405 /nfs/dbraw/zinc/01/74/05/1074017405.db2.gz KBXCVHCHWMBWGA-ZWKOTPCHSA-N 1 2 444.579 -0.606 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001309857302 1074021757 /nfs/dbraw/zinc/02/17/57/1074021757.db2.gz NBMTYZKZFPDGRB-JTQLQIEISA-N 1 2 428.272 -0.150 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001309857302 1074021751 /nfs/dbraw/zinc/02/17/51/1074021751.db2.gz NBMTYZKZFPDGRB-JTQLQIEISA-N 1 2 428.272 -0.150 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1I)[C@H]1C[N@@H+](C)CCN1C ZINC001309879324 1074022734 /nfs/dbraw/zinc/02/27/34/1074022734.db2.gz PDMXIDVZGXWZPM-NXEZZACHSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1I)[C@H]1C[N@H+](C)CCN1C ZINC001309879324 1074022724 /nfs/dbraw/zinc/02/27/24/1074022724.db2.gz PDMXIDVZGXWZPM-NXEZZACHSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1I)[C@@H]1C[N@@H+](C)CCN1C ZINC001309879325 1074022504 /nfs/dbraw/zinc/02/25/04/1074022504.db2.gz PDMXIDVZGXWZPM-UWVGGRQHSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1I)[C@@H]1C[N@H+](C)CCN1C ZINC001309879325 1074022496 /nfs/dbraw/zinc/02/24/96/1074022496.db2.gz PDMXIDVZGXWZPM-UWVGGRQHSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1I)[C@H]1C[N@@H+](C)CCN1C ZINC001309879326 1074022653 /nfs/dbraw/zinc/02/26/53/1074022653.db2.gz PDMXIDVZGXWZPM-VHSXEESVSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1I)[C@H]1C[N@H+](C)CCN1C ZINC001309879326 1074022648 /nfs/dbraw/zinc/02/26/48/1074022648.db2.gz PDMXIDVZGXWZPM-VHSXEESVSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1I)[C@@H]1C[N@@H+](C)CCN1C ZINC001309879327 1074022553 /nfs/dbraw/zinc/02/25/53/1074022553.db2.gz PDMXIDVZGXWZPM-ZJUUUORDSA-N 1 2 427.312 -0.063 20 0 IBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1I)[C@@H]1C[N@H+](C)CCN1C ZINC001309879327 1074022548 /nfs/dbraw/zinc/02/25/48/1074022548.db2.gz PDMXIDVZGXWZPM-ZJUUUORDSA-N 1 2 427.312 -0.063 20 0 IBADLO COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001309892577 1074022689 /nfs/dbraw/zinc/02/26/89/1074022689.db2.gz HVDQEUIQHWPNQU-AWEZNQCLSA-N 1 2 432.543 -0.180 20 0 IBADLO COC(=O)[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001309892578 1074022627 /nfs/dbraw/zinc/02/26/27/1074022627.db2.gz HVDQEUIQHWPNQU-CQSZACIVSA-N 1 2 432.543 -0.180 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+](C)CC1 ZINC001309892758 1074022681 /nfs/dbraw/zinc/02/26/81/1074022681.db2.gz IUTSQAWYQBEZLG-UHFFFAOYSA-N 1 2 446.595 -0.425 20 0 IBADLO CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+](C)CC1 ZINC001309892758 1074022675 /nfs/dbraw/zinc/02/26/75/1074022675.db2.gz IUTSQAWYQBEZLG-UHFFFAOYSA-N 1 2 446.595 -0.425 20 0 IBADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NS(=O)(=O)CCC[NH+]3CCOCC3)CC2=O)C1 ZINC001309925694 1074023796 /nfs/dbraw/zinc/02/37/96/1074023796.db2.gz APAUMPMKDIDTHJ-HNNXBMFYSA-N 1 2 446.570 -0.152 20 0 IBADLO CC(C)(C)OC(=O)N1CC(N2C[C@H](NS(=O)(=O)CCC[NH+]3CCOCC3)CC2=O)C1 ZINC001309925695 1074023782 /nfs/dbraw/zinc/02/37/82/1074023782.db2.gz APAUMPMKDIDTHJ-OAHLLOKOSA-N 1 2 446.570 -0.152 20 0 IBADLO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)cn2)CC1 ZINC001311359496 1074027252 /nfs/dbraw/zinc/02/72/52/1074027252.db2.gz YZXQDXWZQUTGGL-UHFFFAOYSA-N 1 2 436.542 -0.114 20 0 IBADLO COC(=O)N(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311380304 1074027161 /nfs/dbraw/zinc/02/71/61/1074027161.db2.gz KGTLTAADCBEPMO-UHFFFAOYSA-N 1 2 428.515 -0.469 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(CO)(CO)CC1 ZINC001311381406 1074027004 /nfs/dbraw/zinc/02/70/04/1074027004.db2.gz AUGUBSMCPBXXPT-UHFFFAOYSA-N 1 2 441.554 -0.690 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@](O)(C(F)F)C1 ZINC001311381470 1074027281 /nfs/dbraw/zinc/02/72/81/1074027281.db2.gz RHYMQPSQKRDQGQ-KRWDZBQOSA-N 1 2 433.481 -0.055 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@](O)(C(F)F)C1 ZINC001311381484 1074026986 /nfs/dbraw/zinc/02/69/86/1074026986.db2.gz RHYMQPSQKRDQGQ-QGZVFWFLSA-N 1 2 433.481 -0.055 20 0 IBADLO CCC[C@H](O)[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311381800 1074027021 /nfs/dbraw/zinc/02/70/21/1074027021.db2.gz UFJDFAACUVIZNT-CVEARBPZSA-N 1 2 429.543 -0.646 20 0 IBADLO CCC[C@H](O)[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311381806 1074026966 /nfs/dbraw/zinc/02/69/66/1074026966.db2.gz UFJDFAACUVIZNT-HOTGVXAUSA-N 1 2 429.543 -0.646 20 0 IBADLO CCC[C@@H](O)[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311381808 1074027724 /nfs/dbraw/zinc/02/77/24/1074027724.db2.gz UFJDFAACUVIZNT-HZPDHXFCSA-N 1 2 429.543 -0.646 20 0 IBADLO CCC[C@@H](O)[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311381811 1074027694 /nfs/dbraw/zinc/02/76/94/1074027694.db2.gz UFJDFAACUVIZNT-JKSUJKDBSA-N 1 2 429.543 -0.646 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCn2nncc2C1 ZINC001311381890 1074027740 /nfs/dbraw/zinc/02/77/40/1074027740.db2.gz DMXLDGVPEXNTLT-UHFFFAOYSA-N 1 2 434.526 -0.260 20 0 IBADLO CON(C)C(=O)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311381913 1074027679 /nfs/dbraw/zinc/02/76/79/1074027679.db2.gz FJGFQROIGQQVKO-AWEZNQCLSA-N 1 2 428.515 -0.759 20 0 IBADLO COC[C@@H]1C[C@@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311382300 1074027599 /nfs/dbraw/zinc/02/75/99/1074027599.db2.gz IEAMXKUFARZBGP-JKSUJKDBSA-N 1 2 427.527 -0.675 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(CCOC2=O)C1 ZINC001311382641 1074027513 /nfs/dbraw/zinc/02/75/13/1074027513.db2.gz LLECRHUFFHBULP-IBGZPJMESA-N 1 2 437.522 -0.118 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(CCOC2=O)C1 ZINC001311382642 1074027619 /nfs/dbraw/zinc/02/76/19/1074027619.db2.gz LLECRHUFFHBULP-LJQANCHMSA-N 1 2 437.522 -0.118 20 0 IBADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311382706 1074027630 /nfs/dbraw/zinc/02/76/30/1074027630.db2.gz OFDFILVIZHEFKO-HUUCEWRRSA-N 1 2 425.511 -0.358 20 0 IBADLO COc1nn(C)cc1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001311382854 1074027786 /nfs/dbraw/zinc/02/77/86/1074027786.db2.gz PXZDXYSNYPFWKJ-UHFFFAOYSA-N 1 2 437.526 -0.225 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(N2CCCC2=O)C1 ZINC001311382926 1074027562 /nfs/dbraw/zinc/02/75/62/1074027562.db2.gz SARUZRNANYFQRH-UHFFFAOYSA-N 1 2 436.538 -0.450 20 0 IBADLO CC[C@H](C)[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC001311383110 1074027662 /nfs/dbraw/zinc/02/76/62/1074027662.db2.gz VPQYYMLMQLAPBJ-HOCLYGCPSA-N 1 2 426.543 -0.267 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001311383316 1074027580 /nfs/dbraw/zinc/02/75/80/1074027580.db2.gz ZTIBADKDIMQFJZ-DLBZAZTESA-N 1 2 441.554 -0.834 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001311383317 1074027643 /nfs/dbraw/zinc/02/76/43/1074027643.db2.gz ZTIBADKDIMQFJZ-IAGOWNOFSA-N 1 2 441.554 -0.834 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001311383318 1074027709 /nfs/dbraw/zinc/02/77/09/1074027709.db2.gz ZTIBADKDIMQFJZ-IRXDYDNUSA-N 1 2 441.554 -0.834 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001311383319 1074027761 /nfs/dbraw/zinc/02/77/61/1074027761.db2.gz ZTIBADKDIMQFJZ-SJORKVTESA-N 1 2 441.554 -0.834 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC001311516907 1074029071 /nfs/dbraw/zinc/02/90/71/1074029071.db2.gz CGFVTSODUQXATH-UHFFFAOYSA-N 1 2 438.554 -0.119 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@]12COCCN1C(=O)COC2 ZINC001311729124 1074029350 /nfs/dbraw/zinc/02/93/50/1074029350.db2.gz WPPIYZAXPOKRQZ-JOCHJYFZSA-N 1 2 448.520 -0.175 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@]12COCCN1C(=O)COC2 ZINC001311729132 1074029440 /nfs/dbraw/zinc/02/94/40/1074029440.db2.gz WPPIYZAXPOKRQZ-QFIPXVFZSA-N 1 2 448.520 -0.175 20 0 IBADLO O=C(CCNC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC001311752292 1074029690 /nfs/dbraw/zinc/02/96/90/1074029690.db2.gz ANEZFAWQKLZICZ-INIZCTEOSA-N 1 2 439.538 -0.689 20 0 IBADLO O=C(CCNC(=O)N1CCS(=O)(=O)C[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC001311752293 1074029814 /nfs/dbraw/zinc/02/98/14/1074029814.db2.gz ANEZFAWQKLZICZ-MRXNPFEDSA-N 1 2 439.538 -0.689 20 0 IBADLO CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001311752807 1074029848 /nfs/dbraw/zinc/02/98/48/1074029848.db2.gz FVNHWQRJAUMXJI-DLBZAZTESA-N 1 2 448.524 -0.131 20 0 IBADLO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001311752808 1074029833 /nfs/dbraw/zinc/02/98/33/1074029833.db2.gz FVNHWQRJAUMXJI-IAGOWNOFSA-N 1 2 448.524 -0.131 20 0 IBADLO CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001311752809 1074029778 /nfs/dbraw/zinc/02/97/78/1074029778.db2.gz FVNHWQRJAUMXJI-IRXDYDNUSA-N 1 2 448.524 -0.131 20 0 IBADLO CCOC(=O)N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](CO)C1 ZINC001311752810 1074029741 /nfs/dbraw/zinc/02/97/41/1074029741.db2.gz FVNHWQRJAUMXJI-SJORKVTESA-N 1 2 448.524 -0.131 20 0 IBADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCN1S(C)(=O)=O ZINC001311755987 1074030260 /nfs/dbraw/zinc/03/02/60/1074030260.db2.gz ZIWVSEDRRKVWGF-MRXNPFEDSA-N 1 2 438.554 -0.204 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001311892201 1074031174 /nfs/dbraw/zinc/03/11/74/1074031174.db2.gz SVKSEARPLIOXOD-UHFFFAOYSA-N 1 2 436.531 -0.219 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001311896689 1074031432 /nfs/dbraw/zinc/03/14/32/1074031432.db2.gz FRIZUYFGMXLQRQ-UHFFFAOYSA-N 1 2 428.584 -0.275 20 0 IBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001312070311 1074033410 /nfs/dbraw/zinc/03/34/10/1074033410.db2.gz WBPKHZAEZNBXCJ-HNNXBMFYSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001312070322 1074033340 /nfs/dbraw/zinc/03/33/40/1074033340.db2.gz WBPKHZAEZNBXCJ-OAHLLOKOSA-N 1 2 428.559 -0.017 20 0 IBADLO CCOC1CC(CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)([NH+]2CCOCC2)C1 ZINC001312617800 1074036066 /nfs/dbraw/zinc/03/60/66/1074036066.db2.gz GHSISQOFNPSZIL-UHFFFAOYSA-N 1 2 433.575 -0.516 20 0 IBADLO O=C(NCCS(=O)(=O)C1CCOCC1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001312727117 1074036395 /nfs/dbraw/zinc/03/63/95/1074036395.db2.gz MKQDMSRMWBZHOA-KRWDZBQOSA-N 1 2 432.587 -0.324 20 0 IBADLO O=C(NCCS(=O)(=O)C1CCOCC1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001312727118 1074036508 /nfs/dbraw/zinc/03/65/08/1074036508.db2.gz MKQDMSRMWBZHOA-QGZVFWFLSA-N 1 2 432.587 -0.324 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2)c1 ZINC001312737691 1074036378 /nfs/dbraw/zinc/03/63/78/1074036378.db2.gz QLPPJZCFDHOZPU-UHFFFAOYSA-N 1 2 429.543 -0.203 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001313072098 1074038891 /nfs/dbraw/zinc/03/88/91/1074038891.db2.gz OQKUZGUNZWYEKS-GOSISDBHSA-N 1 2 430.502 -0.112 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001313072098 1074038883 /nfs/dbraw/zinc/03/88/83/1074038883.db2.gz OQKUZGUNZWYEKS-GOSISDBHSA-N 1 2 430.502 -0.112 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001313072099 1074039022 /nfs/dbraw/zinc/03/90/22/1074039022.db2.gz OQKUZGUNZWYEKS-SFHVURJKSA-N 1 2 430.502 -0.112 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001313072099 1074039013 /nfs/dbraw/zinc/03/90/13/1074039013.db2.gz OQKUZGUNZWYEKS-SFHVURJKSA-N 1 2 430.502 -0.112 20 0 IBADLO COc1cc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC001313117934 1074039439 /nfs/dbraw/zinc/03/94/39/1074039439.db2.gz UYWRTPIXYZHRTO-UHFFFAOYSA-N 1 2 426.543 -0.548 20 0 IBADLO CNS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001313126198 1074039491 /nfs/dbraw/zinc/03/94/91/1074039491.db2.gz WEMNKRKKQUWNCH-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO CNS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001313126198 1074039483 /nfs/dbraw/zinc/03/94/83/1074039483.db2.gz WEMNKRKKQUWNCH-UHFFFAOYSA-N 1 2 427.531 -0.916 20 0 IBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001313163049 1074039812 /nfs/dbraw/zinc/03/98/12/1074039812.db2.gz MATQXJGFLPXDSA-UHFFFAOYSA-N 1 2 433.575 -0.074 20 0 IBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001313204611 1074040582 /nfs/dbraw/zinc/04/05/82/1074040582.db2.gz BONSAILTTGQUQC-HNNXBMFYSA-N 1 2 439.604 -0.860 20 0 IBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001313204612 1074040753 /nfs/dbraw/zinc/04/07/53/1074040753.db2.gz BONSAILTTGQUQC-OAHLLOKOSA-N 1 2 439.604 -0.860 20 0 IBADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCS2(=O)=O ZINC001313389969 1074042922 /nfs/dbraw/zinc/04/29/22/1074042922.db2.gz GLXKMVXOUXWFJF-HVEKOLDVSA-N 1 2 446.570 -0.453 20 0 IBADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCS2(=O)=O ZINC001313389970 1074043095 /nfs/dbraw/zinc/04/30/95/1074043095.db2.gz GLXKMVXOUXWFJF-XAUUPUKJSA-N 1 2 446.570 -0.453 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001313424379 1074043706 /nfs/dbraw/zinc/04/37/06/1074043706.db2.gz JCIDFLGWWNNYQI-BBRMVZONSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001313424379 1074043699 /nfs/dbraw/zinc/04/36/99/1074043699.db2.gz JCIDFLGWWNNYQI-BBRMVZONSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001313424389 1074043978 /nfs/dbraw/zinc/04/39/78/1074043978.db2.gz JCIDFLGWWNNYQI-CJNGLKHVSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001313424389 1074043970 /nfs/dbraw/zinc/04/39/70/1074043970.db2.gz JCIDFLGWWNNYQI-CJNGLKHVSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001313424394 1074043902 /nfs/dbraw/zinc/04/39/02/1074043902.db2.gz JCIDFLGWWNNYQI-CZUORRHYSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001313424394 1074043895 /nfs/dbraw/zinc/04/38/95/1074043895.db2.gz JCIDFLGWWNNYQI-CZUORRHYSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001313424396 1074043769 /nfs/dbraw/zinc/04/37/69/1074043769.db2.gz JCIDFLGWWNNYQI-XJKSGUPXSA-N 1 2 428.559 -0.058 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001313424396 1074043762 /nfs/dbraw/zinc/04/37/62/1074043762.db2.gz JCIDFLGWWNNYQI-XJKSGUPXSA-N 1 2 428.559 -0.058 20 0 IBADLO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001313429033 1074043786 /nfs/dbraw/zinc/04/37/86/1074043786.db2.gz RSMADOWJMGPRMF-JKSUJKDBSA-N 1 2 431.559 -0.462 20 0 IBADLO Cc1noc([C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)n1 ZINC001313436431 1074043936 /nfs/dbraw/zinc/04/39/36/1074043936.db2.gz GYBILKXEAHIBON-HNNXBMFYSA-N 1 2 429.547 -0.105 20 0 IBADLO Cc1noc([C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)n1 ZINC001313436434 1074043809 /nfs/dbraw/zinc/04/38/09/1074043809.db2.gz GYBILKXEAHIBON-OAHLLOKOSA-N 1 2 429.547 -0.105 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001313870840 1074051005 /nfs/dbraw/zinc/05/10/05/1074051005.db2.gz RKYWMVBHUQGXJX-ILXRZTDVSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001313870840 1074050998 /nfs/dbraw/zinc/05/09/98/1074050998.db2.gz RKYWMVBHUQGXJX-ILXRZTDVSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001313870844 1074051098 /nfs/dbraw/zinc/05/10/98/1074051098.db2.gz RKYWMVBHUQGXJX-KKUMJFAQSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001313870844 1074051094 /nfs/dbraw/zinc/05/10/94/1074051094.db2.gz RKYWMVBHUQGXJX-KKUMJFAQSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001313870846 1074050954 /nfs/dbraw/zinc/05/09/54/1074050954.db2.gz RKYWMVBHUQGXJX-QLFBSQMISA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001313870846 1074050947 /nfs/dbraw/zinc/05/09/47/1074050947.db2.gz RKYWMVBHUQGXJX-QLFBSQMISA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001313870849 1074051126 /nfs/dbraw/zinc/05/11/26/1074051126.db2.gz RKYWMVBHUQGXJX-SOUVJXGZSA-N 1 2 448.615 -0.352 20 0 IBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001313870849 1074051120 /nfs/dbraw/zinc/05/11/20/1074051120.db2.gz RKYWMVBHUQGXJX-SOUVJXGZSA-N 1 2 448.615 -0.352 20 0 IBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ncn(C)n3)C2)CC1 ZINC001313944150 1074053240 /nfs/dbraw/zinc/05/32/40/1074053240.db2.gz XVXYRTICGMZAAG-INIZCTEOSA-N 1 2 430.561 -0.191 20 0 IBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ncn(C)n3)C2)CC1 ZINC001313944158 1074053374 /nfs/dbraw/zinc/05/33/74/1074053374.db2.gz XVXYRTICGMZAAG-MRXNPFEDSA-N 1 2 430.561 -0.191 20 0 IBADLO CCOCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001314358949 1074061808 /nfs/dbraw/zinc/06/18/08/1074061808.db2.gz PXRSNFDCSIXUJG-UHFFFAOYSA-N 1 2 444.540 -0.365 20 0 IBADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314394968 1074062508 /nfs/dbraw/zinc/06/25/08/1074062508.db2.gz CCXCEKCHCNAOGU-UHFFFAOYSA-N 1 2 443.618 -0.078 20 0 IBADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314394968 1074062499 /nfs/dbraw/zinc/06/24/99/1074062499.db2.gz CCXCEKCHCNAOGU-UHFFFAOYSA-N 1 2 443.618 -0.078 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314397346 1074062955 /nfs/dbraw/zinc/06/29/55/1074062955.db2.gz LTDCRIZNBZFKOB-KRWDZBQOSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314397347 1074062987 /nfs/dbraw/zinc/06/29/87/1074062987.db2.gz LTDCRIZNBZFKOB-QGZVFWFLSA-N 1 2 435.573 -0.064 20 0 IBADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314397408 1074063004 /nfs/dbraw/zinc/06/30/04/1074063004.db2.gz BDSBNJLXIDMXMN-UHFFFAOYSA-N 1 2 428.559 -0.239 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001314399505 1074063059 /nfs/dbraw/zinc/06/30/59/1074063059.db2.gz WIOWZYRMWMSWAB-APWZRJJASA-N 1 2 443.570 -0.477 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001314399512 1074062941 /nfs/dbraw/zinc/06/29/41/1074062941.db2.gz WIOWZYRMWMSWAB-LPHOPBHVSA-N 1 2 443.570 -0.477 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001314399514 1074062917 /nfs/dbraw/zinc/06/29/17/1074062917.db2.gz WIOWZYRMWMSWAB-QFBILLFUSA-N 1 2 443.570 -0.477 20 0 IBADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001314399524 1074062936 /nfs/dbraw/zinc/06/29/36/1074062936.db2.gz WIOWZYRMWMSWAB-VQIMIIECSA-N 1 2 443.570 -0.477 20 0 IBADLO CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001314412374 1074063630 /nfs/dbraw/zinc/06/36/30/1074063630.db2.gz FTDYTMSLFORGPR-SJORKVTESA-N 1 2 435.529 -0.087 20 0 IBADLO CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314527548 1074064768 /nfs/dbraw/zinc/06/47/68/1074064768.db2.gz VYWXBMNVWNFDBR-AWEZNQCLSA-N 1 2 436.604 -0.147 20 0 IBADLO CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314527549 1074065148 /nfs/dbraw/zinc/06/51/48/1074065148.db2.gz VYWXBMNVWNFDBR-CQSZACIVSA-N 1 2 436.604 -0.147 20 0 IBADLO CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314528895 1074065087 /nfs/dbraw/zinc/06/50/87/1074065087.db2.gz OXPVANQLSCCTSM-AWEZNQCLSA-N 1 2 448.615 -0.003 20 0 IBADLO CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314528896 1074065115 /nfs/dbraw/zinc/06/51/15/1074065115.db2.gz OXPVANQLSCCTSM-CQSZACIVSA-N 1 2 448.615 -0.003 20 0 IBADLO CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314536495 1074065821 /nfs/dbraw/zinc/06/58/21/1074065821.db2.gz VXKWUSOVIISFLA-INIZCTEOSA-N 1 2 440.570 -0.035 20 0 IBADLO CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314536497 1074065742 /nfs/dbraw/zinc/06/57/42/1074065742.db2.gz VXKWUSOVIISFLA-MRXNPFEDSA-N 1 2 440.570 -0.035 20 0 IBADLO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314641734 1074070151 /nfs/dbraw/zinc/07/01/51/1074070151.db2.gz APNDMQNXBCTHCE-HNNXBMFYSA-N 1 2 440.570 -0.431 20 0 IBADLO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314641735 1074070570 /nfs/dbraw/zinc/07/05/70/1074070570.db2.gz APNDMQNXBCTHCE-OAHLLOKOSA-N 1 2 440.570 -0.431 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccn[nH]1 ZINC001314870014 1074076396 /nfs/dbraw/zinc/07/63/96/1074076396.db2.gz MHFVTKTUQFMTFD-UHFFFAOYSA-N 1 2 445.528 -0.564 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O ZINC001314870143 1074076267 /nfs/dbraw/zinc/07/62/67/1074076267.db2.gz BWRWGBCFENVRQX-UHFFFAOYSA-N 1 2 426.547 -0.614 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001314870368 1074076406 /nfs/dbraw/zinc/07/64/06/1074076406.db2.gz CXAPADYYPJUHQE-HNNXBMFYSA-N 1 2 431.501 -0.565 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 ZINC001314871001 1074076232 /nfs/dbraw/zinc/07/62/32/1074076232.db2.gz JSOUGFFPWAFFIS-UHFFFAOYSA-N 1 2 430.513 -0.248 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314875251 1074076689 /nfs/dbraw/zinc/07/66/89/1074076689.db2.gz MVRJLBMHRJKZAK-HNNXBMFYSA-N 1 2 428.559 -0.368 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314875252 1074076593 /nfs/dbraw/zinc/07/65/93/1074076593.db2.gz MVRJLBMHRJKZAK-OAHLLOKOSA-N 1 2 428.559 -0.368 20 0 IBADLO Cn1cc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCOCCCO)cn1 ZINC001314904626 1074077815 /nfs/dbraw/zinc/07/78/15/1074077815.db2.gz RWANBSDQBJTQJY-UHFFFAOYSA-N 1 2 446.556 -0.178 20 0 IBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314995339 1074084289 /nfs/dbraw/zinc/08/42/89/1074084289.db2.gz ZJYVHSZHOKPBOB-MSOLQXFVSA-N 1 2 433.557 -0.092 20 0 IBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314995341 1074084246 /nfs/dbraw/zinc/08/42/46/1074084246.db2.gz ZJYVHSZHOKPBOB-QZTJIDSGSA-N 1 2 433.557 -0.092 20 0 IBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314995463 1074084324 /nfs/dbraw/zinc/08/43/24/1074084324.db2.gz ZJYVHSZHOKPBOB-ROUUACIJSA-N 1 2 433.557 -0.092 20 0 IBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314995467 1074084263 /nfs/dbraw/zinc/08/42/63/1074084263.db2.gz ZJYVHSZHOKPBOB-ZWKOTPCHSA-N 1 2 433.557 -0.092 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001315011650 1074086699 /nfs/dbraw/zinc/08/66/99/1074086699.db2.gz WBJSGCSCSAMRBL-HNNXBMFYSA-N 1 2 430.513 -0.123 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001315011652 1074086869 /nfs/dbraw/zinc/08/68/69/1074086869.db2.gz WBJSGCSCSAMRBL-OAHLLOKOSA-N 1 2 430.513 -0.123 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315012019 1074086885 /nfs/dbraw/zinc/08/68/85/1074086885.db2.gz DIQLICUXVJYWOJ-GOSISDBHSA-N 1 2 445.524 -0.038 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315012020 1074086832 /nfs/dbraw/zinc/08/68/32/1074086832.db2.gz DIQLICUXVJYWOJ-SFHVURJKSA-N 1 2 445.524 -0.038 20 0 IBADLO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315032032 1074088956 /nfs/dbraw/zinc/08/89/56/1074088956.db2.gz HKBJMXMVICNXNS-CYBMUJFWSA-N 1 2 438.558 -0.030 20 0 IBADLO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315032033 1074088917 /nfs/dbraw/zinc/08/89/17/1074088917.db2.gz HKBJMXMVICNXNS-ZDUSSCGKSA-N 1 2 438.558 -0.030 20 0 IBADLO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001315046529 1074090371 /nfs/dbraw/zinc/09/03/71/1074090371.db2.gz CUYSKOPCOLPPDU-CVEARBPZSA-N 1 2 446.556 -0.502 20 0 IBADLO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001315046530 1074090422 /nfs/dbraw/zinc/09/04/22/1074090422.db2.gz CUYSKOPCOLPPDU-HOTGVXAUSA-N 1 2 446.556 -0.502 20 0 IBADLO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001315046531 1074090500 /nfs/dbraw/zinc/09/05/00/1074090500.db2.gz CUYSKOPCOLPPDU-HZPDHXFCSA-N 1 2 446.556 -0.502 20 0 IBADLO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001315046532 1074090391 /nfs/dbraw/zinc/09/03/91/1074090391.db2.gz CUYSKOPCOLPPDU-JKSUJKDBSA-N 1 2 446.556 -0.502 20 0 IBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001315069315 1074094365 /nfs/dbraw/zinc/09/43/65/1074094365.db2.gz VNGODXZEYOUWDG-CABCVRRESA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001315069315 1074094352 /nfs/dbraw/zinc/09/43/52/1074094352.db2.gz VNGODXZEYOUWDG-CABCVRRESA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001315069317 1074094247 /nfs/dbraw/zinc/09/42/47/1074094247.db2.gz VNGODXZEYOUWDG-GJZGRUSLSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001315069317 1074094237 /nfs/dbraw/zinc/09/42/37/1074094237.db2.gz VNGODXZEYOUWDG-GJZGRUSLSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001315069319 1074094281 /nfs/dbraw/zinc/09/42/81/1074094281.db2.gz VNGODXZEYOUWDG-HUUCEWRRSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001315069319 1074094271 /nfs/dbraw/zinc/09/42/71/1074094271.db2.gz VNGODXZEYOUWDG-HUUCEWRRSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001315069321 1074094399 /nfs/dbraw/zinc/09/43/99/1074094399.db2.gz VNGODXZEYOUWDG-LSDHHAIUSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001315069321 1074094388 /nfs/dbraw/zinc/09/43/88/1074094388.db2.gz VNGODXZEYOUWDG-LSDHHAIUSA-N 1 2 446.599 -0.596 20 0 IBADLO CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001315070371 1074094716 /nfs/dbraw/zinc/09/47/16/1074094716.db2.gz ONTQSBNVGMEGOQ-HNNXBMFYSA-N 1 2 439.586 -0.162 20 0 IBADLO CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001315070372 1074094881 /nfs/dbraw/zinc/09/48/81/1074094881.db2.gz ONTQSBNVGMEGOQ-OAHLLOKOSA-N 1 2 439.586 -0.162 20 0 IBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001315672925 1074100956 /nfs/dbraw/zinc/10/09/56/1074100956.db2.gz VDHGTONNGGQMIB-CYBMUJFWSA-N 1 2 441.535 -0.133 20 0 IBADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001315672935 1074101059 /nfs/dbraw/zinc/10/10/59/1074101059.db2.gz VDHGTONNGGQMIB-ZDUSSCGKSA-N 1 2 441.535 -0.133 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CC3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001315750271 1074103078 /nfs/dbraw/zinc/10/30/78/1074103078.db2.gz HHFSMINLUQMGKK-UHFFFAOYSA-N 1 2 433.557 -0.310 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001315751245 1074103057 /nfs/dbraw/zinc/10/30/57/1074103057.db2.gz CMETXTCQXDOESO-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001315751245 1074103055 /nfs/dbraw/zinc/10/30/55/1074103055.db2.gz CMETXTCQXDOESO-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001315751249 1074103075 /nfs/dbraw/zinc/10/30/75/1074103075.db2.gz CMETXTCQXDOESO-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001315751249 1074103072 /nfs/dbraw/zinc/10/30/72/1074103072.db2.gz CMETXTCQXDOESO-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001315756762 1074104033 /nfs/dbraw/zinc/10/40/33/1074104033.db2.gz OKSJVAXQWVUOIQ-DOTOQJQBSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001315756762 1074104029 /nfs/dbraw/zinc/10/40/29/1074104029.db2.gz OKSJVAXQWVUOIQ-DOTOQJQBSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001315756763 1074103961 /nfs/dbraw/zinc/10/39/61/1074103961.db2.gz OKSJVAXQWVUOIQ-NVXWUHKLSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001315756763 1074103958 /nfs/dbraw/zinc/10/39/58/1074103958.db2.gz OKSJVAXQWVUOIQ-NVXWUHKLSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001315756764 1074103978 /nfs/dbraw/zinc/10/39/78/1074103978.db2.gz OKSJVAXQWVUOIQ-RDJZCZTQSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001315756764 1074103976 /nfs/dbraw/zinc/10/39/76/1074103976.db2.gz OKSJVAXQWVUOIQ-RDJZCZTQSA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001315756765 1074103940 /nfs/dbraw/zinc/10/39/40/1074103940.db2.gz OKSJVAXQWVUOIQ-WBVHZDCISA-N 1 2 449.556 -0.319 20 0 IBADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001315756765 1074103938 /nfs/dbraw/zinc/10/39/38/1074103938.db2.gz OKSJVAXQWVUOIQ-WBVHZDCISA-N 1 2 449.556 -0.319 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315941121 1074108005 /nfs/dbraw/zinc/10/80/05/1074108005.db2.gz XVUNFLZWKMGBDW-DLBZAZTESA-N 1 2 435.529 -0.755 20 0 IBADLO COC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315941122 1074108053 /nfs/dbraw/zinc/10/80/53/1074108053.db2.gz XVUNFLZWKMGBDW-IAGOWNOFSA-N 1 2 435.529 -0.755 20 0 IBADLO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315941123 1074108447 /nfs/dbraw/zinc/10/84/47/1074108447.db2.gz XVUNFLZWKMGBDW-IRXDYDNUSA-N 1 2 435.529 -0.755 20 0 IBADLO COC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001315941124 1074108484 /nfs/dbraw/zinc/10/84/84/1074108484.db2.gz XVUNFLZWKMGBDW-SJORKVTESA-N 1 2 435.529 -0.755 20 0 IBADLO COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001316112915 1074115681 /nfs/dbraw/zinc/11/56/81/1074115681.db2.gz CPFHZEAJSNPYQQ-KRWDZBQOSA-N 1 2 432.529 -0.111 20 0 IBADLO COCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001316112917 1074115737 /nfs/dbraw/zinc/11/57/37/1074115737.db2.gz CPFHZEAJSNPYQQ-QGZVFWFLSA-N 1 2 432.529 -0.111 20 0 IBADLO COCCN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001316138187 1074120494 /nfs/dbraw/zinc/12/04/94/1074120494.db2.gz APRVHBQMZXYLKQ-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO COCCN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001316138187 1074120493 /nfs/dbraw/zinc/12/04/93/1074120493.db2.gz APRVHBQMZXYLKQ-KRWDZBQOSA-N 1 2 449.556 -0.584 20 0 IBADLO COCCN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001316138188 1074120586 /nfs/dbraw/zinc/12/05/86/1074120586.db2.gz APRVHBQMZXYLKQ-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO COCCN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001316138188 1074120580 /nfs/dbraw/zinc/12/05/80/1074120580.db2.gz APRVHBQMZXYLKQ-QGZVFWFLSA-N 1 2 449.556 -0.584 20 0 IBADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316169445 1074122086 /nfs/dbraw/zinc/12/20/86/1074122086.db2.gz GZTCKDYCOGSICJ-DOTOQJQBSA-N 1 2 437.545 -0.522 20 0 IBADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316169449 1074121946 /nfs/dbraw/zinc/12/19/46/1074121946.db2.gz GZTCKDYCOGSICJ-NVXWUHKLSA-N 1 2 437.545 -0.522 20 0 IBADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316169451 1074122015 /nfs/dbraw/zinc/12/20/15/1074122015.db2.gz GZTCKDYCOGSICJ-RDJZCZTQSA-N 1 2 437.545 -0.522 20 0 IBADLO COCCO[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316169453 1074122062 /nfs/dbraw/zinc/12/20/62/1074122062.db2.gz GZTCKDYCOGSICJ-WBVHZDCISA-N 1 2 437.545 -0.522 20 0 IBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316298100 1074125629 /nfs/dbraw/zinc/12/56/29/1074125629.db2.gz SOXGABUYHFEODR-HKUYNNGSSA-N 1 2 449.556 -0.508 20 0 IBADLO CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316347273 1074128954 /nfs/dbraw/zinc/12/89/54/1074128954.db2.gz LKRCJSOKIHTBKX-CVEARBPZSA-N 1 2 440.570 -0.178 20 0 IBADLO CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316347280 1074128877 /nfs/dbraw/zinc/12/88/77/1074128877.db2.gz LKRCJSOKIHTBKX-HOTGVXAUSA-N 1 2 440.570 -0.178 20 0 IBADLO CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316347282 1074128969 /nfs/dbraw/zinc/12/89/69/1074128969.db2.gz LKRCJSOKIHTBKX-HZPDHXFCSA-N 1 2 440.570 -0.178 20 0 IBADLO CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316347284 1074128864 /nfs/dbraw/zinc/12/88/64/1074128864.db2.gz LKRCJSOKIHTBKX-JKSUJKDBSA-N 1 2 440.570 -0.178 20 0 IBADLO CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316362957 1074134514 /nfs/dbraw/zinc/13/45/14/1074134514.db2.gz OWCBFGNELUJGII-AWEZNQCLSA-N 1 2 434.526 -0.500 20 0 IBADLO CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316362962 1074134404 /nfs/dbraw/zinc/13/44/04/1074134404.db2.gz OWCBFGNELUJGII-CQSZACIVSA-N 1 2 434.526 -0.500 20 0 IBADLO CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316364383 1074134424 /nfs/dbraw/zinc/13/44/24/1074134424.db2.gz YCKBIGCABQVRAG-CABCVRRESA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316364383 1074134421 /nfs/dbraw/zinc/13/44/21/1074134421.db2.gz YCKBIGCABQVRAG-CABCVRRESA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316364384 1074134437 /nfs/dbraw/zinc/13/44/37/1074134437.db2.gz YCKBIGCABQVRAG-GJZGRUSLSA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316364384 1074134433 /nfs/dbraw/zinc/13/44/33/1074134433.db2.gz YCKBIGCABQVRAG-GJZGRUSLSA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316364385 1074134501 /nfs/dbraw/zinc/13/45/01/1074134501.db2.gz YCKBIGCABQVRAG-HUUCEWRRSA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316364385 1074134496 /nfs/dbraw/zinc/13/44/96/1074134496.db2.gz YCKBIGCABQVRAG-HUUCEWRRSA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316364386 1074134456 /nfs/dbraw/zinc/13/44/56/1074134456.db2.gz YCKBIGCABQVRAG-LSDHHAIUSA-N 1 2 446.599 -0.596 20 0 IBADLO CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316364386 1074134452 /nfs/dbraw/zinc/13/44/52/1074134452.db2.gz YCKBIGCABQVRAG-LSDHHAIUSA-N 1 2 446.599 -0.596 20 0 IBADLO O=S1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001316578609 1074140139 /nfs/dbraw/zinc/14/01/39/1074140139.db2.gz FMBLQTOFAUYZDH-HNNXBMFYSA-N 1 2 445.611 -0.404 20 0 IBADLO O=S1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001316578610 1074140174 /nfs/dbraw/zinc/14/01/74/1074140174.db2.gz FMBLQTOFAUYZDH-OAHLLOKOSA-N 1 2 445.611 -0.404 20 0 IBADLO CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC001317761910 1074142848 /nfs/dbraw/zinc/14/28/48/1074142848.db2.gz KIYIBBGTGFXKRU-INIZCTEOSA-N 1 2 438.506 -0.188 20 0 IBADLO CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC001317761912 1074142812 /nfs/dbraw/zinc/14/28/12/1074142812.db2.gz KIYIBBGTGFXKRU-MRXNPFEDSA-N 1 2 438.506 -0.188 20 0 IBADLO O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001317957865 1074149611 /nfs/dbraw/zinc/14/96/11/1074149611.db2.gz BHKDDZGDGVJAKX-HNNXBMFYSA-N 1 2 428.536 -0.402 20 0 IBADLO O=C(C[C@H]1C=CS(=O)(=O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001317957866 1074149682 /nfs/dbraw/zinc/14/96/82/1074149682.db2.gz BHKDDZGDGVJAKX-OAHLLOKOSA-N 1 2 428.536 -0.402 20 0 IBADLO O=C(CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001317971473 1074150815 /nfs/dbraw/zinc/15/08/15/1074150815.db2.gz WNPZIFNJTWDKNG-PBHICJAKSA-N 1 2 434.584 -0.813 20 0 IBADLO O=C(CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001317971474 1074150770 /nfs/dbraw/zinc/15/07/70/1074150770.db2.gz WNPZIFNJTWDKNG-RHSMWYFYSA-N 1 2 434.584 -0.813 20 0 IBADLO O=C(CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCS(=O)(=O)C1 ZINC001317971475 1074150751 /nfs/dbraw/zinc/15/07/51/1074150751.db2.gz WNPZIFNJTWDKNG-WMLDXEAASA-N 1 2 434.584 -0.813 20 0 IBADLO O=C(CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCS(=O)(=O)C1 ZINC001317971476 1074150763 /nfs/dbraw/zinc/15/07/63/1074150763.db2.gz WNPZIFNJTWDKNG-YOEHRIQHSA-N 1 2 434.584 -0.813 20 0 IBADLO O=C(CCNS(=O)(=O)C1CCS(=O)(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001318285258 1074158291 /nfs/dbraw/zinc/15/82/91/1074158291.db2.gz AHKGTLYPCSLBEO-UHFFFAOYSA-N 1 2 430.552 -0.383 20 0 IBADLO O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001318293407 1074158729 /nfs/dbraw/zinc/15/87/29/1074158729.db2.gz LJNCZKPURWCFID-UHFFFAOYSA-N 1 2 440.547 -0.109 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)cn1C ZINC001318301235 1074159278 /nfs/dbraw/zinc/15/92/78/1074159278.db2.gz DKQDCDKMPZXXIJ-HNNXBMFYSA-N 1 2 426.587 -0.119 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)cn1C ZINC001318301249 1074159190 /nfs/dbraw/zinc/15/91/90/1074159190.db2.gz DKQDCDKMPZXXIJ-OAHLLOKOSA-N 1 2 426.587 -0.119 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC001318315895 1074159859 /nfs/dbraw/zinc/15/98/59/1074159859.db2.gz DEAQJJZFIUVPAW-UHFFFAOYSA-N 1 2 428.453 -0.887 20 0 IBADLO Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)no1 ZINC001318342140 1074161374 /nfs/dbraw/zinc/16/13/74/1074161374.db2.gz IRYNWASHHFQINT-INIZCTEOSA-N 1 2 433.509 -0.115 20 0 IBADLO Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)no1 ZINC001318342141 1074161317 /nfs/dbraw/zinc/16/13/17/1074161317.db2.gz IRYNWASHHFQINT-MRXNPFEDSA-N 1 2 433.509 -0.115 20 0 IBADLO Cc1nc(S(=O)(=O)NCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1C ZINC001318358816 1074162409 /nfs/dbraw/zinc/16/24/09/1074162409.db2.gz KBBABCSOMJBODT-UHFFFAOYSA-N 1 2 435.572 -0.978 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC001318359203 1074162376 /nfs/dbraw/zinc/16/23/76/1074162376.db2.gz OJSBFHXRJZEIFH-UHFFFAOYSA-N 1 2 437.316 -0.663 20 0 IBADLO CN(CCc1ccccn1)C(=O)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318360800 1074162327 /nfs/dbraw/zinc/16/23/27/1074162327.db2.gz AHKOEHIQPGICIL-UHFFFAOYSA-N 1 2 425.555 -0.109 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC001318382735 1074162928 /nfs/dbraw/zinc/16/29/28/1074162928.db2.gz KMVYPMVUFIKMNP-UHFFFAOYSA-N 1 2 449.551 -0.461 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC001318383521 1074162956 /nfs/dbraw/zinc/16/29/56/1074162956.db2.gz UOXUSPUULCVEMH-UHFFFAOYSA-N 1 2 430.478 -0.047 20 0 IBADLO CNS(=O)(=O)c1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001318385122 1074163107 /nfs/dbraw/zinc/16/31/07/1074163107.db2.gz USCBOAXJPQBFSZ-UHFFFAOYSA-N 1 2 432.568 -0.097 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001318447466 1074165099 /nfs/dbraw/zinc/16/50/99/1074165099.db2.gz VMCLTORCKHYFAR-CEKAGXKUSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001318447466 1074165097 /nfs/dbraw/zinc/16/50/97/1074165097.db2.gz VMCLTORCKHYFAR-CEKAGXKUSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001318447467 1074165042 /nfs/dbraw/zinc/16/50/42/1074165042.db2.gz VMCLTORCKHYFAR-IHNWGIHHSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001318447467 1074165039 /nfs/dbraw/zinc/16/50/39/1074165039.db2.gz VMCLTORCKHYFAR-IHNWGIHHSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001318447468 1074165010 /nfs/dbraw/zinc/16/50/10/1074165010.db2.gz VMCLTORCKHYFAR-INHTXZAOSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001318447468 1074165004 /nfs/dbraw/zinc/16/50/04/1074165004.db2.gz VMCLTORCKHYFAR-INHTXZAOSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001318447469 1074165123 /nfs/dbraw/zinc/16/51/23/1074165123.db2.gz VMCLTORCKHYFAR-ISRKCNITSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001318447469 1074165118 /nfs/dbraw/zinc/16/51/18/1074165118.db2.gz VMCLTORCKHYFAR-ISRKCNITSA-N 1 2 427.505 -0.144 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC001318459727 1074165613 /nfs/dbraw/zinc/16/56/13/1074165613.db2.gz HTMMBHCPOFMNPJ-SECBINFHSA-N 1 2 439.357 -0.145 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC001318459727 1074165603 /nfs/dbraw/zinc/16/56/03/1074165603.db2.gz HTMMBHCPOFMNPJ-SECBINFHSA-N 1 2 439.357 -0.145 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC001318459729 1074165550 /nfs/dbraw/zinc/16/55/50/1074165550.db2.gz HTMMBHCPOFMNPJ-VIFPVBQESA-N 1 2 439.357 -0.145 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC001318459729 1074165538 /nfs/dbraw/zinc/16/55/38/1074165538.db2.gz HTMMBHCPOFMNPJ-VIFPVBQESA-N 1 2 439.357 -0.145 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC001318459988 1074165757 /nfs/dbraw/zinc/16/57/57/1074165757.db2.gz CJXATYDTVBFZQW-HNNXBMFYSA-N 1 2 433.534 -0.087 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC001318459988 1074165751 /nfs/dbraw/zinc/16/57/51/1074165751.db2.gz CJXATYDTVBFZQW-HNNXBMFYSA-N 1 2 433.534 -0.087 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC001318459989 1074165691 /nfs/dbraw/zinc/16/56/91/1074165691.db2.gz CJXATYDTVBFZQW-OAHLLOKOSA-N 1 2 433.534 -0.087 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC001318459989 1074165685 /nfs/dbraw/zinc/16/56/85/1074165685.db2.gz CJXATYDTVBFZQW-OAHLLOKOSA-N 1 2 433.534 -0.087 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001318468000 1074165997 /nfs/dbraw/zinc/16/59/97/1074165997.db2.gz QRTWMQBCDBIFSB-CYBMUJFWSA-N 1 2 430.469 -0.654 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC001318468002 1074166154 /nfs/dbraw/zinc/16/61/54/1074166154.db2.gz QRTWMQBCDBIFSB-ZDUSSCGKSA-N 1 2 430.469 -0.654 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318479298 1074166128 /nfs/dbraw/zinc/16/61/28/1074166128.db2.gz SRQWDSLNGIOQOJ-KBPBESRZSA-N 1 2 447.521 -0.953 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318479299 1074166076 /nfs/dbraw/zinc/16/60/76/1074166076.db2.gz SRQWDSLNGIOQOJ-KGLIPLIRSA-N 1 2 447.521 -0.953 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318479300 1074166698 /nfs/dbraw/zinc/16/66/98/1074166698.db2.gz SRQWDSLNGIOQOJ-UONOGXRCSA-N 1 2 447.521 -0.953 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318479301 1074166714 /nfs/dbraw/zinc/16/67/14/1074166714.db2.gz SRQWDSLNGIOQOJ-ZIAGYGMSSA-N 1 2 447.521 -0.953 20 0 IBADLO CN(CCNS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001318482780 1074166779 /nfs/dbraw/zinc/16/67/79/1074166779.db2.gz HTNSCCPCGKRSNG-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(CCNS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001318482780 1074166775 /nfs/dbraw/zinc/16/67/75/1074166775.db2.gz HTNSCCPCGKRSNG-HNNXBMFYSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(CCNS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001318482781 1074166691 /nfs/dbraw/zinc/16/66/91/1074166691.db2.gz HTNSCCPCGKRSNG-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO CN(CCNS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001318482781 1074166686 /nfs/dbraw/zinc/16/66/86/1074166686.db2.gz HTNSCCPCGKRSNG-OAHLLOKOSA-N 1 2 441.558 -0.527 20 0 IBADLO CN1CC[NH+](C(C)(C)CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001318501248 1074167268 /nfs/dbraw/zinc/16/72/68/1074167268.db2.gz WQLCQYNFMVWZBG-UHFFFAOYSA-N 1 2 439.582 -0.074 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001318502662 1074167283 /nfs/dbraw/zinc/16/72/83/1074167283.db2.gz LAEIZTSJTYRLPR-UHFFFAOYSA-N 1 2 427.527 -0.288 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001318502662 1074167280 /nfs/dbraw/zinc/16/72/80/1074167280.db2.gz LAEIZTSJTYRLPR-UHFFFAOYSA-N 1 2 427.527 -0.288 20 0 IBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001318531960 1074168243 /nfs/dbraw/zinc/16/82/43/1074168243.db2.gz VVXCGADWHNEMPK-UHFFFAOYSA-N 1 2 448.524 -0.029 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001318536238 1074168296 /nfs/dbraw/zinc/16/82/96/1074168296.db2.gz PLRDYAQIYALWTA-CYBMUJFWSA-N 1 2 434.478 -0.497 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001318536240 1074168229 /nfs/dbraw/zinc/16/82/29/1074168229.db2.gz PLRDYAQIYALWTA-ZDUSSCGKSA-N 1 2 434.478 -0.497 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001318565242 1074169276 /nfs/dbraw/zinc/16/92/76/1074169276.db2.gz UBWZRSWKNKDBKL-UHFFFAOYSA-N 1 2 427.571 -0.198 20 0 IBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cn2nc(N3CCOCC3)n(C)c2=S)CC1 ZINC001318638538 1074171542 /nfs/dbraw/zinc/17/15/42/1074171542.db2.gz ILPIUUZCDLVZJX-INIZCTEOSA-N 1 2 441.602 -0.096 20 0 IBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cn2nc(N3CCOCC3)n(C)c2=S)CC1 ZINC001318638539 1074171512 /nfs/dbraw/zinc/17/15/12/1074171512.db2.gz ILPIUUZCDLVZJX-MRXNPFEDSA-N 1 2 441.602 -0.096 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001318640346 1074171556 /nfs/dbraw/zinc/17/15/56/1074171556.db2.gz DRJHBDCSMBJRHW-BRSBDYLESA-N 1 2 428.599 -0.152 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001318640347 1074172008 /nfs/dbraw/zinc/17/20/08/1074172008.db2.gz DRJHBDCSMBJRHW-TVFCKZIOSA-N 1 2 428.599 -0.152 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001318640348 1074171973 /nfs/dbraw/zinc/17/19/73/1074171973.db2.gz DRJHBDCSMBJRHW-XDNAFOTISA-N 1 2 428.599 -0.152 20 0 IBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001318640350 1074171958 /nfs/dbraw/zinc/17/19/58/1074171958.db2.gz DRJHBDCSMBJRHW-XMTFNYHQSA-N 1 2 428.599 -0.152 20 0 IBADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC001318650489 1074172627 /nfs/dbraw/zinc/17/26/27/1074172627.db2.gz FZNXAJJBNWKHMS-UHFFFAOYSA-N 1 2 433.538 -0.082 20 0 IBADLO Cc1n[nH]c(=O)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001318656862 1074172655 /nfs/dbraw/zinc/17/26/55/1074172655.db2.gz HDMDVOTYFPPVQC-UHFFFAOYSA-N 1 2 427.531 -0.882 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1CCC2 ZINC001318660827 1074172683 /nfs/dbraw/zinc/17/26/83/1074172683.db2.gz ICYLJOAFJNXUFY-INIZCTEOSA-N 1 2 436.534 -0.514 20 0 IBADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1CCC2 ZINC001318660830 1074172615 /nfs/dbraw/zinc/17/26/15/1074172615.db2.gz ICYLJOAFJNXUFY-MRXNPFEDSA-N 1 2 436.534 -0.514 20 0 IBADLO COCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC001318709861 1074174254 /nfs/dbraw/zinc/17/42/54/1074174254.db2.gz KUKDCNAEGRCXDB-INIZCTEOSA-N 1 2 438.506 -0.560 20 0 IBADLO COCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC001318709862 1074174278 /nfs/dbraw/zinc/17/42/78/1074174278.db2.gz KUKDCNAEGRCXDB-MRXNPFEDSA-N 1 2 438.506 -0.560 20 0 IBADLO CNC(=O)c1nn(CN2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)c(=O)c2ccccc21 ZINC001318754529 1074175395 /nfs/dbraw/zinc/17/53/95/1074175395.db2.gz LJWQAGRWMGUJTM-INIZCTEOSA-N 1 2 444.536 -0.128 20 0 IBADLO CNC(=O)c1nn(CN2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)c(=O)c2ccccc21 ZINC001318754530 1074175458 /nfs/dbraw/zinc/17/54/58/1074175458.db2.gz LJWQAGRWMGUJTM-MRXNPFEDSA-N 1 2 444.536 -0.128 20 0 IBADLO O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001318754546 1074175430 /nfs/dbraw/zinc/17/54/30/1074175430.db2.gz LOUDBZGDQBOPCQ-UHFFFAOYSA-N 1 2 429.506 -0.062 20 0 IBADLO O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001318754546 1074175427 /nfs/dbraw/zinc/17/54/27/1074175427.db2.gz LOUDBZGDQBOPCQ-UHFFFAOYSA-N 1 2 429.506 -0.062 20 0 IBADLO COCCn1nc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC001318756311 1074175382 /nfs/dbraw/zinc/17/53/82/1074175382.db2.gz AGNWJJAWLHBYMK-INIZCTEOSA-N 1 2 443.508 -0.085 20 0 IBADLO COCCn1nc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC001318756311 1074175378 /nfs/dbraw/zinc/17/53/78/1074175378.db2.gz AGNWJJAWLHBYMK-INIZCTEOSA-N 1 2 443.508 -0.085 20 0 IBADLO COCCn1nc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC001318756312 1074175443 /nfs/dbraw/zinc/17/54/43/1074175443.db2.gz AGNWJJAWLHBYMK-MRXNPFEDSA-N 1 2 443.508 -0.085 20 0 IBADLO COCCn1nc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC001318756312 1074175441 /nfs/dbraw/zinc/17/54/41/1074175441.db2.gz AGNWJJAWLHBYMK-MRXNPFEDSA-N 1 2 443.508 -0.085 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001318768029 1074175829 /nfs/dbraw/zinc/17/58/29/1074175829.db2.gz SBXJLVUMGAJKHC-CAOSSQGBSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001318768029 1074175823 /nfs/dbraw/zinc/17/58/23/1074175823.db2.gz SBXJLVUMGAJKHC-CAOSSQGBSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318768037 1074175882 /nfs/dbraw/zinc/17/58/82/1074175882.db2.gz SBXJLVUMGAJKHC-JJXSEGSLSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318768037 1074175878 /nfs/dbraw/zinc/17/58/78/1074175878.db2.gz SBXJLVUMGAJKHC-JJXSEGSLSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001318768038 1074175692 /nfs/dbraw/zinc/17/56/92/1074175692.db2.gz SBXJLVUMGAJKHC-JONQDZQNSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001318768038 1074175687 /nfs/dbraw/zinc/17/56/87/1074175687.db2.gz SBXJLVUMGAJKHC-JONQDZQNSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318768039 1074175775 /nfs/dbraw/zinc/17/57/75/1074175775.db2.gz SBXJLVUMGAJKHC-ZJIFWQFVSA-N 1 2 428.555 -0.838 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318768039 1074175769 /nfs/dbraw/zinc/17/57/69/1074175769.db2.gz SBXJLVUMGAJKHC-ZJIFWQFVSA-N 1 2 428.555 -0.838 20 0 IBADLO COC(=O)CC[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCOCC1 ZINC001318920530 1074179119 /nfs/dbraw/zinc/17/91/19/1074179119.db2.gz MVKMKZUGUQBRJQ-KRWDZBQOSA-N 1 2 431.555 -0.638 20 0 IBADLO COC(=O)CC[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCOCC1 ZINC001318920530 1074179117 /nfs/dbraw/zinc/17/91/17/1074179117.db2.gz MVKMKZUGUQBRJQ-KRWDZBQOSA-N 1 2 431.555 -0.638 20 0 IBADLO COC(=O)CC[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCOCC1 ZINC001318920531 1074179100 /nfs/dbraw/zinc/17/91/00/1074179100.db2.gz MVKMKZUGUQBRJQ-QGZVFWFLSA-N 1 2 431.555 -0.638 20 0 IBADLO COC(=O)CC[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCOCC1 ZINC001318920531 1074179097 /nfs/dbraw/zinc/17/90/97/1074179097.db2.gz MVKMKZUGUQBRJQ-QGZVFWFLSA-N 1 2 431.555 -0.638 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001318935405 1074179726 /nfs/dbraw/zinc/17/97/26/1074179726.db2.gz KYEIKDSWDOQXTC-UHFFFAOYSA-N 1 2 437.526 -0.905 20 0 IBADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001318954028 1074180106 /nfs/dbraw/zinc/18/01/06/1074180106.db2.gz VIHIUJSYUFRKPP-GFCCVEGCSA-N 1 2 443.434 -0.151 20 0 IBADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001318954028 1074180101 /nfs/dbraw/zinc/18/01/01/1074180101.db2.gz VIHIUJSYUFRKPP-GFCCVEGCSA-N 1 2 443.434 -0.151 20 0 IBADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001318954030 1074180167 /nfs/dbraw/zinc/18/01/67/1074180167.db2.gz VIHIUJSYUFRKPP-LBPRGKRZSA-N 1 2 443.434 -0.151 20 0 IBADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001318954030 1074180162 /nfs/dbraw/zinc/18/01/62/1074180162.db2.gz VIHIUJSYUFRKPP-LBPRGKRZSA-N 1 2 443.434 -0.151 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001318977907 1074180556 /nfs/dbraw/zinc/18/05/56/1074180556.db2.gz QXOLBAYWXHTXBB-GOSISDBHSA-N 1 2 434.541 -0.382 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001318977908 1074180603 /nfs/dbraw/zinc/18/06/03/1074180603.db2.gz QXOLBAYWXHTXBB-SFHVURJKSA-N 1 2 434.541 -0.382 20 0 IBADLO O=C(CN1CC[NH+](C2CCOCC2)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001319035234 1074182073 /nfs/dbraw/zinc/18/20/73/1074182073.db2.gz GTCZCYZXIPESCS-MOPGFXCFSA-N 1 2 429.583 -0.022 20 0 IBADLO O=C(CN1CC[NH+](C2CCOCC2)CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001319035235 1074182026 /nfs/dbraw/zinc/18/20/26/1074182026.db2.gz GTCZCYZXIPESCS-OALUTQOASA-N 1 2 429.583 -0.022 20 0 IBADLO O=C(CN1CC[NH+](C2CCOCC2)CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001319035236 1074181983 /nfs/dbraw/zinc/18/19/83/1074181983.db2.gz GTCZCYZXIPESCS-RBUKOAKNSA-N 1 2 429.583 -0.022 20 0 IBADLO O=C(CN1CC[NH+](C2CCOCC2)CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001319035237 1074181943 /nfs/dbraw/zinc/18/19/43/1074181943.db2.gz GTCZCYZXIPESCS-RTBURBONSA-N 1 2 429.583 -0.022 20 0 IBADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC001319047641 1074181996 /nfs/dbraw/zinc/18/19/96/1074181996.db2.gz XBDOINAJCWBYGB-ACJLOTCBSA-N 1 2 429.543 -0.485 20 0 IBADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC001319047659 1074182475 /nfs/dbraw/zinc/18/24/75/1074182475.db2.gz XBDOINAJCWBYGB-FZKQIMNGSA-N 1 2 429.543 -0.485 20 0 IBADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC001319047661 1074182530 /nfs/dbraw/zinc/18/25/30/1074182530.db2.gz XBDOINAJCWBYGB-SCLBCKFNSA-N 1 2 429.543 -0.485 20 0 IBADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC001319047663 1074182521 /nfs/dbraw/zinc/18/25/21/1074182521.db2.gz XBDOINAJCWBYGB-UGSOOPFHSA-N 1 2 429.543 -0.485 20 0 IBADLO CS(=O)(=O)Nc1cccc(F)c1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319126194 1074185526 /nfs/dbraw/zinc/18/55/26/1074185526.db2.gz CFRKFSUKKYSADV-AWEZNQCLSA-N 1 2 442.513 -0.006 20 0 IBADLO CS(=O)(=O)Nc1cccc(F)c1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319126196 1074185586 /nfs/dbraw/zinc/18/55/86/1074185586.db2.gz CFRKFSUKKYSADV-CQSZACIVSA-N 1 2 442.513 -0.006 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001319126571 1074185451 /nfs/dbraw/zinc/18/54/51/1074185451.db2.gz SYTKXIXVPKGIKU-KRWDZBQOSA-N 1 2 426.539 -0.366 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001319126572 1074185486 /nfs/dbraw/zinc/18/54/86/1074185486.db2.gz SYTKXIXVPKGIKU-QGZVFWFLSA-N 1 2 426.539 -0.366 20 0 IBADLO O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319131767 1074185722 /nfs/dbraw/zinc/18/57/22/1074185722.db2.gz DSQZGUXGWNAXEO-CABCVRRESA-N 1 2 425.511 -0.638 20 0 IBADLO O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319131768 1074185690 /nfs/dbraw/zinc/18/56/90/1074185690.db2.gz DSQZGUXGWNAXEO-GJZGRUSLSA-N 1 2 425.511 -0.638 20 0 IBADLO O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319131769 1074185751 /nfs/dbraw/zinc/18/57/51/1074185751.db2.gz DSQZGUXGWNAXEO-HUUCEWRRSA-N 1 2 425.511 -0.638 20 0 IBADLO O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001319131770 1074185470 /nfs/dbraw/zinc/18/54/70/1074185470.db2.gz DSQZGUXGWNAXEO-LSDHHAIUSA-N 1 2 425.511 -0.638 20 0 IBADLO CNC(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC001319157348 1074186878 /nfs/dbraw/zinc/18/68/78/1074186878.db2.gz NTMZXDKCMGSEQV-UHFFFAOYSA-N 1 2 438.448 -0.377 20 0 IBADLO NC(=O)C1CCN(C(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001319226274 1074187998 /nfs/dbraw/zinc/18/79/98/1074187998.db2.gz FBHLLUPQRFKARU-UHFFFAOYSA-N 1 2 431.493 -0.223 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC001319283067 1074189473 /nfs/dbraw/zinc/18/94/73/1074189473.db2.gz GLVIHUYLJOVSRO-UHFFFAOYSA-N 1 2 445.563 -0.380 20 0 IBADLO O=C(COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001319321347 1074190373 /nfs/dbraw/zinc/19/03/73/1074190373.db2.gz GWYFPEOZLYPYIH-HNNXBMFYSA-N 1 2 438.506 -0.643 20 0 IBADLO O=C(COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001319321348 1074190448 /nfs/dbraw/zinc/19/04/48/1074190448.db2.gz GWYFPEOZLYPYIH-OAHLLOKOSA-N 1 2 438.506 -0.643 20 0 IBADLO NC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001319325921 1074190355 /nfs/dbraw/zinc/19/03/55/1074190355.db2.gz VSPJCNCUEMQPNM-UHFFFAOYSA-N 1 2 439.538 -0.590 20 0 IBADLO NC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001319325921 1074190350 /nfs/dbraw/zinc/19/03/50/1074190350.db2.gz VSPJCNCUEMQPNM-UHFFFAOYSA-N 1 2 439.538 -0.590 20 0 IBADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001319327079 1074190457 /nfs/dbraw/zinc/19/04/57/1074190457.db2.gz RTVHDTAFEPNGLT-NRFANRHFSA-N 1 2 431.493 -0.073 20 0 IBADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001319327080 1074190426 /nfs/dbraw/zinc/19/04/26/1074190426.db2.gz RTVHDTAFEPNGLT-OAQYLSRUSA-N 1 2 431.493 -0.073 20 0 IBADLO CNC(=O)C1CCN(c2nc(NCCOC)nc(N3CCC(C(=O)NC)CC3)[nH+]2)CC1 ZINC001319338977 1074190994 /nfs/dbraw/zinc/19/09/94/1074190994.db2.gz PPFLXLMUIWPJNA-UHFFFAOYSA-N 1 2 434.545 -0.723 20 0 IBADLO Cn1c(N)c(C(=O)C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c(=O)n(C)c1=O ZINC001319475777 1074194967 /nfs/dbraw/zinc/19/49/67/1074194967.db2.gz ZGEOOURXAAVYOM-UHFFFAOYSA-N 1 2 439.472 -0.143 20 0 IBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cn1 ZINC001319496603 1074195941 /nfs/dbraw/zinc/19/59/41/1074195941.db2.gz OZROYJHWARFNFE-UHFFFAOYSA-N 1 2 425.515 -0.090 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)CCNS(C)(=O)=O)CC2)cc1 ZINC001319535349 1074197158 /nfs/dbraw/zinc/19/71/58/1074197158.db2.gz UGBYTJMBBNZOFS-INIZCTEOSA-N 1 2 446.595 -0.303 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)CCNS(C)(=O)=O)CC2)cc1 ZINC001319535349 1074197151 /nfs/dbraw/zinc/19/71/51/1074197151.db2.gz UGBYTJMBBNZOFS-INIZCTEOSA-N 1 2 446.595 -0.303 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O)CC2)cc1 ZINC001319535358 1074197195 /nfs/dbraw/zinc/19/71/95/1074197195.db2.gz UGBYTJMBBNZOFS-MRXNPFEDSA-N 1 2 446.595 -0.303 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)CCNS(C)(=O)=O)CC2)cc1 ZINC001319535358 1074197190 /nfs/dbraw/zinc/19/71/90/1074197190.db2.gz UGBYTJMBBNZOFS-MRXNPFEDSA-N 1 2 446.595 -0.303 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)cn1C ZINC001319585484 1074198135 /nfs/dbraw/zinc/19/81/35/1074198135.db2.gz KIUHNNZXSGNKKN-KRWDZBQOSA-N 1 2 443.570 -0.719 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)cn1C ZINC001319585485 1074198103 /nfs/dbraw/zinc/19/81/03/1074198103.db2.gz KIUHNNZXSGNKKN-QGZVFWFLSA-N 1 2 443.570 -0.719 20 0 IBADLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1S(=O)(=O)N(C)C ZINC001319760344 1074201864 /nfs/dbraw/zinc/20/18/64/1074201864.db2.gz MRLYBPZSDAKBIY-UHFFFAOYSA-N 1 2 439.494 -0.442 20 0 IBADLO COCCCN(C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001319794690 1074202331 /nfs/dbraw/zinc/20/23/31/1074202331.db2.gz ATKWBXVGGFPFNI-MSOLQXFVSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCCN(C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001319794695 1074202273 /nfs/dbraw/zinc/20/22/73/1074202273.db2.gz ATKWBXVGGFPFNI-QZTJIDSGSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCCN(C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001319794697 1074202349 /nfs/dbraw/zinc/20/23/49/1074202349.db2.gz ATKWBXVGGFPFNI-ROUUACIJSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCCN(C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001319794699 1074202384 /nfs/dbraw/zinc/20/23/84/1074202384.db2.gz ATKWBXVGGFPFNI-ZWKOTPCHSA-N 1 2 432.587 -0.372 20 0 IBADLO COc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OCC(N)=O ZINC001319811397 1074202812 /nfs/dbraw/zinc/20/28/12/1074202812.db2.gz XNEJPMDUCSUYJU-UHFFFAOYSA-N 1 2 441.554 -0.831 20 0 IBADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001319888745 1074204821 /nfs/dbraw/zinc/20/48/21/1074204821.db2.gz ONKXYXGVFQRLAF-INIZCTEOSA-N 1 2 425.507 -0.491 20 0 IBADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001319888748 1074204722 /nfs/dbraw/zinc/20/47/22/1074204722.db2.gz ONKXYXGVFQRLAF-MRXNPFEDSA-N 1 2 425.507 -0.491 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001319890883 1074204755 /nfs/dbraw/zinc/20/47/55/1074204755.db2.gz WFVYMQXHVKMCDM-LHSJRXKWSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001319890883 1074204748 /nfs/dbraw/zinc/20/47/48/1074204748.db2.gz WFVYMQXHVKMCDM-LHSJRXKWSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001319890884 1074204703 /nfs/dbraw/zinc/20/47/03/1074204703.db2.gz WFVYMQXHVKMCDM-QKKBWIMNSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001319890884 1074204697 /nfs/dbraw/zinc/20/46/97/1074204697.db2.gz WFVYMQXHVKMCDM-QKKBWIMNSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001319890885 1074204894 /nfs/dbraw/zinc/20/48/94/1074204894.db2.gz WFVYMQXHVKMCDM-SPLOXXLWSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001319890885 1074204885 /nfs/dbraw/zinc/20/48/85/1074204885.db2.gz WFVYMQXHVKMCDM-SPLOXXLWSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001319890886 1074204807 /nfs/dbraw/zinc/20/48/07/1074204807.db2.gz WFVYMQXHVKMCDM-SZNDQCEHSA-N 1 2 431.493 -0.163 20 0 IBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1=O ZINC001319890886 1074204800 /nfs/dbraw/zinc/20/48/00/1074204800.db2.gz WFVYMQXHVKMCDM-SZNDQCEHSA-N 1 2 431.493 -0.163 20 0 IBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001319904517 1074204842 /nfs/dbraw/zinc/20/48/42/1074204842.db2.gz ITSOPWSWBSDCNK-AWEZNQCLSA-N 1 2 432.550 -0.014 20 0 IBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001319904520 1074204869 /nfs/dbraw/zinc/20/48/69/1074204869.db2.gz ITSOPWSWBSDCNK-CQSZACIVSA-N 1 2 432.550 -0.014 20 0 IBADLO CN(C(=O)c1coc(S(N)(=O)=O)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001319977184 1074206209 /nfs/dbraw/zinc/20/62/09/1074206209.db2.gz NZSBNLOTQIYGQG-UHFFFAOYSA-N 1 2 427.527 -0.763 20 0 IBADLO COCCCS(=O)(=O)NCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC001320213826 1074210283 /nfs/dbraw/zinc/21/02/83/1074210283.db2.gz VYHFOPZFLKMMEE-UHFFFAOYSA-N 1 2 438.510 -0.025 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245263 1074210927 /nfs/dbraw/zinc/21/09/27/1074210927.db2.gz BHIJGJCHPCWXIV-DZKIICNBSA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245263 1074210924 /nfs/dbraw/zinc/21/09/24/1074210924.db2.gz BHIJGJCHPCWXIV-DZKIICNBSA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245264 1074210777 /nfs/dbraw/zinc/21/07/77/1074210777.db2.gz BHIJGJCHPCWXIV-FMKPAKJESA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245264 1074210769 /nfs/dbraw/zinc/21/07/69/1074210769.db2.gz BHIJGJCHPCWXIV-FMKPAKJESA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245267 1074210799 /nfs/dbraw/zinc/21/07/99/1074210799.db2.gz BHIJGJCHPCWXIV-LZWOXQAQSA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245267 1074210794 /nfs/dbraw/zinc/21/07/94/1074210794.db2.gz BHIJGJCHPCWXIV-LZWOXQAQSA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245269 1074210850 /nfs/dbraw/zinc/21/08/50/1074210850.db2.gz BHIJGJCHPCWXIV-YCPHGPKFSA-N 1 2 444.941 -0.470 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001320245269 1074210840 /nfs/dbraw/zinc/21/08/40/1074210840.db2.gz BHIJGJCHPCWXIV-YCPHGPKFSA-N 1 2 444.941 -0.470 20 0 IBADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001320308629 1074211894 /nfs/dbraw/zinc/21/18/94/1074211894.db2.gz OESFLTIBTSLNST-CYBMUJFWSA-N 1 2 436.494 -0.608 20 0 IBADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001320308630 1074211852 /nfs/dbraw/zinc/21/18/52/1074211852.db2.gz OESFLTIBTSLNST-ZDUSSCGKSA-N 1 2 436.494 -0.608 20 0 IBADLO CS(=O)(=O)NC1CCN(c2cc(N3CCC(NS(C)(=O)=O)CC3)[nH+]cn2)CC1 ZINC001320492376 1074214409 /nfs/dbraw/zinc/21/44/09/1074214409.db2.gz SISCVCKUXBSGLT-UHFFFAOYSA-N 1 2 432.572 -0.487 20 0 IBADLO COC(=O)c1cn([C@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)nn1 ZINC001320515013 1074214438 /nfs/dbraw/zinc/21/44/38/1074214438.db2.gz YJYUZFUQSFQZFY-HNNXBMFYSA-N 1 2 442.542 -0.080 20 0 IBADLO COC(=O)c1cn([C@@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)nn1 ZINC001320515015 1074214374 /nfs/dbraw/zinc/21/43/74/1074214374.db2.gz YJYUZFUQSFQZFY-OAHLLOKOSA-N 1 2 442.542 -0.080 20 0 IBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001320554707 1074214908 /nfs/dbraw/zinc/21/49/08/1074214908.db2.gz CWLFXJJGIPZRQA-UHFFFAOYSA-N 1 2 439.600 -0.399 20 0 IBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](CCS(=O)(=O)CCC(N)=O)C2)C(=O)C1 ZINC001320565664 1074214767 /nfs/dbraw/zinc/21/47/67/1074214767.db2.gz LIEVWGXIVOJFNU-HNNXBMFYSA-N 1 2 446.570 -0.180 20 0 IBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CCS(=O)(=O)CCC(N)=O)C2)C(=O)C1 ZINC001320565664 1074214760 /nfs/dbraw/zinc/21/47/60/1074214760.db2.gz LIEVWGXIVOJFNU-HNNXBMFYSA-N 1 2 446.570 -0.180 20 0 IBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CCS(=O)(=O)CCC(N)=O)C2)C(=O)C1 ZINC001320565665 1074214831 /nfs/dbraw/zinc/21/48/31/1074214831.db2.gz LIEVWGXIVOJFNU-OAHLLOKOSA-N 1 2 446.570 -0.180 20 0 IBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CCS(=O)(=O)CCC(N)=O)C2)C(=O)C1 ZINC001320565665 1074214826 /nfs/dbraw/zinc/21/48/26/1074214826.db2.gz LIEVWGXIVOJFNU-OAHLLOKOSA-N 1 2 446.570 -0.180 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1[nH]ncc1I ZINC001320620092 1074215832 /nfs/dbraw/zinc/21/58/32/1074215832.db2.gz MFMFFYNJDRULNX-JTQLQIEISA-N 1 2 433.250 -0.323 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1[nH]ncc1I ZINC001320620093 1074215819 /nfs/dbraw/zinc/21/58/19/1074215819.db2.gz MFMFFYNJDRULNX-SNVBAGLBSA-N 1 2 433.250 -0.323 20 0 IBADLO Cc1ncc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001320662024 1074217176 /nfs/dbraw/zinc/21/71/76/1074217176.db2.gz NTUNXNHLIPVQRT-UHFFFAOYSA-N 1 2 447.359 -0.202 20 0 IBADLO COCc1noc(CN2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)n1 ZINC001320803680 1074219745 /nfs/dbraw/zinc/21/97/45/1074219745.db2.gz PDPDWYIMTFITTL-UHFFFAOYSA-N 1 2 444.558 -0.448 20 0 IBADLO CCOC1CC(CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)([NH+]2CCOCC2)C1 ZINC001320811174 1074219667 /nfs/dbraw/zinc/21/96/67/1074219667.db2.gz BYBFFNXBAQFMJK-UHFFFAOYSA-N 1 2 434.497 -0.319 20 0 IBADLO CC(=O)N1CCC(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001320910257 1074221472 /nfs/dbraw/zinc/22/14/72/1074221472.db2.gz MJONTUXZRWIVRX-GOSISDBHSA-N 1 2 438.525 -0.630 20 0 IBADLO CC(=O)N1CCC(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001320910259 1074221397 /nfs/dbraw/zinc/22/13/97/1074221397.db2.gz MJONTUXZRWIVRX-SFHVURJKSA-N 1 2 438.525 -0.630 20 0 IBADLO CS(=O)(=O)Cc1nc(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001320919091 1074221483 /nfs/dbraw/zinc/22/14/83/1074221483.db2.gz WVAUQLXVYJGPMO-CYBMUJFWSA-N 1 2 431.536 -0.088 20 0 IBADLO CS(=O)(=O)Cc1nc(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001320919092 1074221428 /nfs/dbraw/zinc/22/14/28/1074221428.db2.gz WVAUQLXVYJGPMO-ZDUSSCGKSA-N 1 2 431.536 -0.088 20 0 IBADLO CCOC1CC(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)([NH+]2CCOCC2)C1 ZINC001320937905 1074221509 /nfs/dbraw/zinc/22/15/09/1074221509.db2.gz LIUXNTCRTXZGOZ-JFBVMJNESA-N 1 2 443.566 -0.592 20 0 IBADLO CCOC1CC(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)([NH+]2CCOCC2)C1 ZINC001320937906 1074221520 /nfs/dbraw/zinc/22/15/20/1074221520.db2.gz LIUXNTCRTXZGOZ-RIGHFQGKSA-N 1 2 443.566 -0.592 20 0 IBADLO CCOC1CC(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)([NH+]2CCOCC2)C1 ZINC001320937907 1074221803 /nfs/dbraw/zinc/22/18/03/1074221803.db2.gz LIUXNTCRTXZGOZ-VPRUJKLYSA-N 1 2 443.566 -0.592 20 0 IBADLO CCOC1CC(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)([NH+]2CCOCC2)C1 ZINC001320937908 1074221842 /nfs/dbraw/zinc/22/18/42/1074221842.db2.gz LIUXNTCRTXZGOZ-ZRDSACAASA-N 1 2 443.566 -0.592 20 0 IBADLO CC(C)[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321169509 1074226250 /nfs/dbraw/zinc/22/62/50/1074226250.db2.gz JNRFINLIPQIIGV-HNNXBMFYSA-N 1 2 443.512 -0.729 20 0 IBADLO CC(C)[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321169526 1074226127 /nfs/dbraw/zinc/22/61/27/1074226127.db2.gz JNRFINLIPQIIGV-OAHLLOKOSA-N 1 2 443.512 -0.729 20 0 IBADLO COC(=O)NC1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001321254740 1074227944 /nfs/dbraw/zinc/22/79/44/1074227944.db2.gz CYXPBCNXFJQWMB-UHFFFAOYSA-N 1 2 426.499 -0.717 20 0 IBADLO Cn1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)[nH]c1=O ZINC001321285091 1074228822 /nfs/dbraw/zinc/22/88/22/1074228822.db2.gz BLJBKNAEARPJGF-CYBMUJFWSA-N 1 2 429.481 -0.938 20 0 IBADLO Cn1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)[nH]c1=O ZINC001321285092 1074228776 /nfs/dbraw/zinc/22/87/76/1074228776.db2.gz BLJBKNAEARPJGF-ZDUSSCGKSA-N 1 2 429.481 -0.938 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCN2C(=O)CCC2=O)CC3)CC1 ZINC001321291403 1074228714 /nfs/dbraw/zinc/22/87/14/1074228714.db2.gz URNQCLKKSQNERW-HNNXBMFYSA-N 1 2 430.509 -0.512 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCN2C(=O)CCC2=O)CC3)CC1 ZINC001321291407 1074228732 /nfs/dbraw/zinc/22/87/32/1074228732.db2.gz URNQCLKKSQNERW-OAHLLOKOSA-N 1 2 430.509 -0.512 20 0 IBADLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001321297177 1074229295 /nfs/dbraw/zinc/22/92/95/1074229295.db2.gz XRMUHCUTMVVJAL-UHFFFAOYSA-N 1 2 432.568 -0.049 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)CC3)CC1 ZINC001321326771 1074230055 /nfs/dbraw/zinc/23/00/55/1074230055.db2.gz YBUVSVKVRYHUEW-CRAIPNDOSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)CC3)CC1 ZINC001321326773 1074230209 /nfs/dbraw/zinc/23/02/09/1074230209.db2.gz YBUVSVKVRYHUEW-MAUKXSAKSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)CC3)CC1 ZINC001321326775 1074230081 /nfs/dbraw/zinc/23/00/81/1074230081.db2.gz YBUVSVKVRYHUEW-QAPCUYQASA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)CC3)CC1 ZINC001321326777 1074230187 /nfs/dbraw/zinc/23/01/87/1074230187.db2.gz YBUVSVKVRYHUEW-YJBOKZPZSA-N 1 2 437.566 -0.083 20 0 IBADLO CCOC(=O)c1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC001321344224 1074230511 /nfs/dbraw/zinc/23/05/11/1074230511.db2.gz NUYPEFGYBHPKLF-UHFFFAOYSA-N 1 2 431.540 -0.430 20 0 IBADLO CS(=O)(=O)Cc1noc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC001321345509 1074230606 /nfs/dbraw/zinc/23/06/06/1074230606.db2.gz GGCLSRZZPPEART-CYBMUJFWSA-N 1 2 430.483 -0.629 20 0 IBADLO CS(=O)(=O)Cc1noc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC001321345510 1074230466 /nfs/dbraw/zinc/23/04/66/1074230466.db2.gz GGCLSRZZPPEART-ZDUSSCGKSA-N 1 2 430.483 -0.629 20 0 IBADLO O=C1C[C@]2(CCN(c3nc(N4CC[C@@]5(CNC(=O)C5)C4)[nH+]c(N4CCOCC4)n3)C2)CN1 ZINC001321397741 1074231048 /nfs/dbraw/zinc/23/10/48/1074231048.db2.gz SHSKPDSTLNAFDW-NHCUHLMSSA-N 1 2 442.524 -0.859 20 0 IBADLO O=C1C[C@]2(CCN(c3nc(N4CCOCC4)nc(N4CC[C@@]5(CNC(=O)C5)C4)[nH+]3)C2)CN1 ZINC001321397741 1074231039 /nfs/dbraw/zinc/23/10/39/1074231039.db2.gz SHSKPDSTLNAFDW-NHCUHLMSSA-N 1 2 442.524 -0.859 20 0 IBADLO O=C1C[C@@]2(CCN(c3nc(N4CC[C@]5(CNC(=O)C5)C4)[nH+]c(N4CCOCC4)n3)C2)CN1 ZINC001321397743 1074230994 /nfs/dbraw/zinc/23/09/94/1074230994.db2.gz SHSKPDSTLNAFDW-SFTDATJTSA-N 1 2 442.524 -0.859 20 0 IBADLO O=C1C[C@@]2(CCN(c3nc(N4CCOCC4)nc(N4CC[C@]5(CNC(=O)C5)C4)[nH+]3)C2)CN1 ZINC001321397743 1074230988 /nfs/dbraw/zinc/23/09/88/1074230988.db2.gz SHSKPDSTLNAFDW-SFTDATJTSA-N 1 2 442.524 -0.859 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)CN1CCC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC001321452677 1074231829 /nfs/dbraw/zinc/23/18/29/1074231829.db2.gz WDMKJDIEXXRZJX-UHFFFAOYSA-N 1 2 430.557 -0.222 20 0 IBADLO CN(Cc1cnn(C)c1)C(=O)CN1CCC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC001321452677 1074231823 /nfs/dbraw/zinc/23/18/23/1074231823.db2.gz WDMKJDIEXXRZJX-UHFFFAOYSA-N 1 2 430.557 -0.222 20 0 IBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001321508160 1074232684 /nfs/dbraw/zinc/23/26/84/1074232684.db2.gz VAEZGMALDRLJAR-GOSISDBHSA-N 1 2 444.554 -0.773 20 0 IBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001321508162 1074232745 /nfs/dbraw/zinc/23/27/45/1074232745.db2.gz VAEZGMALDRLJAR-SFHVURJKSA-N 1 2 444.554 -0.773 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001321531428 1074232660 /nfs/dbraw/zinc/23/26/60/1074232660.db2.gz TZFHTWUOIDNBNH-GDBMZVCRSA-N 1 2 425.511 -0.811 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001321531473 1074233038 /nfs/dbraw/zinc/23/30/38/1074233038.db2.gz TZFHTWUOIDNBNH-GOEBONIOSA-N 1 2 425.511 -0.811 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001321531475 1074233031 /nfs/dbraw/zinc/23/30/31/1074233031.db2.gz TZFHTWUOIDNBNH-HOCLYGCPSA-N 1 2 425.511 -0.811 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001321531478 1074233045 /nfs/dbraw/zinc/23/30/45/1074233045.db2.gz TZFHTWUOIDNBNH-ZBFHGGJFSA-N 1 2 425.511 -0.811 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001321625313 1074234272 /nfs/dbraw/zinc/23/42/72/1074234272.db2.gz OXXPANOOQOHFDP-UHFFFAOYSA-N 1 2 447.579 -0.462 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001321667889 1074234654 /nfs/dbraw/zinc/23/46/54/1074234654.db2.gz VCEGTDFMUXDCON-UHFFFAOYSA-N 1 2 434.609 -0.193 20 0 IBADLO CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1OC ZINC001321673366 1074234632 /nfs/dbraw/zinc/23/46/32/1074234632.db2.gz TVFYPNMQZYPANN-UHFFFAOYSA-N 1 2 433.552 -0.158 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001321683563 1074234558 /nfs/dbraw/zinc/23/45/58/1074234558.db2.gz PAFBJQDSUALKCJ-HNNXBMFYSA-N 1 2 438.510 -0.681 20 0 IBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001321683564 1074234607 /nfs/dbraw/zinc/23/46/07/1074234607.db2.gz PAFBJQDSUALKCJ-OAHLLOKOSA-N 1 2 438.510 -0.681 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc1 ZINC001321782349 1074236400 /nfs/dbraw/zinc/23/64/00/1074236400.db2.gz SOHKNDSNDXCOFB-KRWDZBQOSA-N 1 2 437.566 -0.633 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)cc1 ZINC001321782349 1074236397 /nfs/dbraw/zinc/23/63/97/1074236397.db2.gz SOHKNDSNDXCOFB-KRWDZBQOSA-N 1 2 437.566 -0.633 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc1 ZINC001321782351 1074236376 /nfs/dbraw/zinc/23/63/76/1074236376.db2.gz SOHKNDSNDXCOFB-QGZVFWFLSA-N 1 2 437.566 -0.633 20 0 IBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)cc1 ZINC001321782351 1074236369 /nfs/dbraw/zinc/23/63/69/1074236369.db2.gz SOHKNDSNDXCOFB-QGZVFWFLSA-N 1 2 437.566 -0.633 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001321815314 1074236824 /nfs/dbraw/zinc/23/68/24/1074236824.db2.gz SOHYOJHQNIEQKP-CYBMUJFWSA-N 1 2 436.494 -0.620 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001321815316 1074236894 /nfs/dbraw/zinc/23/68/94/1074236894.db2.gz SOHYOJHQNIEQKP-ZDUSSCGKSA-N 1 2 436.494 -0.620 20 0 IBADLO Cc1nc[nH]c(=O)c1CCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001321815835 1074236849 /nfs/dbraw/zinc/23/68/49/1074236849.db2.gz VYGGWNCSEQYFAL-UHFFFAOYSA-N 1 2 440.464 -0.008 20 0 IBADLO Cn1nccc1COCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001321962093 1074239795 /nfs/dbraw/zinc/23/97/95/1074239795.db2.gz QKIWZDDSLRRHFG-INIZCTEOSA-N 1 2 429.525 -0.100 20 0 IBADLO Cn1nccc1COCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001321962094 1074239840 /nfs/dbraw/zinc/23/98/40/1074239840.db2.gz QKIWZDDSLRRHFG-MRXNPFEDSA-N 1 2 429.525 -0.100 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 ZINC001322009452 1074240600 /nfs/dbraw/zinc/24/06/00/1074240600.db2.gz YLBHPZYBEYRTTL-UHFFFAOYSA-N 1 2 434.541 -0.070 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 ZINC001322009452 1074240589 /nfs/dbraw/zinc/24/05/89/1074240589.db2.gz YLBHPZYBEYRTTL-UHFFFAOYSA-N 1 2 434.541 -0.070 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)CC3)CC1 ZINC001322133341 1074241997 /nfs/dbraw/zinc/24/19/97/1074241997.db2.gz MKMUOYKSSOSSGI-AWEZNQCLSA-N 1 2 425.555 -0.228 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)CC3)CC1 ZINC001322133342 1074241972 /nfs/dbraw/zinc/24/19/72/1074241972.db2.gz MKMUOYKSSOSSGI-CQSZACIVSA-N 1 2 425.555 -0.228 20 0 IBADLO Cc1nc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001322269690 1074244066 /nfs/dbraw/zinc/24/40/66/1074244066.db2.gz LNRLRVCIWIMCPQ-UHFFFAOYSA-N 1 2 429.407 -0.005 20 0 IBADLO NC(=O)N1CCN2C(=O)N(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)C(=O)[C@@H]2C1 ZINC001322311180 1074244527 /nfs/dbraw/zinc/24/45/27/1074244527.db2.gz QWNVZSWIYLNWKY-KRWDZBQOSA-N 1 2 444.492 -0.838 20 0 IBADLO NC(=O)N1CCN2C(=O)N(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)C(=O)[C@H]2C1 ZINC001322311181 1074244584 /nfs/dbraw/zinc/24/45/84/1074244584.db2.gz QWNVZSWIYLNWKY-QGZVFWFLSA-N 1 2 444.492 -0.838 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC001322414051 1074245303 /nfs/dbraw/zinc/24/53/03/1074245303.db2.gz MWQCVNLTEGCSKF-IBGZPJMESA-N 1 2 445.520 -0.124 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CC[C@H]3NC(=O)NC3=O)cc2)CC1 ZINC001322414054 1074245402 /nfs/dbraw/zinc/24/54/02/1074245402.db2.gz MWQCVNLTEGCSKF-LJQANCHMSA-N 1 2 445.520 -0.124 20 0 IBADLO CN(CCNS(C)(=O)=O)c1cc(N(C)CCNS(C)(=O)=O)c2ccncc2[nH+]1 ZINC001322441773 1074245929 /nfs/dbraw/zinc/24/59/29/1074245929.db2.gz QZXWNJCAUMVUPE-UHFFFAOYSA-N 1 2 430.556 -0.399 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCN2C(=O)CNC2=O)CC3)CC1 ZINC001322511864 1074246792 /nfs/dbraw/zinc/24/67/92/1074246792.db2.gz JSODCZRLMHNDTN-HNNXBMFYSA-N 1 2 445.524 -0.719 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCN2C(=O)CNC2=O)CC3)CC1 ZINC001322511865 1074246787 /nfs/dbraw/zinc/24/67/87/1074246787.db2.gz JSODCZRLMHNDTN-OAHLLOKOSA-N 1 2 445.524 -0.719 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)CC3)CC1 ZINC001322513395 1074246822 /nfs/dbraw/zinc/24/68/22/1074246822.db2.gz WSTPOTKTNBWZNT-HNNXBMFYSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)CC3)CC1 ZINC001322513396 1074246712 /nfs/dbraw/zinc/24/67/12/1074246712.db2.gz WSTPOTKTNBWZNT-OAHLLOKOSA-N 1 2 437.566 -0.083 20 0 IBADLO CNC(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001322587347 1074248498 /nfs/dbraw/zinc/24/84/98/1074248498.db2.gz BKSRIKGJBTXPBM-UHFFFAOYSA-N 1 2 432.506 -0.282 20 0 IBADLO CCN(C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1)S(C)(=O)=O ZINC001322650135 1074249364 /nfs/dbraw/zinc/24/93/64/1074249364.db2.gz KJHBPKGVCIKRPK-UHFFFAOYSA-N 1 2 438.616 -0.049 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001322650533 1074249454 /nfs/dbraw/zinc/24/94/54/1074249454.db2.gz NVXPHSMHKZKTGA-UHFFFAOYSA-N 1 2 432.568 -0.315 20 0 IBADLO CNS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC001322651196 1074249318 /nfs/dbraw/zinc/24/93/18/1074249318.db2.gz YWWYNTBKVJVBAW-UHFFFAOYSA-N 1 2 438.597 -0.036 20 0 IBADLO NC(=O)N1CCC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001322780372 1074250504 /nfs/dbraw/zinc/25/05/04/1074250504.db2.gz MCSNCFDBGHZKMK-UHFFFAOYSA-N 1 2 439.538 -0.590 20 0 IBADLO NC(=O)N1CCC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001322780372 1074250501 /nfs/dbraw/zinc/25/05/01/1074250501.db2.gz MCSNCFDBGHZKMK-UHFFFAOYSA-N 1 2 439.538 -0.590 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001322804787 1074251057 /nfs/dbraw/zinc/25/10/57/1074251057.db2.gz BRVLWQXIGUVBFM-UHFFFAOYSA-N 1 2 436.494 -0.620 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nc(N(C)CCNS(C)(=O)=O)c2ccccc2[nH+]1 ZINC001322809446 1074250992 /nfs/dbraw/zinc/25/09/92/1074250992.db2.gz ZMZJKSSUCGFBJC-UHFFFAOYSA-N 1 2 430.556 -0.399 20 0 IBADLO NC(=O)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001322861969 1074251583 /nfs/dbraw/zinc/25/15/83/1074251583.db2.gz LGBSFMKOPBFVNI-CABCVRRESA-N 1 2 442.563 -0.710 20 0 IBADLO NC(=O)CSc1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001322861972 1074251516 /nfs/dbraw/zinc/25/15/16/1074251516.db2.gz LGBSFMKOPBFVNI-GJZGRUSLSA-N 1 2 442.563 -0.710 20 0 IBADLO NC(=O)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001322861976 1074251527 /nfs/dbraw/zinc/25/15/27/1074251527.db2.gz LGBSFMKOPBFVNI-HUUCEWRRSA-N 1 2 442.563 -0.710 20 0 IBADLO NC(=O)CSc1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001322861980 1074251496 /nfs/dbraw/zinc/25/14/96/1074251496.db2.gz LGBSFMKOPBFVNI-LSDHHAIUSA-N 1 2 442.563 -0.710 20 0 IBADLO COc1ccc(C(=O)NCCN2CC[NH+](CC(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC001322862109 1074251812 /nfs/dbraw/zinc/25/18/12/1074251812.db2.gz NJNLTYLHBFEAFO-UHFFFAOYSA-N 1 2 431.537 -0.234 20 0 IBADLO CN(C[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1)S(C)(=O)=O ZINC001322901548 1074252365 /nfs/dbraw/zinc/25/23/65/1074252365.db2.gz UZFRLPLTZICOOJ-HNNXBMFYSA-N 1 2 438.616 -0.192 20 0 IBADLO CN(C[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1)S(C)(=O)=O ZINC001322901549 1074252336 /nfs/dbraw/zinc/25/23/36/1074252336.db2.gz UZFRLPLTZICOOJ-OAHLLOKOSA-N 1 2 438.616 -0.192 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC001323103922 1074254047 /nfs/dbraw/zinc/25/40/47/1074254047.db2.gz BUQYVEFHXPSMIN-GOOCMWNKSA-N 1 2 442.476 -0.203 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001323192197 1074254397 /nfs/dbraw/zinc/25/43/97/1074254397.db2.gz GWTNDPUKGRSGOB-VIFPVBQESA-N 1 2 438.242 -0.484 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001323192197 1074254393 /nfs/dbraw/zinc/25/43/93/1074254393.db2.gz GWTNDPUKGRSGOB-VIFPVBQESA-N 1 2 438.242 -0.484 20 0 IBADLO NC(=O)c1cnn2c1nccc2C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001323249619 1074255230 /nfs/dbraw/zinc/25/52/30/1074255230.db2.gz QZOMXFMXQKOEIX-UHFFFAOYSA-N 1 2 437.464 -0.583 20 0 IBADLO NC(=O)c1cnn2c1nccc2C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001323249619 1074255227 /nfs/dbraw/zinc/25/52/27/1074255227.db2.gz QZOMXFMXQKOEIX-UHFFFAOYSA-N 1 2 437.464 -0.583 20 0 IBADLO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC001323365149 1074256726 /nfs/dbraw/zinc/25/67/26/1074256726.db2.gz XMHIFNBSCLREAM-BBRMVZONSA-N 1 2 426.543 -0.278 20 0 IBADLO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC001323365151 1074256733 /nfs/dbraw/zinc/25/67/33/1074256733.db2.gz XMHIFNBSCLREAM-CJNGLKHVSA-N 1 2 426.543 -0.278 20 0 IBADLO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC001323365154 1074256692 /nfs/dbraw/zinc/25/66/92/1074256692.db2.gz XMHIFNBSCLREAM-CZUORRHYSA-N 1 2 426.543 -0.278 20 0 IBADLO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC001323365157 1074256706 /nfs/dbraw/zinc/25/67/06/1074256706.db2.gz XMHIFNBSCLREAM-XJKSGUPXSA-N 1 2 426.543 -0.278 20 0 IBADLO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001323411333 1074257148 /nfs/dbraw/zinc/25/71/48/1074257148.db2.gz LROAGBXHMCGJOT-AWEZNQCLSA-N 1 2 427.527 -0.716 20 0 IBADLO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001323411333 1074257144 /nfs/dbraw/zinc/25/71/44/1074257144.db2.gz LROAGBXHMCGJOT-AWEZNQCLSA-N 1 2 427.527 -0.716 20 0 IBADLO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001323411336 1074257161 /nfs/dbraw/zinc/25/71/61/1074257161.db2.gz LROAGBXHMCGJOT-CQSZACIVSA-N 1 2 427.527 -0.716 20 0 IBADLO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001323411336 1074257157 /nfs/dbraw/zinc/25/71/57/1074257157.db2.gz LROAGBXHMCGJOT-CQSZACIVSA-N 1 2 427.527 -0.716 20 0 IBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001323509680 1074257885 /nfs/dbraw/zinc/25/78/85/1074257885.db2.gz WINCKJISDYQGGT-UHFFFAOYSA-N 1 2 439.538 -0.641 20 0 IBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001323534908 1074258087 /nfs/dbraw/zinc/25/80/87/1074258087.db2.gz PARPKHJJOBRTAZ-GOSISDBHSA-N 1 2 426.535 -0.055 20 0 IBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001323597921 1074258970 /nfs/dbraw/zinc/25/89/70/1074258970.db2.gz SBSUETICMYKBML-INIZCTEOSA-N 1 2 427.523 -0.686 20 0 IBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001323597922 1074258832 /nfs/dbraw/zinc/25/88/32/1074258832.db2.gz SBSUETICMYKBML-MRXNPFEDSA-N 1 2 427.523 -0.686 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001323643271 1074259299 /nfs/dbraw/zinc/25/92/99/1074259299.db2.gz QMBSDCOHDQTGMF-DOXZYTNZSA-N 1 2 446.552 -0.775 20 0 IBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001323643272 1074259335 /nfs/dbraw/zinc/25/93/35/1074259335.db2.gz QMBSDCOHDQTGMF-KHYOSLBOSA-N 1 2 446.552 -0.775 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001323643273 1074259321 /nfs/dbraw/zinc/25/93/21/1074259321.db2.gz QMBSDCOHDQTGMF-QMTMVMCOSA-N 1 2 446.552 -0.775 20 0 IBADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001323643274 1074259288 /nfs/dbraw/zinc/25/92/88/1074259288.db2.gz QMBSDCOHDQTGMF-YZVOILCLSA-N 1 2 446.552 -0.775 20 0 IBADLO COCCNc1nc(N2CCC(NC(C)=O)CC2)[nH+]c(N2CCC(NC(C)=O)CC2)n1 ZINC001323817478 1074260221 /nfs/dbraw/zinc/26/02/21/1074260221.db2.gz KRXJNYSFEPZRGG-UHFFFAOYSA-N 1 2 434.545 -0.438 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001323830476 1074260523 /nfs/dbraw/zinc/26/05/23/1074260523.db2.gz GWKXLROAWPRVTG-UHFFFAOYSA-N 1 2 438.616 -0.144 20 0 IBADLO COC(=O)c1cn([C@H]2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)nn1 ZINC001323877595 1074260602 /nfs/dbraw/zinc/26/06/02/1074260602.db2.gz MYLCMRYQWBEJQY-AWEZNQCLSA-N 1 2 428.515 -0.470 20 0 IBADLO COC(=O)c1cn([C@@H]2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)nn1 ZINC001323877598 1074260631 /nfs/dbraw/zinc/26/06/31/1074260631.db2.gz MYLCMRYQWBEJQY-CQSZACIVSA-N 1 2 428.515 -0.470 20 0 IBADLO O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001323919057 1074261109 /nfs/dbraw/zinc/26/11/09/1074261109.db2.gz DSDGPECFXIOSPX-KRWDZBQOSA-N 1 2 430.513 -0.315 20 0 IBADLO O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001323919059 1074261226 /nfs/dbraw/zinc/26/12/26/1074261226.db2.gz DSDGPECFXIOSPX-QGZVFWFLSA-N 1 2 430.513 -0.315 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001323929498 1074261275 /nfs/dbraw/zinc/26/12/75/1074261275.db2.gz MFXMXACGOIJNKT-BRWVUGGUSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001323929498 1074261272 /nfs/dbraw/zinc/26/12/72/1074261272.db2.gz MFXMXACGOIJNKT-BRWVUGGUSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001323929509 1074261202 /nfs/dbraw/zinc/26/12/02/1074261202.db2.gz MFXMXACGOIJNKT-IKGGRYGDSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001323929509 1074261199 /nfs/dbraw/zinc/26/11/99/1074261199.db2.gz MFXMXACGOIJNKT-IKGGRYGDSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001323929511 1074261178 /nfs/dbraw/zinc/26/11/78/1074261178.db2.gz MFXMXACGOIJNKT-IXDOHACOSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001323929511 1074261174 /nfs/dbraw/zinc/26/11/74/1074261174.db2.gz MFXMXACGOIJNKT-IXDOHACOSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001323929512 1074261249 /nfs/dbraw/zinc/26/12/49/1074261249.db2.gz MFXMXACGOIJNKT-ZACQAIPSSA-N 1 2 441.554 -0.903 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001323929512 1074261242 /nfs/dbraw/zinc/26/12/42/1074261242.db2.gz MFXMXACGOIJNKT-ZACQAIPSSA-N 1 2 441.554 -0.903 20 0 IBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001324036650 1074263122 /nfs/dbraw/zinc/26/31/22/1074263122.db2.gz HWSIJRCQKIKGGS-IBGZPJMESA-N 1 2 427.571 -0.026 20 0 IBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001324036651 1074263062 /nfs/dbraw/zinc/26/30/62/1074263062.db2.gz HWSIJRCQKIKGGS-LJQANCHMSA-N 1 2 427.571 -0.026 20 0 IBADLO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)CC2 ZINC001324086096 1074263610 /nfs/dbraw/zinc/26/36/10/1074263610.db2.gz UKMFLKFHRVTXOT-HNNXBMFYSA-N 1 2 442.538 -0.898 20 0 IBADLO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)CC2 ZINC001324086099 1074263584 /nfs/dbraw/zinc/26/35/84/1074263584.db2.gz UKMFLKFHRVTXOT-OAHLLOKOSA-N 1 2 442.538 -0.898 20 0 IBADLO CC(=O)N1CCC(NC(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001324187914 1074264944 /nfs/dbraw/zinc/26/49/44/1074264944.db2.gz XXQKTXBLPKWVHB-UHFFFAOYSA-N 1 2 431.541 -0.438 20 0 IBADLO NC(=O)CN1CCCN(c2nc3c(nc2N2CCC[N@@H+](CC(N)=O)CC2)CCCC3)CC1 ZINC001324219281 1074265522 /nfs/dbraw/zinc/26/55/22/1074265522.db2.gz BNTALDWCDZTKCJ-UHFFFAOYSA-N 1 2 444.584 -0.650 20 0 IBADLO NC(=O)CN1CCCN(c2nc3c(nc2N2CCC[N@H+](CC(N)=O)CC2)CCCC3)CC1 ZINC001324219281 1074265516 /nfs/dbraw/zinc/26/55/16/1074265516.db2.gz BNTALDWCDZTKCJ-UHFFFAOYSA-N 1 2 444.584 -0.650 20 0 IBADLO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)O ZINC001324315533 1074267617 /nfs/dbraw/zinc/26/76/17/1074267617.db2.gz DXGOOLRTTUWKFH-GDBMZVCRSA-N 1 2 428.530 -0.300 20 0 IBADLO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)O ZINC001324315534 1074267541 /nfs/dbraw/zinc/26/75/41/1074267541.db2.gz DXGOOLRTTUWKFH-GOEBONIOSA-N 1 2 428.530 -0.300 20 0 IBADLO CNS(=O)(=O)C1CCN(c2nc(N3CCC(S(=O)(=O)NC)CC3)c(C)c[nH+]2)CC1 ZINC001324460236 1074269517 /nfs/dbraw/zinc/26/95/17/1074269517.db2.gz SYXHWVPJECKFQB-UHFFFAOYSA-N 1 2 446.599 -0.179 20 0 IBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001324461977 1074269527 /nfs/dbraw/zinc/26/95/27/1074269527.db2.gz DYDBTGWPMSSVRH-HNNXBMFYSA-N 1 2 438.510 -0.316 20 0 IBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001324461978 1074269504 /nfs/dbraw/zinc/26/95/04/1074269504.db2.gz DYDBTGWPMSSVRH-OAHLLOKOSA-N 1 2 438.510 -0.316 20 0 IBADLO CC(C)C(CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC001324511474 1074269944 /nfs/dbraw/zinc/26/99/44/1074269944.db2.gz UDSVGUXHQYFBQX-UHFFFAOYSA-N 1 2 431.603 -0.333 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c1 ZINC001324617782 1074271538 /nfs/dbraw/zinc/27/15/38/1074271538.db2.gz CGBOUROPMYOIKG-CYBMUJFWSA-N 1 2 425.511 -0.276 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)c1 ZINC001324617783 1074271528 /nfs/dbraw/zinc/27/15/28/1074271528.db2.gz CGBOUROPMYOIKG-ZDUSSCGKSA-N 1 2 425.511 -0.276 20 0 IBADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656881 1074272487 /nfs/dbraw/zinc/27/24/87/1074272487.db2.gz HAUBMPNUYPKWSX-CEXWTWQISA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656881 1074272479 /nfs/dbraw/zinc/27/24/79/1074272479.db2.gz HAUBMPNUYPKWSX-CEXWTWQISA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656883 1074272582 /nfs/dbraw/zinc/27/25/82/1074272582.db2.gz HAUBMPNUYPKWSX-GBESFXJTSA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656883 1074272578 /nfs/dbraw/zinc/27/25/78/1074272578.db2.gz HAUBMPNUYPKWSX-GBESFXJTSA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656885 1074272554 /nfs/dbraw/zinc/27/25/54/1074272554.db2.gz HAUBMPNUYPKWSX-GUDVDZBRSA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656885 1074272548 /nfs/dbraw/zinc/27/25/48/1074272548.db2.gz HAUBMPNUYPKWSX-GUDVDZBRSA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656887 1074272600 /nfs/dbraw/zinc/27/26/00/1074272600.db2.gz HAUBMPNUYPKWSX-IPMKNSEASA-N 1 2 439.582 -0.361 20 0 IBADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001324656887 1074272593 /nfs/dbraw/zinc/27/25/93/1074272593.db2.gz HAUBMPNUYPKWSX-IPMKNSEASA-N 1 2 439.582 -0.361 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(NC(=O)COCCOC)CC2)CC1 ZINC001325008771 1074275236 /nfs/dbraw/zinc/27/52/36/1074275236.db2.gz QRVDYRAQGQUBPA-UHFFFAOYSA-N 1 2 426.558 -0.005 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(NC(=O)COCCOC)CC2)CC1 ZINC001325008771 1074275228 /nfs/dbraw/zinc/27/52/28/1074275228.db2.gz QRVDYRAQGQUBPA-UHFFFAOYSA-N 1 2 426.558 -0.005 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001325107059 1074276651 /nfs/dbraw/zinc/27/66/51/1074276651.db2.gz HBGXFOURFBFQCV-GOSISDBHSA-N 1 2 441.550 -0.137 20 0 IBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001325107061 1074276593 /nfs/dbraw/zinc/27/65/93/1074276593.db2.gz HBGXFOURFBFQCV-SFHVURJKSA-N 1 2 441.550 -0.137 20 0 IBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC001325374404 1074278066 /nfs/dbraw/zinc/27/80/66/1074278066.db2.gz BZYMKTWTEUOBDG-UHFFFAOYSA-N 1 2 430.509 -0.548 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001325423138 1074278552 /nfs/dbraw/zinc/27/85/52/1074278552.db2.gz OGGPEFLXDHVDTL-CABCVRRESA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001325423138 1074278544 /nfs/dbraw/zinc/27/85/44/1074278544.db2.gz OGGPEFLXDHVDTL-CABCVRRESA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001325423140 1074278582 /nfs/dbraw/zinc/27/85/82/1074278582.db2.gz OGGPEFLXDHVDTL-GJZGRUSLSA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001325423140 1074278573 /nfs/dbraw/zinc/27/85/73/1074278573.db2.gz OGGPEFLXDHVDTL-GJZGRUSLSA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001325423141 1074278613 /nfs/dbraw/zinc/27/86/13/1074278613.db2.gz OGGPEFLXDHVDTL-HUUCEWRRSA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001325423141 1074278606 /nfs/dbraw/zinc/27/86/06/1074278606.db2.gz OGGPEFLXDHVDTL-HUUCEWRRSA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001325423143 1074278649 /nfs/dbraw/zinc/27/86/49/1074278649.db2.gz OGGPEFLXDHVDTL-LSDHHAIUSA-N 1 2 425.530 -0.042 20 0 IBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001325423143 1074278642 /nfs/dbraw/zinc/27/86/42/1074278642.db2.gz OGGPEFLXDHVDTL-LSDHHAIUSA-N 1 2 425.530 -0.042 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001325941363 1074280323 /nfs/dbraw/zinc/28/03/23/1074280323.db2.gz COYCPRHMGYJODK-HNNXBMFYSA-N 1 2 440.570 -0.769 20 0 IBADLO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001325941364 1074280260 /nfs/dbraw/zinc/28/02/60/1074280260.db2.gz COYCPRHMGYJODK-OAHLLOKOSA-N 1 2 440.570 -0.769 20 0 IBADLO CN(C)[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cncn1C ZINC001325942415 1074280281 /nfs/dbraw/zinc/28/02/81/1074280281.db2.gz RLEYNGPOEJZSIQ-JXFKEZNVSA-N 1 2 442.568 -0.014 20 0 IBADLO CN(C)[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cncn1C ZINC001325942416 1074280235 /nfs/dbraw/zinc/28/02/35/1074280235.db2.gz RLEYNGPOEJZSIQ-OXJNMPFZSA-N 1 2 442.568 -0.014 20 0 IBADLO CN(C)[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cncn1C ZINC001325942417 1074280212 /nfs/dbraw/zinc/28/02/12/1074280212.db2.gz RLEYNGPOEJZSIQ-OXQOHEQNSA-N 1 2 442.568 -0.014 20 0 IBADLO CN(C)[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cncn1C ZINC001325942418 1074280829 /nfs/dbraw/zinc/28/08/29/1074280829.db2.gz RLEYNGPOEJZSIQ-UZLBHIALSA-N 1 2 442.568 -0.014 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3C(=O)CNC3=O)cc2)CC1 ZINC001326043707 1074280857 /nfs/dbraw/zinc/28/08/57/1074280857.db2.gz OZYMANBMVKOYRN-UHFFFAOYSA-N 1 2 431.493 -0.560 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001326048858 1074280799 /nfs/dbraw/zinc/28/07/99/1074280799.db2.gz SQHKIQUAVNCILP-DLBZAZTESA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001326048858 1074280797 /nfs/dbraw/zinc/28/07/97/1074280797.db2.gz SQHKIQUAVNCILP-DLBZAZTESA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326048859 1074280888 /nfs/dbraw/zinc/28/08/88/1074280888.db2.gz SQHKIQUAVNCILP-IAGOWNOFSA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326048859 1074280883 /nfs/dbraw/zinc/28/08/83/1074280883.db2.gz SQHKIQUAVNCILP-IAGOWNOFSA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001326048860 1074280816 /nfs/dbraw/zinc/28/08/16/1074280816.db2.gz SQHKIQUAVNCILP-IRXDYDNUSA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001326048860 1074280813 /nfs/dbraw/zinc/28/08/13/1074280813.db2.gz SQHKIQUAVNCILP-IRXDYDNUSA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326048861 1074280871 /nfs/dbraw/zinc/28/08/71/1074280871.db2.gz SQHKIQUAVNCILP-SJORKVTESA-N 1 2 425.555 -0.186 20 0 IBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326048861 1074280867 /nfs/dbraw/zinc/28/08/67/1074280867.db2.gz SQHKIQUAVNCILP-SJORKVTESA-N 1 2 425.555 -0.186 20 0 IBADLO CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001326197930 1074281817 /nfs/dbraw/zinc/28/18/17/1074281817.db2.gz TXKSHRHUIOZCQF-UHFFFAOYSA-N 1 2 432.568 -0.016 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001326640107 1074283842 /nfs/dbraw/zinc/28/38/42/1074283842.db2.gz CEIBCZBTJWLSRJ-GFCCVEGCSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001326640107 1074283839 /nfs/dbraw/zinc/28/38/39/1074283839.db2.gz CEIBCZBTJWLSRJ-GFCCVEGCSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001326640126 1074283870 /nfs/dbraw/zinc/28/38/70/1074283870.db2.gz CEIBCZBTJWLSRJ-LBPRGKRZSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001326640126 1074283862 /nfs/dbraw/zinc/28/38/62/1074283862.db2.gz CEIBCZBTJWLSRJ-LBPRGKRZSA-N 1 2 433.328 -0.207 20 0 IBADLO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001326722017 1074284275 /nfs/dbraw/zinc/28/42/75/1074284275.db2.gz ZNXWNEBIHZQMIR-NRFANRHFSA-N 1 2 429.477 -0.551 20 0 IBADLO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001326722017 1074284269 /nfs/dbraw/zinc/28/42/69/1074284269.db2.gz ZNXWNEBIHZQMIR-NRFANRHFSA-N 1 2 429.477 -0.551 20 0 IBADLO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001326722020 1074284323 /nfs/dbraw/zinc/28/43/23/1074284323.db2.gz ZNXWNEBIHZQMIR-OAQYLSRUSA-N 1 2 429.477 -0.551 20 0 IBADLO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001326722020 1074284316 /nfs/dbraw/zinc/28/43/16/1074284316.db2.gz ZNXWNEBIHZQMIR-OAQYLSRUSA-N 1 2 429.477 -0.551 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001326726586 1074284173 /nfs/dbraw/zinc/28/41/73/1074284173.db2.gz YCPKCMHLFNGMKC-INIZCTEOSA-N 1 2 436.600 -0.295 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001326726588 1074284300 /nfs/dbraw/zinc/28/43/00/1074284300.db2.gz YCPKCMHLFNGMKC-MRXNPFEDSA-N 1 2 436.600 -0.295 20 0 IBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 ZINC001327099734 1074286749 /nfs/dbraw/zinc/28/67/49/1074286749.db2.gz UPTMAHGZKHVAAK-INIZCTEOSA-N 1 2 447.521 -0.189 20 0 IBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 ZINC001327099735 1074286759 /nfs/dbraw/zinc/28/67/59/1074286759.db2.gz UPTMAHGZKHVAAK-MRXNPFEDSA-N 1 2 447.521 -0.189 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001327134994 1074286777 /nfs/dbraw/zinc/28/67/77/1074286777.db2.gz ORLDUIAKGWPLCB-GFCCVEGCSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001327134994 1074286773 /nfs/dbraw/zinc/28/67/73/1074286773.db2.gz ORLDUIAKGWPLCB-GFCCVEGCSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001327134997 1074286650 /nfs/dbraw/zinc/28/66/50/1074286650.db2.gz ORLDUIAKGWPLCB-LBPRGKRZSA-N 1 2 433.328 -0.207 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001327134997 1074286644 /nfs/dbraw/zinc/28/66/44/1074286644.db2.gz ORLDUIAKGWPLCB-LBPRGKRZSA-N 1 2 433.328 -0.207 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCC(=O)N2CCOCC2)CC3)CC1 ZINC001327191363 1074287190 /nfs/dbraw/zinc/28/71/90/1074287190.db2.gz PGRMYFMSQDIYNT-KRWDZBQOSA-N 1 2 446.552 -0.412 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCC(=O)N2CCOCC2)CC3)CC1 ZINC001327191364 1074287106 /nfs/dbraw/zinc/28/71/06/1074287106.db2.gz PGRMYFMSQDIYNT-QGZVFWFLSA-N 1 2 446.552 -0.412 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327341455 1074287588 /nfs/dbraw/zinc/28/75/88/1074287588.db2.gz AGPILYMZAKORSN-ARFHVFGLSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327341455 1074287585 /nfs/dbraw/zinc/28/75/85/1074287585.db2.gz AGPILYMZAKORSN-ARFHVFGLSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327341456 1074287508 /nfs/dbraw/zinc/28/75/08/1074287508.db2.gz AGPILYMZAKORSN-BZUAXINKSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327341456 1074287500 /nfs/dbraw/zinc/28/75/00/1074287500.db2.gz AGPILYMZAKORSN-BZUAXINKSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327341457 1074287642 /nfs/dbraw/zinc/28/76/42/1074287642.db2.gz AGPILYMZAKORSN-HRCADAONSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327341457 1074287637 /nfs/dbraw/zinc/28/76/37/1074287637.db2.gz AGPILYMZAKORSN-HRCADAONSA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327341459 1074287702 /nfs/dbraw/zinc/28/77/02/1074287702.db2.gz AGPILYMZAKORSN-OWCLPIDISA-N 1 2 428.555 -0.884 20 0 IBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327341459 1074287696 /nfs/dbraw/zinc/28/76/96/1074287696.db2.gz AGPILYMZAKORSN-OWCLPIDISA-N 1 2 428.555 -0.884 20 0 IBADLO CC(C)c1noc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001327395844 1074287661 /nfs/dbraw/zinc/28/76/61/1074287661.db2.gz AQLAEEPXFMJKHG-UHFFFAOYSA-N 1 2 429.547 -0.445 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC001327395974 1074287679 /nfs/dbraw/zinc/28/76/79/1074287679.db2.gz GMUYISLRPYPGHT-UHFFFAOYSA-N 1 2 429.520 -0.544 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001327439291 1074287688 /nfs/dbraw/zinc/28/76/88/1074287688.db2.gz SHAOBLDKWVBNJJ-UHFFFAOYSA-N 1 2 431.559 -0.725 20 0 IBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001327798595 1074288938 /nfs/dbraw/zinc/28/89/38/1074288938.db2.gz ZVFVODRXEXNSSQ-UHFFFAOYSA-N 1 2 438.550 -0.211 20 0 IBADLO Cc1nc(Cn2nnc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)c2C)no1 ZINC001327927218 1074289857 /nfs/dbraw/zinc/28/98/57/1074289857.db2.gz HZDPBERSYNDFEV-HNNXBMFYSA-N 1 2 432.485 -0.022 20 0 IBADLO Cc1nc(Cn2nnc(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)c2C)no1 ZINC001327927224 1074289735 /nfs/dbraw/zinc/28/97/35/1074289735.db2.gz HZDPBERSYNDFEV-OAHLLOKOSA-N 1 2 432.485 -0.022 20 0 IBADLO COC(=O)c1cn(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC001327949642 1074289799 /nfs/dbraw/zinc/28/97/99/1074289799.db2.gz RRYSHRPISBIIHK-AWEZNQCLSA-N 1 2 444.496 -0.972 20 0 IBADLO COC(=O)c1cn(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC001327949652 1074289753 /nfs/dbraw/zinc/28/97/53/1074289753.db2.gz RRYSHRPISBIIHK-CQSZACIVSA-N 1 2 444.496 -0.972 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001328139125 1074290159 /nfs/dbraw/zinc/29/01/59/1074290159.db2.gz BEWBONSKBTUCRQ-HNNXBMFYSA-N 1 2 427.527 -0.242 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001328139125 1074290155 /nfs/dbraw/zinc/29/01/55/1074290155.db2.gz BEWBONSKBTUCRQ-HNNXBMFYSA-N 1 2 427.527 -0.242 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001328139126 1074290186 /nfs/dbraw/zinc/29/01/86/1074290186.db2.gz BEWBONSKBTUCRQ-OAHLLOKOSA-N 1 2 427.527 -0.242 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001328139126 1074290181 /nfs/dbraw/zinc/29/01/81/1074290181.db2.gz BEWBONSKBTUCRQ-OAHLLOKOSA-N 1 2 427.527 -0.242 20 0 IBADLO COCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)cc1C ZINC001328913791 1074292203 /nfs/dbraw/zinc/29/22/03/1074292203.db2.gz QYVRVLZUGJXUCY-UHFFFAOYSA-N 1 2 441.554 -0.947 20 0 IBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(CCO)nc1C1CCOCC1 ZINC001329442846 1074293111 /nfs/dbraw/zinc/29/31/11/1074293111.db2.gz UGTJXFZDAJUEJU-KRWDZBQOSA-N 1 2 435.525 -0.568 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(CCO)nc1C1CCOCC1 ZINC001329442847 1074293128 /nfs/dbraw/zinc/29/31/28/1074293128.db2.gz UGTJXFZDAJUEJU-QGZVFWFLSA-N 1 2 435.525 -0.568 20 0 IBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001329820152 1074293991 /nfs/dbraw/zinc/29/39/91/1074293991.db2.gz HOBFUAPHNZSPAV-UHFFFAOYSA-N 1 2 433.534 -0.277 20 0 IBADLO Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C1)CC2 ZINC001330013991 1074294002 /nfs/dbraw/zinc/29/40/02/1074294002.db2.gz SVOUCZLWUOFCMK-CVEARBPZSA-N 1 2 440.552 -0.117 20 0 IBADLO Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C1)CC2 ZINC001330013993 1074294007 /nfs/dbraw/zinc/29/40/07/1074294007.db2.gz SVOUCZLWUOFCMK-HOTGVXAUSA-N 1 2 440.552 -0.117 20 0 IBADLO Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C1)CC2 ZINC001330013995 1074294662 /nfs/dbraw/zinc/29/46/62/1074294662.db2.gz SVOUCZLWUOFCMK-HZPDHXFCSA-N 1 2 440.552 -0.117 20 0 IBADLO Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C1)CC2 ZINC001330013998 1074294497 /nfs/dbraw/zinc/29/44/97/1074294497.db2.gz SVOUCZLWUOFCMK-JKSUJKDBSA-N 1 2 440.552 -0.117 20 0 IBADLO CNc1nc(N2CC[C@@H](CS(C)(=O)=O)C2)[nH+]c(N2CC[C@@H](CS(C)(=O)=O)C2)n1 ZINC001330157461 1074295104 /nfs/dbraw/zinc/29/51/04/1074295104.db2.gz PWUHPMDDAKHJEN-CHWSQXEVSA-N 1 2 432.572 -0.923 20 0 IBADLO CNc1nc(N2CC[C@H](CS(C)(=O)=O)C2)[nH+]c(N2CC[C@H](CS(C)(=O)=O)C2)n1 ZINC001330157462 1074295014 /nfs/dbraw/zinc/29/50/14/1074295014.db2.gz PWUHPMDDAKHJEN-STQMWFEESA-N 1 2 432.572 -0.923 20 0 IBADLO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)n(C)n1 ZINC001330235137 1074295131 /nfs/dbraw/zinc/29/51/31/1074295131.db2.gz USZACOKQOYBBAM-HNNXBMFYSA-N 1 2 426.543 -0.358 20 0 IBADLO Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)n(C)n1 ZINC001330235138 1074295078 /nfs/dbraw/zinc/29/50/78/1074295078.db2.gz USZACOKQOYBBAM-OAHLLOKOSA-N 1 2 426.543 -0.358 20 0 IBADLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001331750313 1074298382 /nfs/dbraw/zinc/29/83/82/1074298382.db2.gz WMVDNLMRCHYSKK-HKUYNNGSSA-N 1 2 445.582 -0.346 20 0 IBADLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001331750314 1074298414 /nfs/dbraw/zinc/29/84/14/1074298414.db2.gz WMVDNLMRCHYSKK-IEBWSBKVSA-N 1 2 445.582 -0.346 20 0 IBADLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001331750316 1074298431 /nfs/dbraw/zinc/29/84/31/1074298431.db2.gz WMVDNLMRCHYSKK-MJGOQNOKSA-N 1 2 445.582 -0.346 20 0 IBADLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001331750418 1074298447 /nfs/dbraw/zinc/29/84/47/1074298447.db2.gz WMVDNLMRCHYSKK-PKOBYXMFSA-N 1 2 445.582 -0.346 20 0 IBADLO CNc1nc(N2CCC(N3CCNC3=O)CC2)[nH+]c(N2CCC(N3CCNC3=O)CC2)n1 ZINC001332401563 1074299273 /nfs/dbraw/zinc/29/92/73/1074299273.db2.gz VGRRYGLDDFEALQ-UHFFFAOYSA-N 1 2 444.544 -0.677 20 0 IBADLO CCCS(=O)(=O)N1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001333430790 1074300318 /nfs/dbraw/zinc/30/03/18/1074300318.db2.gz NUKPAFDZYINPEG-UHFFFAOYSA-N 1 2 438.616 -0.001 20 0 IBADLO C[C@H](NC(=O)[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC001335060087 1074302064 /nfs/dbraw/zinc/30/20/64/1074302064.db2.gz IWTSXKSGEIVAMC-LKLRLBKWSA-N 1 2 430.596 -0.104 20 0 IBADLO C[C@H](NC(=O)[C@H](C)N1CC[NH+](CC[S@@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC001335060088 1074302030 /nfs/dbraw/zinc/30/20/30/1074302030.db2.gz IWTSXKSGEIVAMC-LSXCKUSFSA-N 1 2 430.596 -0.104 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC001335060089 1074302110 /nfs/dbraw/zinc/30/21/10/1074302110.db2.gz IWTSXKSGEIVAMC-SPPRZUHCSA-N 1 2 430.596 -0.104 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC001335060090 1074302002 /nfs/dbraw/zinc/30/20/02/1074302002.db2.gz IWTSXKSGEIVAMC-WDYLCZHCSA-N 1 2 430.596 -0.104 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001338929539 1074313086 /nfs/dbraw/zinc/31/30/86/1074313086.db2.gz UVJYSHMYSLGESE-UHFFFAOYSA-N 1 2 447.579 -0.239 20 0 IBADLO O=C(COC(=O)Cn1ncn2nccc2c1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001338961773 1074313185 /nfs/dbraw/zinc/31/31/85/1074313185.db2.gz UCWJPMPJHUYRPT-UHFFFAOYSA-N 1 2 426.433 -0.095 20 0 IBADLO CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C1 ZINC001338989271 1074313478 /nfs/dbraw/zinc/31/34/78/1074313478.db2.gz UKHAKWMKPHFDPP-DLBZAZTESA-N 1 2 432.525 -0.756 20 0 IBADLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C1 ZINC001338989272 1074313603 /nfs/dbraw/zinc/31/36/03/1074313603.db2.gz UKHAKWMKPHFDPP-IAGOWNOFSA-N 1 2 432.525 -0.756 20 0 IBADLO CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C1 ZINC001338989273 1074313575 /nfs/dbraw/zinc/31/35/75/1074313575.db2.gz UKHAKWMKPHFDPP-IRXDYDNUSA-N 1 2 432.525 -0.756 20 0 IBADLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C1 ZINC001338989274 1074313673 /nfs/dbraw/zinc/31/36/73/1074313673.db2.gz UKHAKWMKPHFDPP-SJORKVTESA-N 1 2 432.525 -0.756 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001339003608 1074313503 /nfs/dbraw/zinc/31/35/03/1074313503.db2.gz UOVMELMJBGOREI-KRWDZBQOSA-N 1 2 438.550 -0.294 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001339003608 1074313498 /nfs/dbraw/zinc/31/34/98/1074313498.db2.gz UOVMELMJBGOREI-KRWDZBQOSA-N 1 2 438.550 -0.294 20 0 IBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001339003609 1074314021 /nfs/dbraw/zinc/31/40/21/1074314021.db2.gz UOVMELMJBGOREI-QGZVFWFLSA-N 1 2 438.550 -0.294 20 0 IBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001339003609 1074314018 /nfs/dbraw/zinc/31/40/18/1074314018.db2.gz UOVMELMJBGOREI-QGZVFWFLSA-N 1 2 438.550 -0.294 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cn1C ZINC001339004067 1074313923 /nfs/dbraw/zinc/31/39/23/1074313923.db2.gz WAOBBXJQJRRWFY-HNNXBMFYSA-N 1 2 426.543 -0.805 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)cn1C ZINC001339004067 1074313918 /nfs/dbraw/zinc/31/39/18/1074313918.db2.gz WAOBBXJQJRRWFY-HNNXBMFYSA-N 1 2 426.543 -0.805 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cn1C ZINC001339004070 1074313987 /nfs/dbraw/zinc/31/39/87/1074313987.db2.gz WAOBBXJQJRRWFY-OAHLLOKOSA-N 1 2 426.543 -0.805 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)cn1C ZINC001339004070 1074313982 /nfs/dbraw/zinc/31/39/82/1074313982.db2.gz WAOBBXJQJRRWFY-OAHLLOKOSA-N 1 2 426.543 -0.805 20 0 IBADLO O=S(=O)(C1CCS(=O)(=O)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001339359025 1074315299 /nfs/dbraw/zinc/31/52/99/1074315299.db2.gz FKOWCTVRFYISLG-UHFFFAOYSA-N 1 2 445.567 -0.658 20 0 IBADLO O=S(=O)(C1CCS(=O)(=O)CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001339359025 1074315293 /nfs/dbraw/zinc/31/52/93/1074315293.db2.gz FKOWCTVRFYISLG-UHFFFAOYSA-N 1 2 445.567 -0.658 20 0 IBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001339495450 1074315817 /nfs/dbraw/zinc/31/58/17/1074315817.db2.gz IPYDSXQEIITHDS-UHFFFAOYSA-N 1 2 436.556 -0.822 20 0 IBADLO CC(C)S(=O)(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001340089803 1074317974 /nfs/dbraw/zinc/31/79/74/1074317974.db2.gz WMFOHLMTMJLBRA-HNNXBMFYSA-N 1 2 425.555 -0.228 20 0 IBADLO CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001340089804 1074317894 /nfs/dbraw/zinc/31/78/94/1074317894.db2.gz WMFOHLMTMJLBRA-OAHLLOKOSA-N 1 2 425.555 -0.228 20 0 IBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC001340749936 1074318684 /nfs/dbraw/zinc/31/86/84/1074318684.db2.gz CJGLIRZEHBJQHT-UHFFFAOYSA-N 1 2 440.522 -0.148 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)CC3)CC1 ZINC001341063649 1074320036 /nfs/dbraw/zinc/32/00/36/1074320036.db2.gz FYBHZHPEQWLZFI-CVEARBPZSA-N 1 2 431.541 -0.260 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)CC3)CC1 ZINC001341063747 1074319868 /nfs/dbraw/zinc/31/98/68/1074319868.db2.gz FYBHZHPEQWLZFI-HOTGVXAUSA-N 1 2 431.541 -0.260 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC3)CC1 ZINC001341063748 1074319850 /nfs/dbraw/zinc/31/98/50/1074319850.db2.gz FYBHZHPEQWLZFI-HZPDHXFCSA-N 1 2 431.541 -0.260 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC3)CC1 ZINC001341063749 1074319956 /nfs/dbraw/zinc/31/99/56/1074319956.db2.gz FYBHZHPEQWLZFI-JKSUJKDBSA-N 1 2 431.541 -0.260 20 0 IBADLO C[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)N1C(=O)CCC1=O ZINC001341066040 1074319925 /nfs/dbraw/zinc/31/99/25/1074319925.db2.gz YPFPDZYDCGCLAD-CABCVRRESA-N 1 2 430.509 -0.513 20 0 IBADLO C[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)N1C(=O)CCC1=O ZINC001341066041 1074319938 /nfs/dbraw/zinc/31/99/38/1074319938.db2.gz YPFPDZYDCGCLAD-GJZGRUSLSA-N 1 2 430.509 -0.513 20 0 IBADLO C[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)N1C(=O)CCC1=O ZINC001341066042 1074319980 /nfs/dbraw/zinc/31/99/80/1074319980.db2.gz YPFPDZYDCGCLAD-HUUCEWRRSA-N 1 2 430.509 -0.513 20 0 IBADLO C[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)N1C(=O)CCC1=O ZINC001341066043 1074320025 /nfs/dbraw/zinc/32/00/25/1074320025.db2.gz YPFPDZYDCGCLAD-LSDHHAIUSA-N 1 2 430.509 -0.513 20 0 IBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001341227413 1074320330 /nfs/dbraw/zinc/32/03/30/1074320330.db2.gz JBAWNTYBESOQQG-HNNXBMFYSA-N 1 2 438.510 -0.247 20 0 IBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001341227413 1074320321 /nfs/dbraw/zinc/32/03/21/1074320321.db2.gz JBAWNTYBESOQQG-HNNXBMFYSA-N 1 2 438.510 -0.247 20 0 IBADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001341759304 1074321493 /nfs/dbraw/zinc/32/14/93/1074321493.db2.gz FVNHTUIBJLLYBC-MSOLQXFVSA-N 1 2 443.591 -0.307 20 0 IBADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001341759305 1074321513 /nfs/dbraw/zinc/32/15/13/1074321513.db2.gz FVNHTUIBJLLYBC-QZTJIDSGSA-N 1 2 443.591 -0.307 20 0 IBADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001341759306 1074321605 /nfs/dbraw/zinc/32/16/05/1074321605.db2.gz FVNHTUIBJLLYBC-ROUUACIJSA-N 1 2 443.591 -0.307 20 0 IBADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001341759307 1074321432 /nfs/dbraw/zinc/32/14/32/1074321432.db2.gz FVNHTUIBJLLYBC-ZWKOTPCHSA-N 1 2 443.591 -0.307 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C2 ZINC001342861847 1074323229 /nfs/dbraw/zinc/32/32/29/1074323229.db2.gz CZJSFZWJPMOODQ-JTQLQIEISA-N 1 2 426.271 -0.118 20 0 IBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C2 ZINC001342861872 1074323239 /nfs/dbraw/zinc/32/32/39/1074323239.db2.gz CZJSFZWJPMOODQ-SNVBAGLBSA-N 1 2 426.271 -0.118 20 0 IBADLO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001343070707 1074323718 /nfs/dbraw/zinc/32/37/18/1074323718.db2.gz OGQOGWBNZGYKRW-KBPBESRZSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001343070707 1074323714 /nfs/dbraw/zinc/32/37/14/1074323714.db2.gz OGQOGWBNZGYKRW-KBPBESRZSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001343070713 1074323520 /nfs/dbraw/zinc/32/35/20/1074323520.db2.gz OGQOGWBNZGYKRW-KGLIPLIRSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001343070713 1074323512 /nfs/dbraw/zinc/32/35/12/1074323512.db2.gz OGQOGWBNZGYKRW-KGLIPLIRSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001343070721 1074323600 /nfs/dbraw/zinc/32/36/00/1074323600.db2.gz OGQOGWBNZGYKRW-UONOGXRCSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001343070721 1074323595 /nfs/dbraw/zinc/32/35/95/1074323595.db2.gz OGQOGWBNZGYKRW-UONOGXRCSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001343070727 1074323686 /nfs/dbraw/zinc/32/36/86/1074323686.db2.gz OGQOGWBNZGYKRW-ZIAGYGMSSA-N 1 2 440.488 -0.682 20 0 IBADLO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001343070727 1074323679 /nfs/dbraw/zinc/32/36/79/1074323679.db2.gz OGQOGWBNZGYKRW-ZIAGYGMSSA-N 1 2 440.488 -0.682 20 0 IBADLO C[C@H]1CCCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001343429950 1074324492 /nfs/dbraw/zinc/32/44/92/1074324492.db2.gz VHGNPOIKECDESD-KRWDZBQOSA-N 1 2 444.602 -0.546 20 0 IBADLO C[C@@H]1CCCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001343429953 1074324375 /nfs/dbraw/zinc/32/43/75/1074324375.db2.gz VHGNPOIKECDESD-QGZVFWFLSA-N 1 2 444.602 -0.546 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCn2cnccc2=O)CC3)CC1 ZINC001343973591 1074326706 /nfs/dbraw/zinc/32/67/06/1074326706.db2.gz XTYCFUFSBKTDRC-INIZCTEOSA-N 1 2 427.509 -0.404 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCn2cnccc2=O)CC3)CC1 ZINC001343973592 1074326809 /nfs/dbraw/zinc/32/68/09/1074326809.db2.gz XTYCFUFSBKTDRC-MRXNPFEDSA-N 1 2 427.509 -0.404 20 0 IBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001344487277 1074327980 /nfs/dbraw/zinc/32/79/80/1074327980.db2.gz KAYNDDUHHWCJOR-UHFFFAOYSA-N 1 2 440.508 -0.063 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCS(C)(=O)=O)CC3)CC1 ZINC001344743949 1074328988 /nfs/dbraw/zinc/32/89/88/1074328988.db2.gz KKOYEMOZRWKVMU-HNNXBMFYSA-N 1 2 425.555 -0.226 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCS(C)(=O)=O)CC3)CC1 ZINC001344743950 1074329100 /nfs/dbraw/zinc/32/91/00/1074329100.db2.gz KKOYEMOZRWKVMU-OAHLLOKOSA-N 1 2 425.555 -0.226 20 0 IBADLO CCCS(=O)(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001345462909 1074329469 /nfs/dbraw/zinc/32/94/69/1074329469.db2.gz GXXKPXNTECFWFG-HNNXBMFYSA-N 1 2 425.555 -0.226 20 0 IBADLO CCCS(=O)(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001345462912 1074329535 /nfs/dbraw/zinc/32/95/35/1074329535.db2.gz GXXKPXNTECFWFG-OAHLLOKOSA-N 1 2 425.555 -0.226 20 0 IBADLO CN(CCNS(C)(=O)=O)c1nc(N(C)CCNS(C)(=O)=O)c2c([nH+]1)CCS2 ZINC001346043159 1074330315 /nfs/dbraw/zinc/33/03/15/1074330315.db2.gz ISAIUOOBMYJBBD-UHFFFAOYSA-N 1 2 438.601 -0.904 20 0 IBADLO C[N@@H+](CC(F)F)C1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001346070523 1074330336 /nfs/dbraw/zinc/33/03/36/1074330336.db2.gz DQOKAFGVRMXBBT-XKLVTHTNSA-N 1 2 428.440 -0.397 20 0 IBADLO C[N@H+](CC(F)F)C1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001346070523 1074330330 /nfs/dbraw/zinc/33/03/30/1074330330.db2.gz DQOKAFGVRMXBBT-XKLVTHTNSA-N 1 2 428.440 -0.397 20 0 IBADLO CCCNC(=O)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001346081500 1074330151 /nfs/dbraw/zinc/33/01/51/1074330151.db2.gz FSEMQEUKUBPWNH-HNNXBMFYSA-N 1 2 426.543 -0.253 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC001346114063 1074330565 /nfs/dbraw/zinc/33/05/65/1074330565.db2.gz SLSSZRUJGZJEQT-UHFFFAOYSA-N 1 2 436.531 -0.219 20 0 IBADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC001347655030 1074332087 /nfs/dbraw/zinc/33/20/87/1074332087.db2.gz RGXQYLSUFHJNKZ-UHFFFAOYSA-N 1 2 439.538 -0.444 20 0 IBADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC001347655030 1074332081 /nfs/dbraw/zinc/33/20/81/1074332081.db2.gz RGXQYLSUFHJNKZ-UHFFFAOYSA-N 1 2 439.538 -0.444 20 0 IBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC001350452500 1074333627 /nfs/dbraw/zinc/33/36/27/1074333627.db2.gz MYBTULMOXDUPRM-CVEARBPZSA-N 1 2 439.538 -0.537 20 0 IBADLO COC(=O)[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC001350453186 1074333648 /nfs/dbraw/zinc/33/36/48/1074333648.db2.gz PNEHFDXJIUKYMK-CABCVRRESA-N 1 2 426.495 -0.630 20 0 IBADLO O=C(CN1CCCCS1(=O)=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001350453953 1074333830 /nfs/dbraw/zinc/33/38/30/1074333830.db2.gz SDRJAZOUZYTZIJ-UHFFFAOYSA-N 1 2 445.567 -0.925 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2nncn2CC1 ZINC001350454771 1074334075 /nfs/dbraw/zinc/33/40/75/1074334075.db2.gz XCROXSJYKKLLHF-INIZCTEOSA-N 1 2 433.538 -0.106 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2nncn2CC1 ZINC001350454774 1074333819 /nfs/dbraw/zinc/33/38/19/1074333819.db2.gz XCROXSJYKKLLHF-MRXNPFEDSA-N 1 2 433.538 -0.106 20 0 IBADLO Cn1nc(C2CC2)nc1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001350454778 1074334031 /nfs/dbraw/zinc/33/40/31/1074334031.db2.gz XEBPXZOCJLPTPF-UHFFFAOYSA-N 1 2 433.538 -0.102 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001352993184 1074337713 /nfs/dbraw/zinc/33/77/13/1074337713.db2.gz WJTNWJSOCNLHHM-QAPCUYQASA-N 1 2 440.570 -0.028 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001352993184 1074337703 /nfs/dbraw/zinc/33/77/03/1074337703.db2.gz WJTNWJSOCNLHHM-QAPCUYQASA-N 1 2 440.570 -0.028 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001352993186 1074337674 /nfs/dbraw/zinc/33/76/74/1074337674.db2.gz WJTNWJSOCNLHHM-YJBOKZPZSA-N 1 2 440.570 -0.028 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001352993186 1074337666 /nfs/dbraw/zinc/33/76/66/1074337666.db2.gz WJTNWJSOCNLHHM-YJBOKZPZSA-N 1 2 440.570 -0.028 20 0 IBADLO O=C(COCc1cc[nH]c(=O)c1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001353768649 1074340646 /nfs/dbraw/zinc/34/06/46/1074340646.db2.gz CZXONXYAQXHUPF-UHFFFAOYSA-N 1 2 435.506 -0.033 20 0 IBADLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)NCCN1CCOCC1 ZINC001355062363 1074349193 /nfs/dbraw/zinc/34/91/93/1074349193.db2.gz YXHAIIRHCWICTM-YRPNKDGESA-N 1 2 440.585 -0.155 20 0 IBADLO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)NCCN1CCOCC1 ZINC001355062365 1074349256 /nfs/dbraw/zinc/34/92/56/1074349256.db2.gz YXHAIIRHCWICTM-YSTOQKLRSA-N 1 2 440.585 -0.155 20 0 IBADLO CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)NCCN1CCOCC1 ZINC001355062367 1074349099 /nfs/dbraw/zinc/34/90/99/1074349099.db2.gz YXHAIIRHCWICTM-ZGXWSNOMSA-N 1 2 440.585 -0.155 20 0 IBADLO CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)NCCN1CCOCC1 ZINC001355062369 1074349179 /nfs/dbraw/zinc/34/91/79/1074349179.db2.gz YXHAIIRHCWICTM-ZRNYENFQSA-N 1 2 440.585 -0.155 20 0 IBADLO CS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)co1 ZINC001355133976 1074349154 /nfs/dbraw/zinc/34/91/54/1074349154.db2.gz CDDOYPTYEINOSR-UHFFFAOYSA-N 1 2 442.519 -0.040 20 0 IBADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001356326288 1074350517 /nfs/dbraw/zinc/35/05/17/1074350517.db2.gz FLNWZEJDKZZKQR-IRXDYDNUSA-N 1 2 435.550 -0.645 20 0 IBADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001356326291 1074351334 /nfs/dbraw/zinc/35/13/34/1074351334.db2.gz FLNWZEJDKZZKQR-SJORKVTESA-N 1 2 435.550 -0.645 20 0 IBADLO C[C@@]1(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS(=O)(=O)N1 ZINC001356506264 1074351186 /nfs/dbraw/zinc/35/11/86/1074351186.db2.gz HARHXFDSSJFMTN-KRWDZBQOSA-N 1 2 445.567 -0.879 20 0 IBADLO C[C@]1(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS(=O)(=O)N1 ZINC001356506265 1074351257 /nfs/dbraw/zinc/35/12/57/1074351257.db2.gz HARHXFDSSJFMTN-QGZVFWFLSA-N 1 2 445.567 -0.879 20 0 IBADLO CCOC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC001357697648 1074354216 /nfs/dbraw/zinc/35/42/16/1074354216.db2.gz RVMOPDIDXWREDW-UHFFFAOYSA-N 1 2 445.586 -0.071 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001358450718 1074354008 /nfs/dbraw/zinc/35/40/08/1074354008.db2.gz FHVQCNZXASGXRE-INIZCTEOSA-N 1 2 448.549 -0.312 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001358450719 1074354026 /nfs/dbraw/zinc/35/40/26/1074354026.db2.gz FHVQCNZXASGXRE-MRXNPFEDSA-N 1 2 448.549 -0.312 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001359400378 1074372838 /nfs/dbraw/zinc/37/28/38/1074372838.db2.gz JROXUMNWMIQZPT-UHFFFAOYSA-N 1 2 441.540 -0.429 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC2)CC1 ZINC001359400698 1074372711 /nfs/dbraw/zinc/37/27/11/1074372711.db2.gz UNASJBODZYMZJS-AWEZNQCLSA-N 1 2 427.575 -0.101 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC2)CC1 ZINC001359400699 1074372990 /nfs/dbraw/zinc/37/29/90/1074372990.db2.gz UNASJBODZYMZJS-CQSZACIVSA-N 1 2 427.575 -0.101 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001359401426 1074372933 /nfs/dbraw/zinc/37/29/33/1074372933.db2.gz RHVGNOQRNGJFQI-GOSISDBHSA-N 1 2 446.556 -0.548 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001359401427 1074372772 /nfs/dbraw/zinc/37/27/72/1074372772.db2.gz RHVGNOQRNGJFQI-SFHVURJKSA-N 1 2 446.556 -0.548 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001359401594 1074372669 /nfs/dbraw/zinc/37/26/69/1074372669.db2.gz WQMBUMOHJDIRGW-HNNXBMFYSA-N 1 2 439.586 -0.210 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2CCNC(=O)C2)CC1 ZINC001359401879 1074372907 /nfs/dbraw/zinc/37/29/07/1074372907.db2.gz HDRHZSXVRKOVDG-UHFFFAOYSA-N 1 2 441.536 0.000 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001359402246 1074372946 /nfs/dbraw/zinc/37/29/46/1074372946.db2.gz SRUVVKHMQFGZCH-UHFFFAOYSA-N 1 2 433.557 -0.135 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001359402441 1074372860 /nfs/dbraw/zinc/37/28/60/1074372860.db2.gz ASPLFUYKIINICB-UHFFFAOYSA-N 1 2 448.616 -0.050 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Nc3ccn(C)n3)nnc2[C@@H](C)NS(C)(=O)=O)CC1 ZINC001359402801 1074372917 /nfs/dbraw/zinc/37/29/17/1074372917.db2.gz NIPMVHKZYZALJV-CYBMUJFWSA-N 1 2 439.546 -0.471 20 0 IBADLO CC(=O)N1CC[NH+](CCn2c(Nc3ccn(C)n3)nnc2[C@H](C)NS(C)(=O)=O)CC1 ZINC001359402802 1074372971 /nfs/dbraw/zinc/37/29/71/1074372971.db2.gz NIPMVHKZYZALJV-ZDUSSCGKSA-N 1 2 439.546 -0.471 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001359452367 1074376914 /nfs/dbraw/zinc/37/69/14/1074376914.db2.gz LHAXVWPKMURWMT-AEFFLSMTSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001359452368 1074376693 /nfs/dbraw/zinc/37/66/93/1074376693.db2.gz LHAXVWPKMURWMT-FUHWJXTLSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001359452369 1074376860 /nfs/dbraw/zinc/37/68/60/1074376860.db2.gz LHAXVWPKMURWMT-SJLPKXTDSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001359452370 1074376821 /nfs/dbraw/zinc/37/68/21/1074376821.db2.gz LHAXVWPKMURWMT-WMZOPIPTSA-N 1 2 449.556 -0.538 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001360152571 1074382357 /nfs/dbraw/zinc/38/23/57/1074382357.db2.gz PXMRLKYYJWEULQ-HNNXBMFYSA-N 1 2 448.615 -0.398 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001360152572 1074382242 /nfs/dbraw/zinc/38/22/42/1074382242.db2.gz PXMRLKYYJWEULQ-OAHLLOKOSA-N 1 2 448.615 -0.398 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360153567 1074382463 /nfs/dbraw/zinc/38/24/63/1074382463.db2.gz ZPAMKXYZDIMYNA-IBGZPJMESA-N 1 2 440.570 -0.520 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001360153568 1074382380 /nfs/dbraw/zinc/38/23/80/1074382380.db2.gz ZPAMKXYZDIMYNA-LJQANCHMSA-N 1 2 440.570 -0.520 20 0 IBADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001360180150 1074383628 /nfs/dbraw/zinc/38/36/28/1074383628.db2.gz KFELEDYORSOHFP-AWEZNQCLSA-N 1 2 436.517 -0.827 20 0 IBADLO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001360237968 1074385773 /nfs/dbraw/zinc/38/57/73/1074385773.db2.gz SWUMLVNRKOGHCG-UHFFFAOYSA-N 1 2 442.524 -0.025 20 0 IBADLO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001360290135 1074388425 /nfs/dbraw/zinc/38/84/25/1074388425.db2.gz FLJSSFIBIZDDLC-UHFFFAOYSA-N 1 2 443.556 -0.052 20 0 IBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360645275 1074392700 /nfs/dbraw/zinc/39/27/00/1074392700.db2.gz HJKPQPAKZJOGCL-IHRRRGAJSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360645275 1074392689 /nfs/dbraw/zinc/39/26/89/1074392689.db2.gz HJKPQPAKZJOGCL-IHRRRGAJSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001360645276 1074392955 /nfs/dbraw/zinc/39/29/55/1074392955.db2.gz HJKPQPAKZJOGCL-MCIONIFRSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360645276 1074392948 /nfs/dbraw/zinc/39/29/48/1074392948.db2.gz HJKPQPAKZJOGCL-MCIONIFRSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001360645277 1074392790 /nfs/dbraw/zinc/39/27/90/1074392790.db2.gz HJKPQPAKZJOGCL-MJBXVCDLSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360645277 1074392782 /nfs/dbraw/zinc/39/27/82/1074392782.db2.gz HJKPQPAKZJOGCL-MJBXVCDLSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360645278 1074392936 /nfs/dbraw/zinc/39/29/36/1074392936.db2.gz HJKPQPAKZJOGCL-RDBSUJKOSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360645278 1074392928 /nfs/dbraw/zinc/39/29/28/1074392928.db2.gz HJKPQPAKZJOGCL-RDBSUJKOSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360646154 1074392986 /nfs/dbraw/zinc/39/29/86/1074392986.db2.gz NKKCJFVVYLKURZ-IHRRRGAJSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360646156 1074392763 /nfs/dbraw/zinc/39/27/63/1074392763.db2.gz NKKCJFVVYLKURZ-MCIONIFRSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC001360646158 1074392903 /nfs/dbraw/zinc/39/29/03/1074392903.db2.gz NKKCJFVVYLKURZ-MJBXVCDLSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360646160 1074392864 /nfs/dbraw/zinc/39/28/64/1074392864.db2.gz NKKCJFVVYLKURZ-RDBSUJKOSA-N 1 2 431.563 -0.691 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360651618 1074393479 /nfs/dbraw/zinc/39/34/79/1074393479.db2.gz SJXCRMQJGSADKB-CABCVRRESA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001360651618 1074393476 /nfs/dbraw/zinc/39/34/76/1074393476.db2.gz SJXCRMQJGSADKB-CABCVRRESA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360651619 1074393332 /nfs/dbraw/zinc/39/33/32/1074393332.db2.gz SJXCRMQJGSADKB-GJZGRUSLSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001360651619 1074393326 /nfs/dbraw/zinc/39/33/26/1074393326.db2.gz SJXCRMQJGSADKB-GJZGRUSLSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360651620 1074393448 /nfs/dbraw/zinc/39/34/48/1074393448.db2.gz SJXCRMQJGSADKB-HUUCEWRRSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001360651620 1074393443 /nfs/dbraw/zinc/39/34/43/1074393443.db2.gz SJXCRMQJGSADKB-HUUCEWRRSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360651621 1074393490 /nfs/dbraw/zinc/39/34/90/1074393490.db2.gz SJXCRMQJGSADKB-LSDHHAIUSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001360651621 1074393486 /nfs/dbraw/zinc/39/34/86/1074393486.db2.gz SJXCRMQJGSADKB-LSDHHAIUSA-N 1 2 446.599 -0.227 20 0 IBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001360655376 1074393968 /nfs/dbraw/zinc/39/39/68/1074393968.db2.gz GRENUHNPUXFZHG-CABCVRRESA-N 1 2 440.574 -0.021 20 0 IBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001360655377 1074393783 /nfs/dbraw/zinc/39/37/83/1074393783.db2.gz GRENUHNPUXFZHG-GJZGRUSLSA-N 1 2 440.574 -0.021 20 0 IBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001360655378 1074393746 /nfs/dbraw/zinc/39/37/46/1074393746.db2.gz GRENUHNPUXFZHG-HUUCEWRRSA-N 1 2 440.574 -0.021 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360655379 1074393835 /nfs/dbraw/zinc/39/38/35/1074393835.db2.gz GRENUHNPUXFZHG-LSDHHAIUSA-N 1 2 440.574 -0.021 20 0 IBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001360661410 1074394425 /nfs/dbraw/zinc/39/44/25/1074394425.db2.gz ANZNVTUNHQYYNQ-CVEARBPZSA-N 1 2 440.574 -0.058 20 0 IBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001360661411 1074394494 /nfs/dbraw/zinc/39/44/94/1074394494.db2.gz ANZNVTUNHQYYNQ-HOTGVXAUSA-N 1 2 440.574 -0.058 20 0 IBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001360661412 1074394289 /nfs/dbraw/zinc/39/42/89/1074394289.db2.gz ANZNVTUNHQYYNQ-HZPDHXFCSA-N 1 2 440.574 -0.058 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360661413 1074394393 /nfs/dbraw/zinc/39/43/93/1074394393.db2.gz ANZNVTUNHQYYNQ-JKSUJKDBSA-N 1 2 440.574 -0.058 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cnn(C)c1 ZINC001360662070 1074394459 /nfs/dbraw/zinc/39/44/59/1074394459.db2.gz IUXKMWJDOYDQPG-AWEZNQCLSA-N 1 2 426.547 -0.562 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cnn(C)c1 ZINC001360662071 1074394508 /nfs/dbraw/zinc/39/45/08/1074394508.db2.gz IUXKMWJDOYDQPG-CQSZACIVSA-N 1 2 426.547 -0.562 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(C)COCCO1 ZINC001360662160 1074394409 /nfs/dbraw/zinc/39/44/09/1074394409.db2.gz JIPTZEOANFHUPC-CRAIPNDOSA-N 1 2 446.574 -0.538 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(C)COCCO1 ZINC001360662164 1074394349 /nfs/dbraw/zinc/39/43/49/1074394349.db2.gz JIPTZEOANFHUPC-MAUKXSAKSA-N 1 2 446.574 -0.538 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(C)COCCO1 ZINC001360662166 1074394329 /nfs/dbraw/zinc/39/43/29/1074394329.db2.gz JIPTZEOANFHUPC-QAPCUYQASA-N 1 2 446.574 -0.538 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(C)COCCO1 ZINC001360662168 1074394378 /nfs/dbraw/zinc/39/43/78/1074394378.db2.gz JIPTZEOANFHUPC-YJBOKZPZSA-N 1 2 446.574 -0.538 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1COCCO1 ZINC001360662848 1074394798 /nfs/dbraw/zinc/39/47/98/1074394798.db2.gz UNNGGFRBQDYKCF-HUUCEWRRSA-N 1 2 432.547 -0.928 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1COCCO1 ZINC001360662849 1074394762 /nfs/dbraw/zinc/39/47/62/1074394762.db2.gz UNNGGFRBQDYKCF-LSDHHAIUSA-N 1 2 432.547 -0.928 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001360704276 1074398092 /nfs/dbraw/zinc/39/80/92/1074398092.db2.gz YLIBDDLBPZTKLM-AWEZNQCLSA-N 1 2 448.615 -0.004 20 0 IBADLO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001360704279 1074398045 /nfs/dbraw/zinc/39/80/45/1074398045.db2.gz YLIBDDLBPZTKLM-CQSZACIVSA-N 1 2 448.615 -0.004 20 0 IBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360718492 1074401487 /nfs/dbraw/zinc/40/14/87/1074401487.db2.gz NPCGDOASVIVFJI-AEGPPILISA-N 1 2 437.526 -0.041 20 0 IBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360718493 1074401636 /nfs/dbraw/zinc/40/16/36/1074401636.db2.gz NPCGDOASVIVFJI-YUELXQCFSA-N 1 2 437.526 -0.041 20 0 IBADLO CC(C)(CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[NH+]1CCOCC1 ZINC001440536040 1074421613 /nfs/dbraw/zinc/42/16/13/1074421613.db2.gz RWYGPRZHYHTUJH-UHFFFAOYSA-N 1 2 432.930 -0.056 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001440788767 1074423443 /nfs/dbraw/zinc/42/34/43/1074423443.db2.gz VPUNHEIEGBTXDC-INIZCTEOSA-N 1 2 446.957 -0.350 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001440788767 1074423442 /nfs/dbraw/zinc/42/34/42/1074423442.db2.gz VPUNHEIEGBTXDC-INIZCTEOSA-N 1 2 446.957 -0.350 20 0 IBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001440788772 1074423474 /nfs/dbraw/zinc/42/34/74/1074423474.db2.gz VPUNHEIEGBTXDC-MRXNPFEDSA-N 1 2 446.957 -0.350 20 0 IBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001440788772 1074423471 /nfs/dbraw/zinc/42/34/71/1074423471.db2.gz VPUNHEIEGBTXDC-MRXNPFEDSA-N 1 2 446.957 -0.350 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001440899339 1074423402 /nfs/dbraw/zinc/42/34/02/1074423402.db2.gz YOXGJQOPGXZSIK-INIZCTEOSA-N 1 2 427.440 -0.058 20 0 IBADLO CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441231916 1074424574 /nfs/dbraw/zinc/42/45/74/1074424574.db2.gz AAXJPIATGZCDAI-AWEZNQCLSA-N 1 2 429.509 -0.201 20 0 IBADLO Cc1nnnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001441232728 1074424540 /nfs/dbraw/zinc/42/45/40/1074424540.db2.gz BCFHMPOKBRAZSZ-UHFFFAOYSA-N 1 2 434.526 -0.779 20 0 IBADLO Cc1cn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1C(F)(F)F ZINC001441237604 1074424855 /nfs/dbraw/zinc/42/48/55/1074424855.db2.gz MLSBPQUIZODRED-UHFFFAOYSA-N 1 2 438.476 -0.153 20 0 IBADLO CCCOc1ccnc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001441239488 1074425510 /nfs/dbraw/zinc/42/55/10/1074425510.db2.gz RHQQETKCAMYJLW-UHFFFAOYSA-N 1 2 426.543 -0.556 20 0 IBADLO Cc1c(Br)cnn1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441239532 1074425487 /nfs/dbraw/zinc/42/54/87/1074425487.db2.gz RPIMHLUQJOGASQ-UHFFFAOYSA-N 1 2 449.375 -0.410 20 0 IBADLO CCOC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441241434 1074425463 /nfs/dbraw/zinc/42/54/63/1074425463.db2.gz ZHORXRMJABUKFA-AWEZNQCLSA-N 1 2 435.572 -0.846 20 0 IBADLO CCOC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441241436 1074425537 /nfs/dbraw/zinc/42/55/37/1074425537.db2.gz ZHORXRMJABUKFA-CQSZACIVSA-N 1 2 435.572 -0.846 20 0 IBADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C[NH+]1CCOCC1 ZINC001441388785 1074426798 /nfs/dbraw/zinc/42/67/98/1074426798.db2.gz HHXGKUDVLIPVLZ-OWBHPGMISA-N 1 2 426.495 -0.510 20 0 IBADLO C/C(=C\C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C[NH+]1CCOCC1 ZINC001441388795 1074426540 /nfs/dbraw/zinc/42/65/40/1074426540.db2.gz HHXGKUDVLIPVLZ-WYMLVPIESA-N 1 2 426.495 -0.510 20 0 IBADLO C/C(=C\C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC001441497819 1074427881 /nfs/dbraw/zinc/42/78/81/1074427881.db2.gz JLWLEHVXYZTTDK-FBMGVBCBSA-N 1 2 437.566 -0.072 20 0 IBADLO C/C(=C/C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC001441497827 1074428049 /nfs/dbraw/zinc/42/80/49/1074428049.db2.gz JLWLEHVXYZTTDK-VLGSPTGOSA-N 1 2 437.566 -0.072 20 0 IBADLO CC1=C(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)S(=O)(=O)CCO1 ZINC001441509033 1074428073 /nfs/dbraw/zinc/42/80/73/1074428073.db2.gz OKHRJOYNRDQJSX-UHFFFAOYSA-N 1 2 444.535 -0.674 20 0 IBADLO CN1C(=O)CS/C1=C\C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001441534058 1074427965 /nfs/dbraw/zinc/42/79/65/1074427965.db2.gz YNHUJUKAIVTFOL-ATVHPVEESA-N 1 2 425.536 -0.304 20 0 IBADLO CN1C(=O)CS/C1=C/C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001441534065 1074427979 /nfs/dbraw/zinc/42/79/79/1074427979.db2.gz YNHUJUKAIVTFOL-SFQUDFHCSA-N 1 2 425.536 -0.304 20 0 IBADLO COC(=O)c1cccn(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC001442593843 1074430783 /nfs/dbraw/zinc/43/07/83/1074430783.db2.gz BALYXEVZZQBCLD-UHFFFAOYSA-N 1 2 427.461 -0.115 20 0 IBADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCO1 ZINC001442697622 1074430763 /nfs/dbraw/zinc/43/07/63/1074430763.db2.gz PCGMHCTXZWNFHM-UHFFFAOYSA-N 1 2 432.930 -0.056 20 0 IBADLO CC1(C)C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCO1 ZINC001442697622 1074430757 /nfs/dbraw/zinc/43/07/57/1074430757.db2.gz PCGMHCTXZWNFHM-UHFFFAOYSA-N 1 2 432.930 -0.056 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CC(=O)N(C)C3=O)cc2)CC1 ZINC001443042011 1074431189 /nfs/dbraw/zinc/43/11/89/1074431189.db2.gz FXAPQCFHJHARJG-UHFFFAOYSA-N 1 2 445.520 -0.218 20 0 IBADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001443308843 1074432460 /nfs/dbraw/zinc/43/24/60/1074432460.db2.gz GGDCIANCHGSKPK-UHFFFAOYSA-N 1 2 432.930 -0.056 20 0 IBADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001443308843 1074432456 /nfs/dbraw/zinc/43/24/56/1074432456.db2.gz GGDCIANCHGSKPK-UHFFFAOYSA-N 1 2 432.930 -0.056 20 0 IBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)cc1 ZINC001443411881 1074432979 /nfs/dbraw/zinc/43/29/79/1074432979.db2.gz SYSUWOUVUGPIMT-UHFFFAOYSA-N 1 2 431.518 -0.010 20 0 IBADLO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001443464036 1074433481 /nfs/dbraw/zinc/43/34/81/1074433481.db2.gz OVYWHSQXCLCAGN-AWEZNQCLSA-N 1 2 432.568 -0.880 20 0 IBADLO C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001443464297 1074433400 /nfs/dbraw/zinc/43/34/00/1074433400.db2.gz OVYWHSQXCLCAGN-CQSZACIVSA-N 1 2 432.568 -0.880 20 0 IBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001443474861 1074433451 /nfs/dbraw/zinc/43/34/51/1074433451.db2.gz BEUPMKCCDXUWDT-UHFFFAOYSA-N 1 2 426.543 -0.467 20 0 IBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001443474861 1074433449 /nfs/dbraw/zinc/43/34/49/1074433449.db2.gz BEUPMKCCDXUWDT-UHFFFAOYSA-N 1 2 426.543 -0.467 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001443517884 1074434181 /nfs/dbraw/zinc/43/41/81/1074434181.db2.gz TXBRHKDMUFOBGH-KRWDZBQOSA-N 1 2 429.514 -0.530 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001443520274 1074434100 /nfs/dbraw/zinc/43/41/00/1074434100.db2.gz YZADEGFYJJCNDR-AWEZNQCLSA-N 1 2 447.579 -0.416 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC001443520285 1074434013 /nfs/dbraw/zinc/43/40/13/1074434013.db2.gz YZADEGFYJJCNDR-CQSZACIVSA-N 1 2 447.579 -0.416 20 0 IBADLO NS(=O)(=O)CCCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001444627400 1074437204 /nfs/dbraw/zinc/43/72/04/1074437204.db2.gz SIFOUCSZCBJJKG-UHFFFAOYSA-N 1 2 426.543 -0.189 20 0 IBADLO NS(=O)(=O)CCCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001444627400 1074437199 /nfs/dbraw/zinc/43/71/99/1074437199.db2.gz SIFOUCSZCBJJKG-UHFFFAOYSA-N 1 2 426.543 -0.189 20 0 IBADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444634654 1074437787 /nfs/dbraw/zinc/43/77/87/1074437787.db2.gz HFGNVQHBXDOUMW-CVEARBPZSA-N 1 2 428.530 -0.035 20 0 IBADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444634659 1074437624 /nfs/dbraw/zinc/43/76/24/1074437624.db2.gz HFGNVQHBXDOUMW-HOTGVXAUSA-N 1 2 428.530 -0.035 20 0 IBADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444634666 1074437792 /nfs/dbraw/zinc/43/77/92/1074437792.db2.gz HFGNVQHBXDOUMW-HZPDHXFCSA-N 1 2 428.530 -0.035 20 0 IBADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444634673 1074437680 /nfs/dbraw/zinc/43/76/80/1074437680.db2.gz HFGNVQHBXDOUMW-JKSUJKDBSA-N 1 2 428.530 -0.035 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001444636868 1074438477 /nfs/dbraw/zinc/43/84/77/1074438477.db2.gz JJPWZJIUTCRDSL-AGIUHOORSA-N 1 2 427.445 -0.741 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001444636881 1074438297 /nfs/dbraw/zinc/43/82/97/1074438297.db2.gz JJPWZJIUTCRDSL-FRRDWIJNSA-N 1 2 427.445 -0.741 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001444636892 1074438310 /nfs/dbraw/zinc/43/83/10/1074438310.db2.gz JJPWZJIUTCRDSL-JHJVBQTASA-N 1 2 427.445 -0.741 20 0 IBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001444636898 1074438387 /nfs/dbraw/zinc/43/83/87/1074438387.db2.gz JJPWZJIUTCRDSL-UPJWGTAASA-N 1 2 427.445 -0.741 20 0 IBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001444637164 1074438453 /nfs/dbraw/zinc/43/84/53/1074438453.db2.gz JWYPDXGOYCLQDZ-BBWFWOEESA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001444637169 1074438508 /nfs/dbraw/zinc/43/85/08/1074438508.db2.gz JWYPDXGOYCLQDZ-GVDBMIGSSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001444637174 1074438406 /nfs/dbraw/zinc/43/84/06/1074438406.db2.gz JWYPDXGOYCLQDZ-ULQDDVLXSA-N 1 2 442.557 -0.100 20 0 IBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001444637179 1074438364 /nfs/dbraw/zinc/43/83/64/1074438364.db2.gz JWYPDXGOYCLQDZ-YESZJQIVSA-N 1 2 442.557 -0.100 20 0 IBADLO O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444642138 1074438434 /nfs/dbraw/zinc/43/84/34/1074438434.db2.gz RWPWYHURDIRVEC-CVEARBPZSA-N 1 2 437.518 -0.339 20 0 IBADLO O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444642141 1074438959 /nfs/dbraw/zinc/43/89/59/1074438959.db2.gz RWPWYHURDIRVEC-HOTGVXAUSA-N 1 2 437.518 -0.339 20 0 IBADLO O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444642146 1074438864 /nfs/dbraw/zinc/43/88/64/1074438864.db2.gz RWPWYHURDIRVEC-HZPDHXFCSA-N 1 2 437.518 -0.339 20 0 IBADLO O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444642150 1074438994 /nfs/dbraw/zinc/43/89/94/1074438994.db2.gz RWPWYHURDIRVEC-JKSUJKDBSA-N 1 2 437.518 -0.339 20 0 IBADLO COCCN(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001444642207 1074438886 /nfs/dbraw/zinc/43/88/86/1074438886.db2.gz ZOJHYRINWPGXOZ-INIZCTEOSA-N 1 2 428.530 -0.081 20 0 IBADLO COCCN(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001444642209 1074438834 /nfs/dbraw/zinc/43/88/34/1074438834.db2.gz ZOJHYRINWPGXOZ-MRXNPFEDSA-N 1 2 428.530 -0.081 20 0 IBADLO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444647613 1074439478 /nfs/dbraw/zinc/43/94/78/1074439478.db2.gz YZGQNGLHCWBYDX-LLVKDONJSA-N 1 2 447.277 -0.014 20 0 IBADLO Cc1[nH]nc(I)c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444647710 1074439532 /nfs/dbraw/zinc/43/95/32/1074439532.db2.gz YZGQNGLHCWBYDX-NSHDSACASA-N 1 2 447.277 -0.014 20 0 IBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001444673059 1074439679 /nfs/dbraw/zinc/43/96/79/1074439679.db2.gz RVTWUSCQXRXYRV-KRWDZBQOSA-N 1 2 431.472 -0.836 20 0 IBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001444673063 1074439594 /nfs/dbraw/zinc/43/95/94/1074439594.db2.gz RVTWUSCQXRXYRV-QGZVFWFLSA-N 1 2 431.472 -0.836 20 0 IBADLO NS(=O)(=O)c1ccc(NCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(F)c1 ZINC001445657017 1074441359 /nfs/dbraw/zinc/44/13/59/1074441359.db2.gz SRLKHQVWYGRUOS-AWEZNQCLSA-N 1 2 430.502 -0.165 20 0 IBADLO NS(=O)(=O)c1ccc(NCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(F)c1 ZINC001445657023 1074441539 /nfs/dbraw/zinc/44/15/39/1074441539.db2.gz SRLKHQVWYGRUOS-CQSZACIVSA-N 1 2 430.502 -0.165 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CC2)c1 ZINC001446546517 1074442856 /nfs/dbraw/zinc/44/28/56/1074442856.db2.gz XEYPWUDPWHVXLF-UHFFFAOYSA-N 1 2 445.476 -0.330 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446586158 1074442866 /nfs/dbraw/zinc/44/28/66/1074442866.db2.gz UATWUKIHEOBQCG-INIZCTEOSA-N 1 2 440.522 -0.444 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446586161 1074442686 /nfs/dbraw/zinc/44/26/86/1074442686.db2.gz UATWUKIHEOBQCG-MRXNPFEDSA-N 1 2 440.522 -0.444 20 0 IBADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001446599932 1074442797 /nfs/dbraw/zinc/44/27/97/1074442797.db2.gz AUFDBJQSPNHTES-CXAGYDPISA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001446599937 1074443480 /nfs/dbraw/zinc/44/34/80/1074443480.db2.gz AUFDBJQSPNHTES-DYVFJYSZSA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001446599942 1074443273 /nfs/dbraw/zinc/44/32/73/1074443273.db2.gz AUFDBJQSPNHTES-GUYCJALGSA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001446599949 1074443404 /nfs/dbraw/zinc/44/34/04/1074443404.db2.gz AUFDBJQSPNHTES-SUMWQHHRSA-N 1 2 425.507 -0.145 20 0 IBADLO CCOC1CC(CNC(=O)CNS(=O)(=O)c2ccccc2N)([NH+]2CCOCC2)C1 ZINC001448719997 1074448205 /nfs/dbraw/zinc/44/82/05/1074448205.db2.gz HXRRHODIRKUKGD-UHFFFAOYSA-N 1 2 426.539 -0.067 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC3)CC1 ZINC001449265771 1074450592 /nfs/dbraw/zinc/45/05/92/1074450592.db2.gz DTVQCSYAJKRUFD-CVEARBPZSA-N 1 2 435.550 -0.102 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC3)CC1 ZINC001449265778 1074450731 /nfs/dbraw/zinc/45/07/31/1074450731.db2.gz DTVQCSYAJKRUFD-HOTGVXAUSA-N 1 2 435.550 -0.102 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CC3)CC1 ZINC001449265784 1074450675 /nfs/dbraw/zinc/45/06/75/1074450675.db2.gz DTVQCSYAJKRUFD-HZPDHXFCSA-N 1 2 435.550 -0.102 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CC3)CC1 ZINC001449265789 1074450709 /nfs/dbraw/zinc/45/07/09/1074450709.db2.gz DTVQCSYAJKRUFD-JKSUJKDBSA-N 1 2 435.550 -0.102 20 0 IBADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)O1 ZINC001449266640 1074450643 /nfs/dbraw/zinc/45/06/43/1074450643.db2.gz GMJKOYGXEPDQMH-OLMNPRSZSA-N 1 2 433.509 -0.330 20 0 IBADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)O1 ZINC001449266648 1074450716 /nfs/dbraw/zinc/45/07/16/1074450716.db2.gz GMJKOYGXEPDQMH-QGTPRVQTSA-N 1 2 433.509 -0.330 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CCCCC(=O)C2=O)CC3)CC1 ZINC001449266823 1074450623 /nfs/dbraw/zinc/45/06/23/1074450623.db2.gz GSOAENQERPYXCJ-INIZCTEOSA-N 1 2 444.536 -0.469 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CCCCC(=O)C2=O)CC3)CC1 ZINC001449266836 1074450700 /nfs/dbraw/zinc/45/07/00/1074450700.db2.gz GSOAENQERPYXCJ-MRXNPFEDSA-N 1 2 444.536 -0.469 20 0 IBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC001449504061 1074451834 /nfs/dbraw/zinc/45/18/34/1074451834.db2.gz USJFFQDLWNOZIE-AWEZNQCLSA-N 1 2 438.572 -0.622 20 0 IBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC001449504061 1074451832 /nfs/dbraw/zinc/45/18/32/1074451832.db2.gz USJFFQDLWNOZIE-AWEZNQCLSA-N 1 2 438.572 -0.622 20 0 IBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC001449504067 1074451890 /nfs/dbraw/zinc/45/18/90/1074451890.db2.gz USJFFQDLWNOZIE-CQSZACIVSA-N 1 2 438.572 -0.622 20 0 IBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC001449504067 1074451888 /nfs/dbraw/zinc/45/18/88/1074451888.db2.gz USJFFQDLWNOZIE-CQSZACIVSA-N 1 2 438.572 -0.622 20 0 IBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001449688337 1074452428 /nfs/dbraw/zinc/45/24/28/1074452428.db2.gz VMZVWQWCYYUCSL-OKILXGFUSA-N 1 2 431.536 -0.652 20 0 IBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001449688337 1074452425 /nfs/dbraw/zinc/45/24/25/1074452425.db2.gz VMZVWQWCYYUCSL-OKILXGFUSA-N 1 2 431.536 -0.652 20 0 IBADLO Cn1c[nH+]c(CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC001451050955 1074456003 /nfs/dbraw/zinc/45/60/03/1074456003.db2.gz FGHMWGBENFINNN-INIZCTEOSA-N 1 2 428.536 -0.139 20 0 IBADLO Cn1c[nH+]c(CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC001451050962 1074456708 /nfs/dbraw/zinc/45/67/08/1074456708.db2.gz FGHMWGBENFINNN-MRXNPFEDSA-N 1 2 428.536 -0.139 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001451416500 1074458955 /nfs/dbraw/zinc/45/89/55/1074458955.db2.gz GCIXWBPDXSSPEI-IBGZPJMESA-N 1 2 426.514 -0.592 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001451416502 1074459033 /nfs/dbraw/zinc/45/90/33/1074459033.db2.gz GCIXWBPDXSSPEI-LJQANCHMSA-N 1 2 426.514 -0.592 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)CC1 ZINC001451418711 1074458996 /nfs/dbraw/zinc/45/89/96/1074458996.db2.gz JLBUCAVJSDKSMR-HNNXBMFYSA-N 1 2 429.539 -0.235 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)CC1 ZINC001451418713 1074458945 /nfs/dbraw/zinc/45/89/45/1074458945.db2.gz JLBUCAVJSDKSMR-OAHLLOKOSA-N 1 2 429.539 -0.235 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001451424682 1074458920 /nfs/dbraw/zinc/45/89/20/1074458920.db2.gz UAZPKKSJGBRYCQ-INIZCTEOSA-N 1 2 428.530 -0.130 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001451424689 1074458975 /nfs/dbraw/zinc/45/89/75/1074458975.db2.gz UAZPKKSJGBRYCQ-MRXNPFEDSA-N 1 2 428.530 -0.130 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001451425586 1074458979 /nfs/dbraw/zinc/45/89/79/1074458979.db2.gz WTBNEOYNVFIZNL-AWEZNQCLSA-N 1 2 442.538 -0.742 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001451425592 1074458937 /nfs/dbraw/zinc/45/89/37/1074458937.db2.gz WTBNEOYNVFIZNL-CQSZACIVSA-N 1 2 442.538 -0.742 20 0 IBADLO COCCOCC[NH+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC001452685986 1074463701 /nfs/dbraw/zinc/46/37/01/1074463701.db2.gz AJIRETGGCQRGKU-UHFFFAOYSA-N 1 2 430.505 -0.135 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001453591080 1074468431 /nfs/dbraw/zinc/46/84/31/1074468431.db2.gz AGXCCWHYSJUBEF-HSZRJFAPSA-N 1 2 442.516 -0.210 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001453591080 1074468425 /nfs/dbraw/zinc/46/84/25/1074468425.db2.gz AGXCCWHYSJUBEF-HSZRJFAPSA-N 1 2 442.516 -0.210 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001453591086 1074468859 /nfs/dbraw/zinc/46/88/59/1074468859.db2.gz AGXCCWHYSJUBEF-QHCPKHFHSA-N 1 2 442.516 -0.210 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001453591086 1074468848 /nfs/dbraw/zinc/46/88/48/1074468848.db2.gz AGXCCWHYSJUBEF-QHCPKHFHSA-N 1 2 442.516 -0.210 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC001453591130 1074469038 /nfs/dbraw/zinc/46/90/38/1074469038.db2.gz AOYZGLTWXDWYKS-GOSISDBHSA-N 1 2 433.477 -0.025 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC001453591130 1074469033 /nfs/dbraw/zinc/46/90/33/1074469033.db2.gz AOYZGLTWXDWYKS-GOSISDBHSA-N 1 2 433.477 -0.025 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC001453591135 1074468924 /nfs/dbraw/zinc/46/89/24/1074468924.db2.gz AOYZGLTWXDWYKS-SFHVURJKSA-N 1 2 433.477 -0.025 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC001453591135 1074468920 /nfs/dbraw/zinc/46/89/20/1074468920.db2.gz AOYZGLTWXDWYKS-SFHVURJKSA-N 1 2 433.477 -0.025 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001453591188 1074469119 /nfs/dbraw/zinc/46/91/19/1074469119.db2.gz AZYGLFWGKLZWFA-FQEVSTJZSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001453591188 1074469114 /nfs/dbraw/zinc/46/91/14/1074469114.db2.gz AZYGLFWGKLZWFA-FQEVSTJZSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001453591190 1074469015 /nfs/dbraw/zinc/46/90/15/1074469015.db2.gz AZYGLFWGKLZWFA-HXUWFJFHSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001453591190 1074469012 /nfs/dbraw/zinc/46/90/12/1074469012.db2.gz AZYGLFWGKLZWFA-HXUWFJFHSA-N 1 2 441.550 -0.043 20 0 IBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC001453594007 1074469001 /nfs/dbraw/zinc/46/90/01/1074469001.db2.gz GBWKYJARCIDKMM-HRAATJIYSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC001453594007 1074468999 /nfs/dbraw/zinc/46/89/99/1074468999.db2.gz GBWKYJARCIDKMM-HRAATJIYSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC001453594013 1074468954 /nfs/dbraw/zinc/46/89/54/1074468954.db2.gz GBWKYJARCIDKMM-IERDGZPVSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC001453594013 1074468948 /nfs/dbraw/zinc/46/89/48/1074468948.db2.gz GBWKYJARCIDKMM-IERDGZPVSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC001453594018 1074469071 /nfs/dbraw/zinc/46/90/71/1074469071.db2.gz GBWKYJARCIDKMM-IIBYNOLFSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC001453594018 1074469065 /nfs/dbraw/zinc/46/90/65/1074469065.db2.gz GBWKYJARCIDKMM-IIBYNOLFSA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC001453594024 1074469089 /nfs/dbraw/zinc/46/90/89/1074469089.db2.gz GBWKYJARCIDKMM-KKSFZXQISA-N 1 2 435.525 -0.386 20 0 IBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC001453594024 1074469085 /nfs/dbraw/zinc/46/90/85/1074469085.db2.gz GBWKYJARCIDKMM-KKSFZXQISA-N 1 2 435.525 -0.386 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600176 1074469103 /nfs/dbraw/zinc/46/91/03/1074469103.db2.gz SYEQYDGMVLSXAA-HRAATJIYSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600176 1074469099 /nfs/dbraw/zinc/46/90/99/1074469099.db2.gz SYEQYDGMVLSXAA-HRAATJIYSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600182 1074468819 /nfs/dbraw/zinc/46/88/19/1074468819.db2.gz SYEQYDGMVLSXAA-IERDGZPVSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600182 1074468812 /nfs/dbraw/zinc/46/88/12/1074468812.db2.gz SYEQYDGMVLSXAA-IERDGZPVSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600189 1074468977 /nfs/dbraw/zinc/46/89/77/1074468977.db2.gz SYEQYDGMVLSXAA-IIBYNOLFSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600189 1074468970 /nfs/dbraw/zinc/46/89/70/1074468970.db2.gz SYEQYDGMVLSXAA-IIBYNOLFSA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600196 1074469055 /nfs/dbraw/zinc/46/90/55/1074469055.db2.gz SYEQYDGMVLSXAA-KKSFZXQISA-N 1 2 433.509 -0.091 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001453600196 1074469050 /nfs/dbraw/zinc/46/90/50/1074469050.db2.gz SYEQYDGMVLSXAA-KKSFZXQISA-N 1 2 433.509 -0.091 20 0 IBADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001453781497 1074471020 /nfs/dbraw/zinc/47/10/20/1074471020.db2.gz FACVTQVWFDGVHA-UHFFFAOYSA-N 1 2 440.522 -0.651 20 0 IBADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001453781497 1074471019 /nfs/dbraw/zinc/47/10/19/1074471019.db2.gz FACVTQVWFDGVHA-UHFFFAOYSA-N 1 2 440.522 -0.651 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cn1C ZINC001454113423 1074471650 /nfs/dbraw/zinc/47/16/50/1074471650.db2.gz FYEVMLBJNZPCJL-GOSISDBHSA-N 1 2 434.566 -0.061 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cn1C ZINC001454113423 1074471639 /nfs/dbraw/zinc/47/16/39/1074471639.db2.gz FYEVMLBJNZPCJL-GOSISDBHSA-N 1 2 434.566 -0.061 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cn1C ZINC001454113436 1074471559 /nfs/dbraw/zinc/47/15/59/1074471559.db2.gz FYEVMLBJNZPCJL-SFHVURJKSA-N 1 2 434.566 -0.061 20 0 IBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cn1C ZINC001454113436 1074471553 /nfs/dbraw/zinc/47/15/53/1074471553.db2.gz FYEVMLBJNZPCJL-SFHVURJKSA-N 1 2 434.566 -0.061 20 0 IBADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001454170885 1074471603 /nfs/dbraw/zinc/47/16/03/1074471603.db2.gz RYLGKLCHAACDAE-CABCVRRESA-N 1 2 438.506 -0.188 20 0 IBADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001454170971 1074471517 /nfs/dbraw/zinc/47/15/17/1074471517.db2.gz RYLGKLCHAACDAE-GJZGRUSLSA-N 1 2 438.506 -0.188 20 0 IBADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001454170978 1074471446 /nfs/dbraw/zinc/47/14/46/1074471446.db2.gz RYLGKLCHAACDAE-HUUCEWRRSA-N 1 2 438.506 -0.188 20 0 IBADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001454170987 1074471616 /nfs/dbraw/zinc/47/16/16/1074471616.db2.gz RYLGKLCHAACDAE-LSDHHAIUSA-N 1 2 438.506 -0.188 20 0 IBADLO NS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001454210775 1074472041 /nfs/dbraw/zinc/47/20/41/1074472041.db2.gz YMOTXZLYKDFESJ-AEFFLSMTSA-N 1 2 438.550 -0.138 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC001454220058 1074472097 /nfs/dbraw/zinc/47/20/97/1074472097.db2.gz ILBRDJCBPAMQJB-KRWDZBQOSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC001454220058 1074472095 /nfs/dbraw/zinc/47/20/95/1074472095.db2.gz ILBRDJCBPAMQJB-KRWDZBQOSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC001454220063 1074472106 /nfs/dbraw/zinc/47/21/06/1074472106.db2.gz ILBRDJCBPAMQJB-QGZVFWFLSA-N 1 2 429.539 -0.281 20 0 IBADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC001454220063 1074472104 /nfs/dbraw/zinc/47/21/04/1074472104.db2.gz ILBRDJCBPAMQJB-QGZVFWFLSA-N 1 2 429.539 -0.281 20 0 IBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001454287592 1074472546 /nfs/dbraw/zinc/47/25/46/1074472546.db2.gz DZKZFWQLDDZVIE-DZKIICNBSA-N 1 2 433.552 -0.665 20 0 IBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001454287596 1074472679 /nfs/dbraw/zinc/47/26/79/1074472679.db2.gz DZKZFWQLDDZVIE-LZWOXQAQSA-N 1 2 433.552 -0.665 20 0 IBADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001454287599 1074472562 /nfs/dbraw/zinc/47/25/62/1074472562.db2.gz DZKZFWQLDDZVIE-OFQRWUPVSA-N 1 2 433.552 -0.665 20 0 IBADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001454287601 1074472603 /nfs/dbraw/zinc/47/26/03/1074472603.db2.gz DZKZFWQLDDZVIE-SQWLQELKSA-N 1 2 433.552 -0.665 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C(=O)C1 ZINC001454288267 1074472581 /nfs/dbraw/zinc/47/25/81/1074472581.db2.gz JCZXODDURLVHBH-INIZCTEOSA-N 1 2 426.514 -0.375 20 0 IBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C(=O)C1 ZINC001454288269 1074472988 /nfs/dbraw/zinc/47/29/88/1074472988.db2.gz JCZXODDURLVHBH-MRXNPFEDSA-N 1 2 426.514 -0.375 20 0 IBADLO CN(C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001454435601 1074473763 /nfs/dbraw/zinc/47/37/63/1074473763.db2.gz DDENBNVHMOXZTC-DLBZAZTESA-N 1 2 442.557 -0.147 20 0 IBADLO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001454435612 1074473750 /nfs/dbraw/zinc/47/37/50/1074473750.db2.gz DDENBNVHMOXZTC-IAGOWNOFSA-N 1 2 442.557 -0.147 20 0 IBADLO CN(C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001454435621 1074473806 /nfs/dbraw/zinc/47/38/06/1074473806.db2.gz DDENBNVHMOXZTC-IRXDYDNUSA-N 1 2 442.557 -0.147 20 0 IBADLO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001454435662 1074473732 /nfs/dbraw/zinc/47/37/32/1074473732.db2.gz DDENBNVHMOXZTC-SJORKVTESA-N 1 2 442.557 -0.147 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC001454502845 1074475968 /nfs/dbraw/zinc/47/59/68/1074475968.db2.gz SZLQWPWOSIYHKH-KRWDZBQOSA-N 1 2 436.538 -0.215 20 0 IBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC001454502848 1074475881 /nfs/dbraw/zinc/47/58/81/1074475881.db2.gz SZLQWPWOSIYHKH-QGZVFWFLSA-N 1 2 436.538 -0.215 20 0 IBADLO CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454580676 1074475825 /nfs/dbraw/zinc/47/58/25/1074475825.db2.gz VYFHWYWWDWQNGN-IAGOWNOFSA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001454580676 1074475821 /nfs/dbraw/zinc/47/58/21/1074475821.db2.gz VYFHWYWWDWQNGN-IAGOWNOFSA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454580678 1074476324 /nfs/dbraw/zinc/47/63/24/1074476324.db2.gz VYFHWYWWDWQNGN-SJORKVTESA-N 1 2 427.523 -0.101 20 0 IBADLO CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001454580678 1074476322 /nfs/dbraw/zinc/47/63/22/1074476322.db2.gz VYFHWYWWDWQNGN-SJORKVTESA-N 1 2 427.523 -0.101 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001455321394 1074483557 /nfs/dbraw/zinc/48/35/57/1074483557.db2.gz HWQNZAIEVQOEAF-SFHVURJKSA-N 1 2 448.549 -0.502 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001455321394 1074483550 /nfs/dbraw/zinc/48/35/50/1074483550.db2.gz HWQNZAIEVQOEAF-SFHVURJKSA-N 1 2 448.549 -0.502 20 0 IBADLO CN1CCn2c(CNC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)nnc2C1=O ZINC001455383093 1074484859 /nfs/dbraw/zinc/48/48/59/1074484859.db2.gz MYJIUUBNAYWNCF-UHFFFAOYSA-N 1 2 426.481 -0.496 20 0 IBADLO O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001455438872 1074485302 /nfs/dbraw/zinc/48/53/02/1074485302.db2.gz LHUUUOUCLGRGSY-CYBMUJFWSA-N 1 2 436.490 -0.468 20 0 IBADLO O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001455438875 1074485375 /nfs/dbraw/zinc/48/53/75/1074485375.db2.gz LHUUUOUCLGRGSY-ZDUSSCGKSA-N 1 2 436.490 -0.468 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC001455760707 1074488125 /nfs/dbraw/zinc/48/81/25/1074488125.db2.gz SAZMNMPZKSDULD-DLBZAZTESA-N 1 2 432.525 -0.244 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC001455760755 1074488282 /nfs/dbraw/zinc/48/82/82/1074488282.db2.gz SAZMNMPZKSDULD-IAGOWNOFSA-N 1 2 432.525 -0.244 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC001455760763 1074488234 /nfs/dbraw/zinc/48/82/34/1074488234.db2.gz SAZMNMPZKSDULD-IRXDYDNUSA-N 1 2 432.525 -0.244 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)n1 ZINC001455760770 1074488199 /nfs/dbraw/zinc/48/81/99/1074488199.db2.gz SAZMNMPZKSDULD-SJORKVTESA-N 1 2 432.525 -0.244 20 0 IBADLO CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001455914638 1074488733 /nfs/dbraw/zinc/48/87/33/1074488733.db2.gz DZJOCANEBILMKB-CVEARBPZSA-N 1 2 433.509 -0.029 20 0 IBADLO CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001455914640 1074488896 /nfs/dbraw/zinc/48/88/96/1074488896.db2.gz DZJOCANEBILMKB-HOTGVXAUSA-N 1 2 433.509 -0.029 20 0 IBADLO CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001455914642 1074489333 /nfs/dbraw/zinc/48/93/33/1074489333.db2.gz DZJOCANEBILMKB-HZPDHXFCSA-N 1 2 433.509 -0.029 20 0 IBADLO CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001455914644 1074489348 /nfs/dbraw/zinc/48/93/48/1074489348.db2.gz DZJOCANEBILMKB-JKSUJKDBSA-N 1 2 433.509 -0.029 20 0 IBADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001455916187 1074489250 /nfs/dbraw/zinc/48/92/50/1074489250.db2.gz OHSNDCYJXCYRKA-GFCCVEGCSA-N 1 2 447.414 -0.692 20 0 IBADLO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001455916189 1074489171 /nfs/dbraw/zinc/48/91/71/1074489171.db2.gz OHSNDCYJXCYRKA-LBPRGKRZSA-N 1 2 447.414 -0.692 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC001456035625 1074490008 /nfs/dbraw/zinc/49/00/08/1074490008.db2.gz GHXCMHINOMATPT-UHFFFAOYSA-N 1 2 429.568 -0.354 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC001456035625 1074490004 /nfs/dbraw/zinc/49/00/04/1074490004.db2.gz GHXCMHINOMATPT-UHFFFAOYSA-N 1 2 429.568 -0.354 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001456037227 1074489884 /nfs/dbraw/zinc/48/98/84/1074489884.db2.gz LEQBVQFVXIPCPX-INIZCTEOSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001456037227 1074489871 /nfs/dbraw/zinc/48/98/71/1074489871.db2.gz LEQBVQFVXIPCPX-INIZCTEOSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001456037228 1074489960 /nfs/dbraw/zinc/48/99/60/1074489960.db2.gz LEQBVQFVXIPCPX-MRXNPFEDSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001456037228 1074489956 /nfs/dbraw/zinc/48/99/56/1074489956.db2.gz LEQBVQFVXIPCPX-MRXNPFEDSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001456037952 1074490393 /nfs/dbraw/zinc/49/03/93/1074490393.db2.gz SBNMMTOVSXNMNJ-INIZCTEOSA-N 1 2 429.477 -0.803 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001456037952 1074490386 /nfs/dbraw/zinc/49/03/86/1074490386.db2.gz SBNMMTOVSXNMNJ-INIZCTEOSA-N 1 2 429.477 -0.803 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001456037955 1074490355 /nfs/dbraw/zinc/49/03/55/1074490355.db2.gz SBNMMTOVSXNMNJ-MRXNPFEDSA-N 1 2 429.477 -0.803 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001456037955 1074490350 /nfs/dbraw/zinc/49/03/50/1074490350.db2.gz SBNMMTOVSXNMNJ-MRXNPFEDSA-N 1 2 429.477 -0.803 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001456038608 1074490305 /nfs/dbraw/zinc/49/03/05/1074490305.db2.gz CVTPPPKTTLIOGI-KRWDZBQOSA-N 1 2 427.546 -0.068 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001456038608 1074490300 /nfs/dbraw/zinc/49/03/00/1074490300.db2.gz CVTPPPKTTLIOGI-KRWDZBQOSA-N 1 2 427.546 -0.068 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 ZINC001456038658 1074490452 /nfs/dbraw/zinc/49/04/52/1074490452.db2.gz FMZBGWLRUHUGFX-NRFANRHFSA-N 1 2 431.493 -0.258 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 ZINC001456038658 1074490445 /nfs/dbraw/zinc/49/04/45/1074490445.db2.gz FMZBGWLRUHUGFX-NRFANRHFSA-N 1 2 431.493 -0.258 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 ZINC001456038660 1074490326 /nfs/dbraw/zinc/49/03/26/1074490326.db2.gz FMZBGWLRUHUGFX-OAQYLSRUSA-N 1 2 431.493 -0.258 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 ZINC001456038660 1074490320 /nfs/dbraw/zinc/49/03/20/1074490320.db2.gz FMZBGWLRUHUGFX-OAQYLSRUSA-N 1 2 431.493 -0.258 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC001456160132 1074490217 /nfs/dbraw/zinc/49/02/17/1074490217.db2.gz YIDIWBRBKNWDKC-INIZCTEOSA-N 1 2 432.525 -0.244 20 0 IBADLO Cc1cc(=O)[nH]c(N2CCC(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC001456160133 1074490470 /nfs/dbraw/zinc/49/04/70/1074490470.db2.gz YIDIWBRBKNWDKC-MRXNPFEDSA-N 1 2 432.525 -0.244 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC001456308911 1074492493 /nfs/dbraw/zinc/49/24/93/1074492493.db2.gz UDSCXNYETRPZIK-CQSZACIVSA-N 1 2 442.519 -0.065 20 0 IBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC001456308911 1074492488 /nfs/dbraw/zinc/49/24/88/1074492488.db2.gz UDSCXNYETRPZIK-CQSZACIVSA-N 1 2 442.519 -0.065 20 0 IBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CCS2(=O)=O ZINC001456727183 1074495072 /nfs/dbraw/zinc/49/50/72/1074495072.db2.gz KRRURZICANFYGV-CEBGKUIJSA-N 1 2 429.539 -0.806 20 0 IBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CCS2(=O)=O ZINC001456727188 1074494901 /nfs/dbraw/zinc/49/49/01/1074494901.db2.gz KRRURZICANFYGV-ZRUZRRJWSA-N 1 2 429.539 -0.806 20 0 IBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCN(c3ccccn3)CC1)CCS2(=O)=O ZINC001456729707 1074495140 /nfs/dbraw/zinc/49/51/40/1074495140.db2.gz ILLVUDQKLPNKGV-BATSVXPKSA-N 1 2 449.577 -0.079 20 0 IBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCN(c3ccccn3)CC1)CCS2(=O)=O ZINC001456729774 1074494976 /nfs/dbraw/zinc/49/49/76/1074494976.db2.gz ILLVUDQKLPNKGV-BQIYRTECSA-N 1 2 449.577 -0.079 20 0 IBADLO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001457182621 1074496490 /nfs/dbraw/zinc/49/64/90/1074496490.db2.gz HOLRWKXVQUWEKQ-GOSISDBHSA-N 1 2 437.504 -0.037 20 0 IBADLO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001457182623 1074496380 /nfs/dbraw/zinc/49/63/80/1074496380.db2.gz HOLRWKXVQUWEKQ-SFHVURJKSA-N 1 2 437.504 -0.037 20 0 IBADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[nH+]c12 ZINC001458819340 1074501171 /nfs/dbraw/zinc/50/11/71/1074501171.db2.gz ZQAAJSMAIHBKGI-LBPRGKRZSA-N 1 2 429.296 -0.023 20 0 IBADLO NC(=O)C1(O)CC[NH+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001460099560 1074503837 /nfs/dbraw/zinc/50/38/37/1074503837.db2.gz LDFMWXOBOLGOGF-UHFFFAOYSA-N 1 2 438.550 -0.210 20 0 IBADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001460103973 1074504207 /nfs/dbraw/zinc/50/42/07/1074504207.db2.gz YGTZIIVDDGCYDT-INIZCTEOSA-N 1 2 425.511 -0.275 20 0 IBADLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001460103977 1074504262 /nfs/dbraw/zinc/50/42/62/1074504262.db2.gz YGTZIIVDDGCYDT-MRXNPFEDSA-N 1 2 425.511 -0.275 20 0 IBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001460152361 1074504164 /nfs/dbraw/zinc/50/41/64/1074504164.db2.gz RTBHXRBVULXOPR-HNNXBMFYSA-N 1 2 429.568 -0.138 20 0 IBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001460152362 1074504742 /nfs/dbraw/zinc/50/47/42/1074504742.db2.gz RTBHXRBVULXOPR-OAHLLOKOSA-N 1 2 429.568 -0.138 20 0 IBADLO O=C(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001460209581 1074504731 /nfs/dbraw/zinc/50/47/31/1074504731.db2.gz UDISQCUNVXVDOJ-JVPZLNSYSA-N 1 2 445.501 -0.177 20 0 IBADLO O=C(C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001460209581 1074504728 /nfs/dbraw/zinc/50/47/28/1074504728.db2.gz UDISQCUNVXVDOJ-JVPZLNSYSA-N 1 2 445.501 -0.177 20 0 IBADLO O=C(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001460209583 1074504777 /nfs/dbraw/zinc/50/47/77/1074504777.db2.gz UDISQCUNVXVDOJ-SDGZPOHHSA-N 1 2 445.501 -0.177 20 0 IBADLO O=C(C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001460209583 1074504770 /nfs/dbraw/zinc/50/47/70/1074504770.db2.gz UDISQCUNVXVDOJ-SDGZPOHHSA-N 1 2 445.501 -0.177 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001460219932 1074505228 /nfs/dbraw/zinc/50/52/28/1074505228.db2.gz DTJKAYOUMBMWAG-ADAWSYLGSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001460219932 1074505222 /nfs/dbraw/zinc/50/52/22/1074505222.db2.gz DTJKAYOUMBMWAG-ADAWSYLGSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001460219948 1074505208 /nfs/dbraw/zinc/50/52/08/1074505208.db2.gz DTJKAYOUMBMWAG-BSXFFOKHSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001460219948 1074505201 /nfs/dbraw/zinc/50/52/01/1074505201.db2.gz DTJKAYOUMBMWAG-BSXFFOKHSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@@H](CO)C3)cc2)C[C@H](C)O1 ZINC001460219950 1074505252 /nfs/dbraw/zinc/50/52/52/1074505252.db2.gz DTJKAYOUMBMWAG-FSZRXZPDSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cc2)C[C@H](C)O1 ZINC001460219950 1074505247 /nfs/dbraw/zinc/50/52/47/1074505247.db2.gz DTJKAYOUMBMWAG-FSZRXZPDSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001460219952 1074505291 /nfs/dbraw/zinc/50/52/91/1074505291.db2.gz DTJKAYOUMBMWAG-KRXQYRFLSA-N 1 2 427.523 -0.292 20 0 IBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001460219952 1074505289 /nfs/dbraw/zinc/50/52/89/1074505289.db2.gz DTJKAYOUMBMWAG-KRXQYRFLSA-N 1 2 427.523 -0.292 20 0 IBADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)CO ZINC001460274014 1074505815 /nfs/dbraw/zinc/50/58/15/1074505815.db2.gz DCAGPMHCZGWQOU-INIZCTEOSA-N 1 2 428.530 -0.753 20 0 IBADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)CO ZINC001460274014 1074505810 /nfs/dbraw/zinc/50/58/10/1074505810.db2.gz DCAGPMHCZGWQOU-INIZCTEOSA-N 1 2 428.530 -0.753 20 0 IBADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)CO ZINC001460274021 1074505864 /nfs/dbraw/zinc/50/58/64/1074505864.db2.gz DCAGPMHCZGWQOU-MRXNPFEDSA-N 1 2 428.530 -0.753 20 0 IBADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)CO ZINC001460274021 1074505858 /nfs/dbraw/zinc/50/58/58/1074505858.db2.gz DCAGPMHCZGWQOU-MRXNPFEDSA-N 1 2 428.530 -0.753 20 0 IBADLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1 ZINC001460279820 1074506013 /nfs/dbraw/zinc/50/60/13/1074506013.db2.gz RRZUYSITGDOOKD-UHFFFAOYSA-N 1 2 425.511 -0.221 20 0 IBADLO CNC(=O)NC[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC001460457219 1074507474 /nfs/dbraw/zinc/50/74/74/1074507474.db2.gz PVFWQDGIFXBXJW-IBGZPJMESA-N 1 2 431.537 -0.105 20 0 IBADLO CNC(=O)NC[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC001460457226 1074507567 /nfs/dbraw/zinc/50/75/67/1074507567.db2.gz PVFWQDGIFXBXJW-LJQANCHMSA-N 1 2 431.537 -0.105 20 0 IBADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460460078 1074507438 /nfs/dbraw/zinc/50/74/38/1074507438.db2.gz KVXIMIRTNIIOFW-UHFFFAOYSA-N 1 2 442.538 -0.046 20 0 IBADLO COC(=O)N(C)CC[N@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460460078 1074507434 /nfs/dbraw/zinc/50/74/34/1074507434.db2.gz KVXIMIRTNIIOFW-UHFFFAOYSA-N 1 2 442.538 -0.046 20 0 IBADLO COC(=O)CCN1CC[C@@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1=O ZINC001460509632 1074507986 /nfs/dbraw/zinc/50/79/86/1074507986.db2.gz BUAUUJYWZOHZLS-GOSISDBHSA-N 1 2 438.550 -0.254 20 0 IBADLO COC(=O)CCN1CC[C@H]([NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1=O ZINC001460509657 1074507831 /nfs/dbraw/zinc/50/78/31/1074507831.db2.gz BUAUUJYWZOHZLS-SFHVURJKSA-N 1 2 438.550 -0.254 20 0 IBADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CCC(=O)NCc1ccc(OC)cc1OC ZINC001460531770 1074507967 /nfs/dbraw/zinc/50/79/67/1074507967.db2.gz KIGNYRUIGWFAQR-HOCLYGCPSA-N 1 2 448.476 -0.122 20 0 IBADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1CCC(=O)NCc1ccc(OC)cc1OC ZINC001460531770 1074507959 /nfs/dbraw/zinc/50/79/59/1074507959.db2.gz KIGNYRUIGWFAQR-HOCLYGCPSA-N 1 2 448.476 -0.122 20 0 IBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001460758651 1074510211 /nfs/dbraw/zinc/51/02/11/1074510211.db2.gz QLTLLISNGNXIOI-UHFFFAOYSA-N 1 2 443.522 -0.088 20 0 IBADLO Cn1c2[nH]c(C[NH+]3CCC(c4ccc(S(N)(=O)=O)cc4)CC3)nc2c(=O)n(C)c1=O ZINC001460862093 1074511227 /nfs/dbraw/zinc/51/12/27/1074511227.db2.gz YMTLBIKNUQFKQT-UHFFFAOYSA-N 1 2 432.506 -0.013 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC001460879034 1074511058 /nfs/dbraw/zinc/51/10/58/1074511058.db2.gz LXPWPWALQAJYPG-UHFFFAOYSA-N 1 2 431.511 -0.280 20 0 IBADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1nnnn1C ZINC001460898812 1074511198 /nfs/dbraw/zinc/51/11/98/1074511198.db2.gz DUZJXSIMDMKREV-AWEZNQCLSA-N 1 2 433.538 -0.118 20 0 IBADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1nnnn1C ZINC001460898821 1074511214 /nfs/dbraw/zinc/51/12/14/1074511214.db2.gz DUZJXSIMDMKREV-CQSZACIVSA-N 1 2 433.538 -0.118 20 0 IBADLO Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001460925411 1074511577 /nfs/dbraw/zinc/51/15/77/1074511577.db2.gz LIOHWBNSOBSRTH-KRWDZBQOSA-N 1 2 426.525 -0.007 20 0 IBADLO Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001460925416 1074511706 /nfs/dbraw/zinc/51/17/06/1074511706.db2.gz LIOHWBNSOBSRTH-QGZVFWFLSA-N 1 2 426.525 -0.007 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)ccc1C ZINC001460935628 1074511631 /nfs/dbraw/zinc/51/16/31/1074511631.db2.gz KOARAIWXSXBRSL-KBPBESRZSA-N 1 2 427.479 -0.264 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)ccc1C ZINC001460935631 1074511616 /nfs/dbraw/zinc/51/16/16/1074511616.db2.gz KOARAIWXSXBRSL-OKILXGFUSA-N 1 2 427.479 -0.264 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)ccc1C ZINC001460935631 1074511609 /nfs/dbraw/zinc/51/16/09/1074511609.db2.gz KOARAIWXSXBRSL-OKILXGFUSA-N 1 2 427.479 -0.264 20 0 IBADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)ccc1C ZINC001460935633 1074511723 /nfs/dbraw/zinc/51/17/23/1074511723.db2.gz KOARAIWXSXBRSL-ZIAGYGMSSA-N 1 2 427.479 -0.264 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C(=O)OC ZINC001460938860 1074511791 /nfs/dbraw/zinc/51/17/91/1074511791.db2.gz XUUMZBDGAGQCRM-GASCZTMLSA-N 1 2 427.479 -0.231 20 0 IBADLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C(=O)OC ZINC001460938860 1074511783 /nfs/dbraw/zinc/51/17/83/1074511783.db2.gz XUUMZBDGAGQCRM-GASCZTMLSA-N 1 2 427.479 -0.231 20 0 IBADLO COC(=O)[C@H]1C[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C(=O)OC ZINC001460938867 1074511450 /nfs/dbraw/zinc/51/14/50/1074511450.db2.gz XUUMZBDGAGQCRM-GJZGRUSLSA-N 1 2 427.479 -0.231 20 0 IBADLO COC(=O)[C@@H]1C[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C(=O)OC ZINC001460938873 1074511746 /nfs/dbraw/zinc/51/17/46/1074511746.db2.gz XUUMZBDGAGQCRM-HUUCEWRRSA-N 1 2 427.479 -0.231 20 0 IBADLO COc1ccc(F)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001462812216 1074517592 /nfs/dbraw/zinc/51/75/92/1074517592.db2.gz CDSKQDBQNIKHQR-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO COc1cc(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC001462814928 1074517996 /nfs/dbraw/zinc/51/79/96/1074517996.db2.gz JXDQEKSOAJXLDJ-UHFFFAOYSA-N 1 2 439.585 -0.909 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3nncn3C)cc2)CC1 ZINC001463005822 1074520164 /nfs/dbraw/zinc/52/01/64/1074520164.db2.gz GJLMMAAUHJBICI-UHFFFAOYSA-N 1 2 436.538 -0.121 20 0 IBADLO COC1CCN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001463162940 1074521572 /nfs/dbraw/zinc/52/15/72/1074521572.db2.gz YSQOTSLVRFBHED-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO COC1CCN(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC001463162940 1074521563 /nfs/dbraw/zinc/52/15/63/1074521563.db2.gz YSQOTSLVRFBHED-UHFFFAOYSA-N 1 2 426.543 -0.209 20 0 IBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+](C)C1 ZINC001463900121 1074527018 /nfs/dbraw/zinc/52/70/18/1074527018.db2.gz HGLXHKKIQKCIDU-INIZCTEOSA-N 1 2 425.507 -0.116 20 0 IBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+](C)C1 ZINC001463900121 1074527012 /nfs/dbraw/zinc/52/70/12/1074527012.db2.gz HGLXHKKIQKCIDU-INIZCTEOSA-N 1 2 425.507 -0.116 20 0 IBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+](C)C1 ZINC001463900123 1074527114 /nfs/dbraw/zinc/52/71/14/1074527114.db2.gz HGLXHKKIQKCIDU-MRXNPFEDSA-N 1 2 425.507 -0.116 20 0 IBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+](C)C1 ZINC001463900123 1074527109 /nfs/dbraw/zinc/52/71/09/1074527109.db2.gz HGLXHKKIQKCIDU-MRXNPFEDSA-N 1 2 425.507 -0.116 20 0 IBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001463929329 1074527386 /nfs/dbraw/zinc/52/73/86/1074527386.db2.gz DLSKBVNSSLQZLJ-KRWDZBQOSA-N 1 2 441.467 -0.129 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC001463982611 1074527846 /nfs/dbraw/zinc/52/78/46/1074527846.db2.gz HNUCMSWHBYTICS-UHFFFAOYSA-N 1 2 432.568 -0.055 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001463984810 1074527812 /nfs/dbraw/zinc/52/78/12/1074527812.db2.gz UPNUHSGJVWDAPM-HNNXBMFYSA-N 1 2 438.616 -0.480 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001463984820 1074527919 /nfs/dbraw/zinc/52/79/19/1074527919.db2.gz UPNUHSGJVWDAPM-OAHLLOKOSA-N 1 2 438.616 -0.480 20 0 IBADLO COC(=O)c1ccn(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001464098155 1074529596 /nfs/dbraw/zinc/52/95/96/1074529596.db2.gz APNQWOABPPDQPZ-UHFFFAOYSA-N 1 2 442.542 -0.914 20 0 IBADLO CCOC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]c1C ZINC001464098226 1074529472 /nfs/dbraw/zinc/52/94/72/1074529472.db2.gz BPMKXSUAKLXZAU-UHFFFAOYSA-N 1 2 427.527 -0.250 20 0 IBADLO COC(=O)c1cc(F)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001464099960 1074529554 /nfs/dbraw/zinc/52/95/54/1074529554.db2.gz GUKJDJIDJCIQDC-UHFFFAOYSA-N 1 2 428.486 -0.138 20 0 IBADLO Cc1nc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2c(=O)[nH]1 ZINC001464100108 1074529427 /nfs/dbraw/zinc/52/94/27/1074529427.db2.gz HNAAPWDWEVRTTK-UHFFFAOYSA-N 1 2 434.522 -0.106 20 0 IBADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC001464118168 1074530005 /nfs/dbraw/zinc/53/00/05/1074530005.db2.gz AOTZSXRWFZPYCH-GQCSXXPBSA-N 1 2 430.571 -0.237 20 0 IBADLO C/C(=C\C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC001464118169 1074529992 /nfs/dbraw/zinc/52/99/92/1074529992.db2.gz AOTZSXRWFZPYCH-IOSWFWLXSA-N 1 2 430.571 -0.237 20 0 IBADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC001464118170 1074529976 /nfs/dbraw/zinc/52/99/76/1074529976.db2.gz AOTZSXRWFZPYCH-KZLRIVJYSA-N 1 2 430.571 -0.237 20 0 IBADLO C/C(=C\C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC001464118171 1074529950 /nfs/dbraw/zinc/52/99/50/1074529950.db2.gz AOTZSXRWFZPYCH-VMPFUQBJSA-N 1 2 430.571 -0.237 20 0 IBADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001464164480 1074530642 /nfs/dbraw/zinc/53/06/42/1074530642.db2.gz CZIMKPDCMPYMET-ZFWWWQNUSA-N 1 2 436.490 -0.469 20 0 IBADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001464164480 1074530634 /nfs/dbraw/zinc/53/06/34/1074530634.db2.gz CZIMKPDCMPYMET-ZFWWWQNUSA-N 1 2 436.490 -0.469 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1OCCO ZINC001464198015 1074531714 /nfs/dbraw/zinc/53/17/14/1074531714.db2.gz MOTXYJPLTQRYCM-UHFFFAOYSA-N 1 2 435.506 -0.271 20 0 IBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001464379809 1074534953 /nfs/dbraw/zinc/53/49/53/1074534953.db2.gz IUMGYMQLNMSASN-HNNXBMFYSA-N 1 2 429.543 -0.030 20 0 IBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001464379809 1074534943 /nfs/dbraw/zinc/53/49/43/1074534943.db2.gz IUMGYMQLNMSASN-HNNXBMFYSA-N 1 2 429.543 -0.030 20 0 IBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001464379849 1074535074 /nfs/dbraw/zinc/53/50/74/1074535074.db2.gz IUMGYMQLNMSASN-OAHLLOKOSA-N 1 2 429.543 -0.030 20 0 IBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001464379849 1074535067 /nfs/dbraw/zinc/53/50/67/1074535067.db2.gz IUMGYMQLNMSASN-OAHLLOKOSA-N 1 2 429.543 -0.030 20 0 IBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cn3cnc(C(N)=O)n3)cc2)CC1 ZINC001464745393 1074540170 /nfs/dbraw/zinc/54/01/70/1074540170.db2.gz HBADRNRDXKJKLA-UHFFFAOYSA-N 1 2 443.508 -0.721 20 0 IBADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC(=O)NCCN2CCOCC2)CC1 ZINC001464837512 1074541730 /nfs/dbraw/zinc/54/17/30/1074541730.db2.gz PMCBFLDMZICKEU-UHFFFAOYSA-N 1 2 427.546 -0.460 20 0 IBADLO COCCn1cc(N2C[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)cn1 ZINC001464906935 1074543169 /nfs/dbraw/zinc/54/31/69/1074543169.db2.gz VIGHSYCRWMGGDW-HNNXBMFYSA-N 1 2 441.554 -0.492 20 0 IBADLO COCCn1cc(N2C[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)cn1 ZINC001464906938 1074542960 /nfs/dbraw/zinc/54/29/60/1074542960.db2.gz VIGHSYCRWMGGDW-OAHLLOKOSA-N 1 2 441.554 -0.492 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001464953310 1074543446 /nfs/dbraw/zinc/54/34/46/1074543446.db2.gz OUZJXZRYMCSXHA-HNNXBMFYSA-N 1 2 447.565 -0.105 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001464953310 1074543443 /nfs/dbraw/zinc/54/34/43/1074543443.db2.gz OUZJXZRYMCSXHA-HNNXBMFYSA-N 1 2 447.565 -0.105 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001464953315 1074543431 /nfs/dbraw/zinc/54/34/31/1074543431.db2.gz OUZJXZRYMCSXHA-OAHLLOKOSA-N 1 2 447.565 -0.105 20 0 IBADLO O=C(CCN1C(=O)CCNC1=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001464953315 1074543426 /nfs/dbraw/zinc/54/34/26/1074543426.db2.gz OUZJXZRYMCSXHA-OAHLLOKOSA-N 1 2 447.565 -0.105 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001465371831 1074546137 /nfs/dbraw/zinc/54/61/37/1074546137.db2.gz UQWYVTNALQLSJO-KRWDZBQOSA-N 1 2 426.543 -0.464 20 0 IBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001465371831 1074546133 /nfs/dbraw/zinc/54/61/33/1074546133.db2.gz UQWYVTNALQLSJO-KRWDZBQOSA-N 1 2 426.543 -0.464 20 0 IBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001465371832 1074546231 /nfs/dbraw/zinc/54/62/31/1074546231.db2.gz UQWYVTNALQLSJO-QGZVFWFLSA-N 1 2 426.543 -0.464 20 0 IBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001465371832 1074546226 /nfs/dbraw/zinc/54/62/26/1074546226.db2.gz UQWYVTNALQLSJO-QGZVFWFLSA-N 1 2 426.543 -0.464 20 0 IBADLO NS(=O)(=O)c1ccc(OCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465378587 1074546209 /nfs/dbraw/zinc/54/62/09/1074546209.db2.gz XFZSMEHCGRVEGW-HNNXBMFYSA-N 1 2 440.522 -0.848 20 0 IBADLO NS(=O)(=O)c1ccc(OCCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465378588 1074546248 /nfs/dbraw/zinc/54/62/48/1074546248.db2.gz XFZSMEHCGRVEGW-OAHLLOKOSA-N 1 2 440.522 -0.848 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379180 1074546533 /nfs/dbraw/zinc/54/65/33/1074546533.db2.gz IWJOCWBAWKEMFJ-BBWFWOEESA-N 1 2 440.541 -0.035 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379181 1074546546 /nfs/dbraw/zinc/54/65/46/1074546546.db2.gz IWJOCWBAWKEMFJ-IKGGRYGDSA-N 1 2 440.541 -0.035 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379182 1074546559 /nfs/dbraw/zinc/54/65/59/1074546559.db2.gz IWJOCWBAWKEMFJ-ULQDDVLXSA-N 1 2 440.541 -0.035 20 0 IBADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001465379183 1074546569 /nfs/dbraw/zinc/54/65/69/1074546569.db2.gz IWJOCWBAWKEMFJ-ZACQAIPSSA-N 1 2 440.541 -0.035 20 0 IBADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001465396489 1074547854 /nfs/dbraw/zinc/54/78/54/1074547854.db2.gz HQVNCNZXCGQUJK-SFHVURJKSA-N 1 2 443.508 -0.017 20 0 IBADLO C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001465398000 1074547900 /nfs/dbraw/zinc/54/79/00/1074547900.db2.gz GXFPWEXWZOVWEF-INIZCTEOSA-N 1 2 435.529 -0.110 20 0 IBADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001465398001 1074547920 /nfs/dbraw/zinc/54/79/20/1074547920.db2.gz GXFPWEXWZOVWEF-MRXNPFEDSA-N 1 2 435.529 -0.110 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001465702050 1074549336 /nfs/dbraw/zinc/54/93/36/1074549336.db2.gz DJNAGAHKGUZJLC-HNNXBMFYSA-N 1 2 447.579 -0.341 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001465702051 1074549513 /nfs/dbraw/zinc/54/95/13/1074549513.db2.gz DJNAGAHKGUZJLC-OAHLLOKOSA-N 1 2 447.579 -0.341 20 0 IBADLO O=C(Cn1cc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)cn1)N1CCOCC1 ZINC001465752977 1074549971 /nfs/dbraw/zinc/54/99/71/1074549971.db2.gz MPQQPHLBWTYZMM-UHFFFAOYSA-N 1 2 428.497 -0.076 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)[C@H]1c1nccn1C ZINC001465853076 1074550271 /nfs/dbraw/zinc/55/02/71/1074550271.db2.gz WSLICYFYYICDGX-NEWSRXKRSA-N 1 2 435.525 -0.342 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)[C@H]1c1nccn1C ZINC001465853077 1074550283 /nfs/dbraw/zinc/55/02/83/1074550283.db2.gz WSLICYFYYICDGX-WDSOQIARSA-N 1 2 435.525 -0.342 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001466305701 1074551748 /nfs/dbraw/zinc/55/17/48/1074551748.db2.gz UPSBHLBCLHBJTB-CXAGYDPISA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001466305705 1074551777 /nfs/dbraw/zinc/55/17/77/1074551777.db2.gz UPSBHLBCLHBJTB-DYVFJYSZSA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001466305706 1074551634 /nfs/dbraw/zinc/55/16/34/1074551634.db2.gz UPSBHLBCLHBJTB-GUYCJALGSA-N 1 2 425.507 -0.145 20 0 IBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001466305709 1074551793 /nfs/dbraw/zinc/55/17/93/1074551793.db2.gz UPSBHLBCLHBJTB-SUMWQHHRSA-N 1 2 425.507 -0.145 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](Cn2ccnn2)C1 ZINC001467645486 1074557138 /nfs/dbraw/zinc/55/71/38/1074557138.db2.gz AVVMTZZHIZRGSB-KRWDZBQOSA-N 1 2 448.553 -0.143 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001467645488 1074556975 /nfs/dbraw/zinc/55/69/75/1074556975.db2.gz AVVMTZZHIZRGSB-QGZVFWFLSA-N 1 2 448.553 -0.143 20 0 IBADLO CON(C)C(=O)[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467646088 1074557173 /nfs/dbraw/zinc/55/71/73/1074557173.db2.gz FJGFQROIGQQVKO-CQSZACIVSA-N 1 2 428.515 -0.759 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](O)C(F)(F)C1 ZINC001467646467 1074557204 /nfs/dbraw/zinc/55/72/04/1074557204.db2.gz HFURNSHCSKTTED-AWEZNQCLSA-N 1 2 433.481 -0.055 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](O)C(F)(F)C1 ZINC001467646468 1074557124 /nfs/dbraw/zinc/55/71/24/1074557124.db2.gz HFURNSHCSKTTED-CQSZACIVSA-N 1 2 433.481 -0.055 20 0 IBADLO CCO[C@@H]1COC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467646469 1074557084 /nfs/dbraw/zinc/55/70/84/1074557084.db2.gz HHDOMBWNFFQAGF-HZPDHXFCSA-N 1 2 427.527 -0.364 20 0 IBADLO C[C@@H](O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646470 1074557723 /nfs/dbraw/zinc/55/77/23/1074557723.db2.gz HHMGZRRYTZJBFE-CVEARBPZSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@H](O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646471 1074557647 /nfs/dbraw/zinc/55/76/47/1074557647.db2.gz HHMGZRRYTZJBFE-HOTGVXAUSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@@H](O)[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646472 1074557519 /nfs/dbraw/zinc/55/75/19/1074557519.db2.gz HHMGZRRYTZJBFE-HZPDHXFCSA-N 1 2 427.527 -0.675 20 0 IBADLO C[C@H](O)[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001467646473 1074557562 /nfs/dbraw/zinc/55/75/62/1074557562.db2.gz HHMGZRRYTZJBFE-JKSUJKDBSA-N 1 2 427.527 -0.675 20 0 IBADLO COC[C@H]1C[C@@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467646507 1074557749 /nfs/dbraw/zinc/55/77/49/1074557749.db2.gz IEAMXKUFARZBGP-HZPDHXFCSA-N 1 2 427.527 -0.675 20 0 IBADLO CO[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@](C)(CO)C1 ZINC001467646552 1074557614 /nfs/dbraw/zinc/55/76/14/1074557614.db2.gz JVYOLBFJDZOOAI-APWZRJJASA-N 1 2 441.554 -0.285 20 0 IBADLO CO[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@](C)(CO)C1 ZINC001467646553 1074557549 /nfs/dbraw/zinc/55/75/49/1074557549.db2.gz JVYOLBFJDZOOAI-LPHOPBHVSA-N 1 2 441.554 -0.285 20 0 IBADLO CO[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@](C)(CO)C1 ZINC001467646554 1074557599 /nfs/dbraw/zinc/55/75/99/1074557599.db2.gz JVYOLBFJDZOOAI-QFBILLFUSA-N 1 2 441.554 -0.285 20 0 IBADLO CO[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@](C)(CO)C1 ZINC001467646555 1074557630 /nfs/dbraw/zinc/55/76/30/1074557630.db2.gz JVYOLBFJDZOOAI-VQIMIIECSA-N 1 2 441.554 -0.285 20 0 IBADLO CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001467646707 1074557710 /nfs/dbraw/zinc/55/77/10/1074557710.db2.gz KJZXWFQQVWYUPE-INIZCTEOSA-N 1 2 438.554 -0.157 20 0 IBADLO CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001467646710 1074557682 /nfs/dbraw/zinc/55/76/82/1074557682.db2.gz KJZXWFQQVWYUPE-MRXNPFEDSA-N 1 2 438.554 -0.157 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)[C@@H]1CCCO1 ZINC001467646973 1074557785 /nfs/dbraw/zinc/55/77/85/1074557785.db2.gz NLTBLYAXUGADMC-CVEARBPZSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)[C@@H]1CCCO1 ZINC001467646974 1074557733 /nfs/dbraw/zinc/55/77/33/1074557733.db2.gz NLTBLYAXUGADMC-HOTGVXAUSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)[C@H]1CCCO1 ZINC001467646975 1074557665 /nfs/dbraw/zinc/55/76/65/1074557665.db2.gz NLTBLYAXUGADMC-HZPDHXFCSA-N 1 2 427.527 -0.628 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)[C@H]1CCCO1 ZINC001467646977 1074557762 /nfs/dbraw/zinc/55/77/62/1074557762.db2.gz NLTBLYAXUGADMC-JKSUJKDBSA-N 1 2 427.527 -0.628 20 0 IBADLO CCON(C)C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647027 1074557697 /nfs/dbraw/zinc/55/76/97/1074557697.db2.gz PUILSNOFCQEDHE-UHFFFAOYSA-N 1 2 428.515 -0.758 20 0 IBADLO CCN(CCC(=O)NC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647055 1074557583 /nfs/dbraw/zinc/55/75/83/1074557583.db2.gz QKIUFZVXFYWPFR-UHFFFAOYSA-N 1 2 426.543 -0.299 20 0 IBADLO CC1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC001467647290 1074557535 /nfs/dbraw/zinc/55/75/35/1074557535.db2.gz SAJHOTIFXISIHU-INIZCTEOSA-N 1 2 441.554 -0.285 20 0 IBADLO CC1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC001467647292 1074557774 /nfs/dbraw/zinc/55/77/74/1074557774.db2.gz SAJHOTIFXISIHU-MRXNPFEDSA-N 1 2 441.554 -0.285 20 0 IBADLO O=C(NCCS(=O)(=O)C1CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647344 1074557799 /nfs/dbraw/zinc/55/77/99/1074557799.db2.gz UIANSXWLYXMUTK-UHFFFAOYSA-N 1 2 445.567 -0.590 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN2C(=O)N=NC2C1 ZINC001467647788 1074558009 /nfs/dbraw/zinc/55/80/09/1074558009.db2.gz XBAYVOFRVHWIQI-UHFFFAOYSA-N 1 2 436.498 -0.944 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467811266 1074559026 /nfs/dbraw/zinc/55/90/26/1074559026.db2.gz IXAJIZWFCJTJBE-CABCVRRESA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467811266 1074559022 /nfs/dbraw/zinc/55/90/22/1074559022.db2.gz IXAJIZWFCJTJBE-CABCVRRESA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467811268 1074559218 /nfs/dbraw/zinc/55/92/18/1074559218.db2.gz IXAJIZWFCJTJBE-GJZGRUSLSA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467811268 1074559211 /nfs/dbraw/zinc/55/92/11/1074559211.db2.gz IXAJIZWFCJTJBE-GJZGRUSLSA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467811269 1074558962 /nfs/dbraw/zinc/55/89/62/1074558962.db2.gz IXAJIZWFCJTJBE-HUUCEWRRSA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467811269 1074558956 /nfs/dbraw/zinc/55/89/56/1074558956.db2.gz IXAJIZWFCJTJBE-HUUCEWRRSA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467811270 1074559066 /nfs/dbraw/zinc/55/90/66/1074559066.db2.gz IXAJIZWFCJTJBE-LSDHHAIUSA-N 1 2 430.548 -0.214 20 0 IBADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467811270 1074559058 /nfs/dbraw/zinc/55/90/58/1074559058.db2.gz IXAJIZWFCJTJBE-LSDHHAIUSA-N 1 2 430.548 -0.214 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)[C@H]1c1nccn1C ZINC001467891547 1074559952 /nfs/dbraw/zinc/55/99/52/1074559952.db2.gz NJBHKBDXLOZFCV-CCKFTAQKSA-N 1 2 430.509 -0.121 20 0 IBADLO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)[C@H]1c1nccn1C ZINC001467891551 1074559984 /nfs/dbraw/zinc/55/99/84/1074559984.db2.gz NJBHKBDXLOZFCV-JVPBZIDWSA-N 1 2 430.509 -0.121 20 0 IBADLO COc1c[nH]c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1=O ZINC001467900613 1074560124 /nfs/dbraw/zinc/56/01/24/1074560124.db2.gz HJTVQGCWZOMPQY-AWEZNQCLSA-N 1 2 428.493 -0.040 20 0 IBADLO COc1c[nH]c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1=O ZINC001467900632 1074560153 /nfs/dbraw/zinc/56/01/53/1074560153.db2.gz HJTVQGCWZOMPQY-CQSZACIVSA-N 1 2 428.493 -0.040 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@]2(C)CCCS2(=O)=O)CC3)CC1 ZINC001467901431 1074559932 /nfs/dbraw/zinc/55/99/32/1074559932.db2.gz PVBSCWAQMKSNAD-FOIQADDNSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@]2(C)CCCS2(=O)=O)CC3)CC1 ZINC001467901432 1074560049 /nfs/dbraw/zinc/56/00/49/1074560049.db2.gz PVBSCWAQMKSNAD-MGPUTAFESA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@]2(C)CCCS2(=O)=O)CC3)CC1 ZINC001467901433 1074560033 /nfs/dbraw/zinc/56/00/33/1074560033.db2.gz PVBSCWAQMKSNAD-QRWLVFNGSA-N 1 2 437.566 -0.083 20 0 IBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@]2(C)CCCS2(=O)=O)CC3)CC1 ZINC001467901434 1074559962 /nfs/dbraw/zinc/55/99/62/1074559962.db2.gz PVBSCWAQMKSNAD-YWZLYKJASA-N 1 2 437.566 -0.083 20 0 IBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001467969192 1074560510 /nfs/dbraw/zinc/56/05/10/1074560510.db2.gz UQQZDRPQYHTTOH-GOSISDBHSA-N 1 2 426.539 -0.022 20 0 IBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001467969193 1074560592 /nfs/dbraw/zinc/56/05/92/1074560592.db2.gz UQQZDRPQYHTTOH-SFHVURJKSA-N 1 2 426.539 -0.022 20 0 IBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001468119057 1074562701 /nfs/dbraw/zinc/56/27/01/1074562701.db2.gz HVEWPXHGPGLLIH-CBZIJGRNSA-N 1 2 427.498 -0.071 20 0 IBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001468119057 1074562696 /nfs/dbraw/zinc/56/26/96/1074562696.db2.gz HVEWPXHGPGLLIH-CBZIJGRNSA-N 1 2 427.498 -0.071 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001468181197 1074563092 /nfs/dbraw/zinc/56/30/92/1074563092.db2.gz IHFLPRAUNSZGHC-KRWDZBQOSA-N 1 2 436.534 -0.256 20 0 IBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001468181198 1074563074 /nfs/dbraw/zinc/56/30/74/1074563074.db2.gz IHFLPRAUNSZGHC-QGZVFWFLSA-N 1 2 436.534 -0.256 20 0 IBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001468262119 1074563435 /nfs/dbraw/zinc/56/34/35/1074563435.db2.gz ZNGQVBFFOCUCFT-IBGZPJMESA-N 1 2 427.571 -0.426 20 0 IBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001468262120 1074563446 /nfs/dbraw/zinc/56/34/46/1074563446.db2.gz ZNGQVBFFOCUCFT-LJQANCHMSA-N 1 2 427.571 -0.426 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@]12COCCN1C(=O)COC2 ZINC001468285387 1074563535 /nfs/dbraw/zinc/56/35/35/1074563535.db2.gz AAJYLEXNHNZMMK-JOCHJYFZSA-N 1 2 448.520 -0.175 20 0 IBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@]12COCCN1C(=O)COC2 ZINC001468285388 1074564014 /nfs/dbraw/zinc/56/40/14/1074564014.db2.gz AAJYLEXNHNZMMK-QFIPXVFZSA-N 1 2 448.520 -0.175 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001468310674 1074563997 /nfs/dbraw/zinc/56/39/97/1074563997.db2.gz WTVJNSBHSLKLGO-KRWDZBQOSA-N 1 2 439.538 -0.559 20 0 IBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001468310684 1074563983 /nfs/dbraw/zinc/56/39/83/1074563983.db2.gz WTVJNSBHSLKLGO-QGZVFWFLSA-N 1 2 439.538 -0.559 20 0 IBADLO COC(OC)C(=O)N1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001468362546 1074564322 /nfs/dbraw/zinc/56/43/22/1074564322.db2.gz CGDTYRXFGFJNBI-UHFFFAOYSA-N 1 2 448.524 -0.407 20 0 IBADLO CCn1cc(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]c1=O ZINC001468363251 1074564283 /nfs/dbraw/zinc/56/42/83/1074564283.db2.gz LKMHOVDKIZLZND-UHFFFAOYSA-N 1 2 429.481 -0.098 20 0 IBADLO CS(=O)(=O)NC[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001468363732 1074564526 /nfs/dbraw/zinc/56/45/26/1074564526.db2.gz QAEKKRPZLNPXEO-INIZCTEOSA-N 1 2 438.554 -0.299 20 0 IBADLO CS(=O)(=O)NC[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001468363733 1074564306 /nfs/dbraw/zinc/56/43/06/1074564306.db2.gz QAEKKRPZLNPXEO-MRXNPFEDSA-N 1 2 438.554 -0.299 20 0 IBADLO O=C(NCCn1cc(Br)ccc1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001468495577 1074565329 /nfs/dbraw/zinc/56/53/29/1074565329.db2.gz HMLPXWFXPBKYSZ-AWEZNQCLSA-N 1 2 441.326 -0.092 20 0 IBADLO O=C(NCCn1cc(Br)ccc1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001468495579 1074565478 /nfs/dbraw/zinc/56/54/78/1074565478.db2.gz HMLPXWFXPBKYSZ-CQSZACIVSA-N 1 2 441.326 -0.092 20 0 IBADLO COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001468512597 1074565295 /nfs/dbraw/zinc/56/52/95/1074565295.db2.gz NVKBCTDDFPOZBR-CABCVRRESA-N 1 2 434.559 -0.008 20 0 IBADLO COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001468512597 1074565288 /nfs/dbraw/zinc/56/52/88/1074565288.db2.gz NVKBCTDDFPOZBR-CABCVRRESA-N 1 2 434.559 -0.008 20 0 IBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CCS(=O)(=O)CC1 ZINC001468607969 1074566308 /nfs/dbraw/zinc/56/63/08/1074566308.db2.gz MZXURHWRAIHFPN-UHFFFAOYSA-N 1 2 436.534 -0.597 20 0 IBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CCS(=O)(=O)CC1 ZINC001468607969 1074566306 /nfs/dbraw/zinc/56/63/06/1074566306.db2.gz MZXURHWRAIHFPN-UHFFFAOYSA-N 1 2 436.534 -0.597 20 0 IBADLO CO[C@@]1(C(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001468607996 1074566218 /nfs/dbraw/zinc/56/62/18/1074566218.db2.gz NVQBHILDTSVHDU-FQEVSTJZSA-N 1 2 437.518 -0.124 20 0 IBADLO CO[C@@]1(C(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001468607996 1074566211 /nfs/dbraw/zinc/56/62/11/1074566211.db2.gz NVQBHILDTSVHDU-FQEVSTJZSA-N 1 2 437.518 -0.124 20 0 IBADLO CO[C@]1(C(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001468607997 1074566420 /nfs/dbraw/zinc/56/64/20/1074566420.db2.gz NVQBHILDTSVHDU-HXUWFJFHSA-N 1 2 437.518 -0.124 20 0 IBADLO CO[C@]1(C(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001468607997 1074566416 /nfs/dbraw/zinc/56/64/16/1074566416.db2.gz NVQBHILDTSVHDU-HXUWFJFHSA-N 1 2 437.518 -0.124 20 0 IBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001468635922 1074566235 /nfs/dbraw/zinc/56/62/35/1074566235.db2.gz HNMLTKXLPJXRGH-UHFFFAOYSA-N 1 2 436.600 -0.295 20 0 IBADLO O=C(NCCN1CCNC1=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468663502 1074566906 /nfs/dbraw/zinc/56/69/06/1074566906.db2.gz IOQGIAZTCBQTOE-HNNXBMFYSA-N 1 2 434.570 -0.229 20 0 IBADLO O=C(NCCN1CCNC1=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468663502 1074566902 /nfs/dbraw/zinc/56/69/02/1074566902.db2.gz IOQGIAZTCBQTOE-HNNXBMFYSA-N 1 2 434.570 -0.229 20 0 IBADLO O=C(NCCN1CCNC1=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468663503 1074566965 /nfs/dbraw/zinc/56/69/65/1074566965.db2.gz IOQGIAZTCBQTOE-OAHLLOKOSA-N 1 2 434.570 -0.229 20 0 IBADLO O=C(NCCN1CCNC1=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468663503 1074566961 /nfs/dbraw/zinc/56/69/61/1074566961.db2.gz IOQGIAZTCBQTOE-OAHLLOKOSA-N 1 2 434.570 -0.229 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001468973217 1074570952 /nfs/dbraw/zinc/57/09/52/1074570952.db2.gz SCVNPHAOWYQNGB-CABCVRRESA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001468973217 1074570949 /nfs/dbraw/zinc/57/09/49/1074570949.db2.gz SCVNPHAOWYQNGB-CABCVRRESA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@@H](C)CO1 ZINC001468973221 1074570918 /nfs/dbraw/zinc/57/09/18/1074570918.db2.gz SCVNPHAOWYQNGB-GJZGRUSLSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@@H](C)CO1 ZINC001468973221 1074570913 /nfs/dbraw/zinc/57/09/13/1074570913.db2.gz SCVNPHAOWYQNGB-GJZGRUSLSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@H](C)CO1 ZINC001468973224 1074570896 /nfs/dbraw/zinc/57/08/96/1074570896.db2.gz SCVNPHAOWYQNGB-HUUCEWRRSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@H](C)CO1 ZINC001468973224 1074570890 /nfs/dbraw/zinc/57/08/90/1074570890.db2.gz SCVNPHAOWYQNGB-HUUCEWRRSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@@H](C)CO1 ZINC001468973226 1074571363 /nfs/dbraw/zinc/57/13/63/1074571363.db2.gz SCVNPHAOWYQNGB-LSDHHAIUSA-N 1 2 428.559 -0.018 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@@H](C)CO1 ZINC001468973226 1074571354 /nfs/dbraw/zinc/57/13/54/1074571354.db2.gz SCVNPHAOWYQNGB-LSDHHAIUSA-N 1 2 428.559 -0.018 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001468986498 1074571270 /nfs/dbraw/zinc/57/12/70/1074571270.db2.gz QLYQKRDKNAEWCQ-KRWDZBQOSA-N 1 2 449.957 -0.215 20 0 IBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001468986511 1074571444 /nfs/dbraw/zinc/57/14/44/1074571444.db2.gz QLYQKRDKNAEWCQ-QGZVFWFLSA-N 1 2 449.957 -0.215 20 0 IBADLO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001469186685 1074572730 /nfs/dbraw/zinc/57/27/30/1074572730.db2.gz OWBMKWPDBXIGDF-INIZCTEOSA-N 1 2 431.493 -0.209 20 0 IBADLO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001469186687 1074572610 /nfs/dbraw/zinc/57/26/10/1074572610.db2.gz OWBMKWPDBXIGDF-MRXNPFEDSA-N 1 2 431.493 -0.209 20 0 IBADLO O=C(CCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001469412105 1074574612 /nfs/dbraw/zinc/57/46/12/1074574612.db2.gz VUJMSCZTQJNUAB-FQEVSTJZSA-N 1 2 436.534 -0.074 20 0 IBADLO O=C(CCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001469412108 1074574532 /nfs/dbraw/zinc/57/45/32/1074574532.db2.gz VUJMSCZTQJNUAB-HXUWFJFHSA-N 1 2 436.534 -0.074 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001469739815 1074575483 /nfs/dbraw/zinc/57/54/83/1074575483.db2.gz ZSEPEPLLRLZMEA-IBGZPJMESA-N 1 2 432.587 -0.037 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001469739815 1074575472 /nfs/dbraw/zinc/57/54/72/1074575472.db2.gz ZSEPEPLLRLZMEA-IBGZPJMESA-N 1 2 432.587 -0.037 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001469739817 1074575535 /nfs/dbraw/zinc/57/55/35/1074575535.db2.gz ZSEPEPLLRLZMEA-LJQANCHMSA-N 1 2 432.587 -0.037 20 0 IBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001469739817 1074575527 /nfs/dbraw/zinc/57/55/27/1074575527.db2.gz ZSEPEPLLRLZMEA-LJQANCHMSA-N 1 2 432.587 -0.037 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001470003118 1074578974 /nfs/dbraw/zinc/57/89/74/1074578974.db2.gz VAQWRBANJUJNNV-CABCVRRESA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001470003118 1074578970 /nfs/dbraw/zinc/57/89/70/1074578970.db2.gz VAQWRBANJUJNNV-CABCVRRESA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CO1 ZINC001470003119 1074578900 /nfs/dbraw/zinc/57/89/00/1074578900.db2.gz VAQWRBANJUJNNV-GJZGRUSLSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CO1 ZINC001470003119 1074578895 /nfs/dbraw/zinc/57/88/95/1074578895.db2.gz VAQWRBANJUJNNV-GJZGRUSLSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)CO1 ZINC001470003120 1074578947 /nfs/dbraw/zinc/57/89/47/1074578947.db2.gz VAQWRBANJUJNNV-HUUCEWRRSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)CO1 ZINC001470003120 1074578941 /nfs/dbraw/zinc/57/89/41/1074578941.db2.gz VAQWRBANJUJNNV-HUUCEWRRSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CO1 ZINC001470003121 1074578881 /nfs/dbraw/zinc/57/88/81/1074578881.db2.gz VAQWRBANJUJNNV-LSDHHAIUSA-N 1 2 426.539 -0.108 20 0 IBADLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)CO1 ZINC001470003121 1074578875 /nfs/dbraw/zinc/57/88/75/1074578875.db2.gz VAQWRBANJUJNNV-LSDHHAIUSA-N 1 2 426.539 -0.108 20 0 IBADLO CN1C[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224736 1074580979 /nfs/dbraw/zinc/58/09/79/1074580979.db2.gz DAKHAWMQOMWDFN-BTYIYWSLSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224736 1074580969 /nfs/dbraw/zinc/58/09/69/1074580969.db2.gz DAKHAWMQOMWDFN-BTYIYWSLSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224738 1074580895 /nfs/dbraw/zinc/58/08/95/1074580895.db2.gz DAKHAWMQOMWDFN-QVKFZJNVSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224738 1074580889 /nfs/dbraw/zinc/58/08/89/1074580889.db2.gz DAKHAWMQOMWDFN-QVKFZJNVSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224740 1074580852 /nfs/dbraw/zinc/58/08/52/1074580852.db2.gz DAKHAWMQOMWDFN-VFNWGFHPSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224740 1074580849 /nfs/dbraw/zinc/58/08/49/1074580849.db2.gz DAKHAWMQOMWDFN-VFNWGFHPSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224742 1074581019 /nfs/dbraw/zinc/58/10/19/1074581019.db2.gz DAKHAWMQOMWDFN-YCRPNKLZSA-N 1 2 440.541 -0.204 20 0 IBADLO CN1C[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)N(C(=O)OC(C)(C)C)CC1=O ZINC001470224742 1074581010 /nfs/dbraw/zinc/58/10/10/1074581010.db2.gz DAKHAWMQOMWDFN-YCRPNKLZSA-N 1 2 440.541 -0.204 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001470226070 1074580874 /nfs/dbraw/zinc/58/08/74/1074580874.db2.gz OZVXCDRVYNUELO-FQEVSTJZSA-N 1 2 439.534 -0.101 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001470226070 1074580869 /nfs/dbraw/zinc/58/08/69/1074580869.db2.gz OZVXCDRVYNUELO-FQEVSTJZSA-N 1 2 439.534 -0.101 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001470226071 1074581084 /nfs/dbraw/zinc/58/10/84/1074581084.db2.gz OZVXCDRVYNUELO-HXUWFJFHSA-N 1 2 439.534 -0.101 20 0 IBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001470226071 1074581075 /nfs/dbraw/zinc/58/10/75/1074581075.db2.gz OZVXCDRVYNUELO-HXUWFJFHSA-N 1 2 439.534 -0.101 20 0 IBADLO NS(=O)(=O)c1ccc(OCCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001470326547 1074582637 /nfs/dbraw/zinc/58/26/37/1074582637.db2.gz BAGWJYKETHFVOI-UHFFFAOYSA-N 1 2 434.522 -0.169 20 0 IBADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001470327386 1074582932 /nfs/dbraw/zinc/58/29/32/1074582932.db2.gz KAGTWGSQRFOSMP-KRWDZBQOSA-N 1 2 443.483 -0.472 20 0 IBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001470327389 1074582918 /nfs/dbraw/zinc/58/29/18/1074582918.db2.gz KAGTWGSQRFOSMP-QGZVFWFLSA-N 1 2 443.483 -0.472 20 0 IBADLO NS(=O)(=O)CCCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001470329094 1074582957 /nfs/dbraw/zinc/58/29/57/1074582957.db2.gz SPIRAKDOGOFLEC-UHFFFAOYSA-N 1 2 427.531 -0.787 20 0 IBADLO NS(=O)(=O)CCCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001470329094 1074582949 /nfs/dbraw/zinc/58/29/49/1074582949.db2.gz SPIRAKDOGOFLEC-UHFFFAOYSA-N 1 2 427.531 -0.787 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001470335823 1074583000 /nfs/dbraw/zinc/58/30/00/1074583000.db2.gz PEIGKUQGDNAYBR-UHFFFAOYSA-N 1 2 425.507 -0.114 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001470335823 1074582992 /nfs/dbraw/zinc/58/29/92/1074582992.db2.gz PEIGKUQGDNAYBR-UHFFFAOYSA-N 1 2 425.507 -0.114 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2=O)c1 ZINC001470338416 1074582883 /nfs/dbraw/zinc/58/28/83/1074582883.db2.gz JTHXXOUATUCUOZ-AWEZNQCLSA-N 1 2 438.506 -0.748 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2=O)c1 ZINC001470338416 1074582879 /nfs/dbraw/zinc/58/28/79/1074582879.db2.gz JTHXXOUATUCUOZ-AWEZNQCLSA-N 1 2 438.506 -0.748 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2=O)c1 ZINC001470338417 1074583027 /nfs/dbraw/zinc/58/30/27/1074583027.db2.gz JTHXXOUATUCUOZ-CQSZACIVSA-N 1 2 438.506 -0.748 20 0 IBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2=O)c1 ZINC001470338417 1074583022 /nfs/dbraw/zinc/58/30/22/1074583022.db2.gz JTHXXOUATUCUOZ-CQSZACIVSA-N 1 2 438.506 -0.748 20 0 IBADLO CCS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001470509572 1074584089 /nfs/dbraw/zinc/58/40/89/1074584089.db2.gz MRXLPZCDQQKMLC-UHFFFAOYSA-N 1 2 426.543 -0.030 20 0 IBADLO CCS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001470509572 1074584083 /nfs/dbraw/zinc/58/40/83/1074584083.db2.gz MRXLPZCDQQKMLC-UHFFFAOYSA-N 1 2 426.543 -0.030 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](CO)c3c[nH+]cn3C)c2)CC1 ZINC001470569780 1074584220 /nfs/dbraw/zinc/58/42/20/1074584220.db2.gz KRFYLZRQOUCPSH-KRWDZBQOSA-N 1 2 435.506 -0.264 20 0 IBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](CO)c3c[nH+]cn3C)c2)CC1 ZINC001470569783 1074584561 /nfs/dbraw/zinc/58/45/61/1074584561.db2.gz KRFYLZRQOUCPSH-QGZVFWFLSA-N 1 2 435.506 -0.264 20 0 IBADLO COc1c(F)cc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC001470684809 1074585915 /nfs/dbraw/zinc/58/59/15/1074585915.db2.gz DQVDPZPFYDPPTK-AWEZNQCLSA-N 1 2 431.486 -0.416 20 0 IBADLO COc1c(F)cc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC001470684814 1074585971 /nfs/dbraw/zinc/58/59/71/1074585971.db2.gz DQVDPZPFYDPPTK-CQSZACIVSA-N 1 2 431.486 -0.416 20 0 IBADLO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470685324 1074586006 /nfs/dbraw/zinc/58/60/06/1074586006.db2.gz JDCAMZBGSZPOBV-PBHICJAKSA-N 1 2 438.912 -0.127 20 0 IBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470685326 1074585945 /nfs/dbraw/zinc/58/59/45/1074585945.db2.gz JDCAMZBGSZPOBV-RHSMWYFYSA-N 1 2 438.912 -0.127 20 0 IBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470685327 1074585988 /nfs/dbraw/zinc/58/59/88/1074585988.db2.gz JDCAMZBGSZPOBV-WMLDXEAASA-N 1 2 438.912 -0.127 20 0 IBADLO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470685328 1074586290 /nfs/dbraw/zinc/58/62/90/1074586290.db2.gz JDCAMZBGSZPOBV-YOEHRIQHSA-N 1 2 438.912 -0.127 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001470781256 1074587360 /nfs/dbraw/zinc/58/73/60/1074587360.db2.gz JFXNHXKCDPLIJZ-AWEZNQCLSA-N 1 2 444.330 -0.092 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001470781257 1074587456 /nfs/dbraw/zinc/58/74/56/1074587456.db2.gz JFXNHXKCDPLIJZ-CQSZACIVSA-N 1 2 444.330 -0.092 20 0 IBADLO COC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC001470782667 1074587310 /nfs/dbraw/zinc/58/73/10/1074587310.db2.gz PGAIHJFKLOZGFK-KRWDZBQOSA-N 1 2 433.575 -0.753 20 0 IBADLO COC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC001470782674 1074587378 /nfs/dbraw/zinc/58/73/78/1074587378.db2.gz PGAIHJFKLOZGFK-QGZVFWFLSA-N 1 2 433.575 -0.753 20 0 IBADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001470844809 1074588149 /nfs/dbraw/zinc/58/81/49/1074588149.db2.gz QFRHYXXDGVFZMO-GOEBONIOSA-N 1 2 427.523 -0.589 20 0 IBADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001470844809 1074588140 /nfs/dbraw/zinc/58/81/40/1074588140.db2.gz QFRHYXXDGVFZMO-GOEBONIOSA-N 1 2 427.523 -0.589 20 0 IBADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001470844810 1074588121 /nfs/dbraw/zinc/58/81/21/1074588121.db2.gz QFRHYXXDGVFZMO-HOCLYGCPSA-N 1 2 427.523 -0.589 20 0 IBADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001470844810 1074588110 /nfs/dbraw/zinc/58/81/10/1074588110.db2.gz QFRHYXXDGVFZMO-HOCLYGCPSA-N 1 2 427.523 -0.589 20 0 IBADLO Cn1cc([C@H]2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC[NH2+]2)cn1 ZINC001470881895 1074588922 /nfs/dbraw/zinc/58/89/22/1074588922.db2.gz VHAWHHHVXNAULT-CVEARBPZSA-N 1 2 427.914 -0.114 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC[NH2+]2)cn1 ZINC001470881897 1074588821 /nfs/dbraw/zinc/58/88/21/1074588821.db2.gz VHAWHHHVXNAULT-HOTGVXAUSA-N 1 2 427.914 -0.114 20 0 IBADLO Cn1cc([C@H]2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC[NH2+]2)cn1 ZINC001470881899 1074588970 /nfs/dbraw/zinc/58/89/70/1074588970.db2.gz VHAWHHHVXNAULT-HZPDHXFCSA-N 1 2 427.914 -0.114 20 0 IBADLO Cn1cc([C@@H]2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC[NH2+]2)cn1 ZINC001470881901 1074588858 /nfs/dbraw/zinc/58/88/58/1074588858.db2.gz VHAWHHHVXNAULT-JKSUJKDBSA-N 1 2 427.914 -0.114 20 0 IBADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)c1 ZINC001470964994 1074589398 /nfs/dbraw/zinc/58/93/98/1074589398.db2.gz JYFFLDKTKWPIER-UHFFFAOYSA-N 1 2 441.554 -0.108 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001470965774 1074589435 /nfs/dbraw/zinc/58/94/35/1074589435.db2.gz YEUKMXRTLSPWPT-AWEZNQCLSA-N 1 2 434.563 -0.673 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001470965774 1074589430 /nfs/dbraw/zinc/58/94/30/1074589430.db2.gz YEUKMXRTLSPWPT-AWEZNQCLSA-N 1 2 434.563 -0.673 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001470965777 1074589462 /nfs/dbraw/zinc/58/94/62/1074589462.db2.gz YEUKMXRTLSPWPT-CQSZACIVSA-N 1 2 434.563 -0.673 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001470965777 1074589455 /nfs/dbraw/zinc/58/94/55/1074589455.db2.gz YEUKMXRTLSPWPT-CQSZACIVSA-N 1 2 434.563 -0.673 20 0 IBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)c1cccnc1 ZINC001471076676 1074590688 /nfs/dbraw/zinc/59/06/88/1074590688.db2.gz VHXWOBFYSMCWES-BHIYHBOVSA-N 1 2 434.493 -0.656 20 0 IBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)c1cccnc1 ZINC001471076679 1074590829 /nfs/dbraw/zinc/59/08/29/1074590829.db2.gz VHXWOBFYSMCWES-QRQLOZEOSA-N 1 2 434.493 -0.656 20 0 IBADLO CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)c1cccnc1 ZINC001471076681 1074590771 /nfs/dbraw/zinc/59/07/71/1074590771.db2.gz VHXWOBFYSMCWES-QXAKKESOSA-N 1 2 434.493 -0.656 20 0 IBADLO CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)c1cccnc1 ZINC001471076683 1074590731 /nfs/dbraw/zinc/59/07/31/1074590731.db2.gz VHXWOBFYSMCWES-UHOSZYNNSA-N 1 2 434.493 -0.656 20 0 IBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001471204636 1074592903 /nfs/dbraw/zinc/59/29/03/1074592903.db2.gz RRXGZLOBJMYQRH-AWEZNQCLSA-N 1 2 448.528 -0.142 20 0 IBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001471204637 1074592961 /nfs/dbraw/zinc/59/29/61/1074592961.db2.gz RRXGZLOBJMYQRH-CQSZACIVSA-N 1 2 448.528 -0.142 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)CC1 ZINC001471235713 1074593496 /nfs/dbraw/zinc/59/34/96/1074593496.db2.gz RFSGLZKYAMFJKN-IBGZPJMESA-N 1 2 433.528 -0.033 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)CC1 ZINC001471235735 1074593471 /nfs/dbraw/zinc/59/34/71/1074593471.db2.gz RFSGLZKYAMFJKN-LJQANCHMSA-N 1 2 433.528 -0.033 20 0 IBADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471334279 1074594194 /nfs/dbraw/zinc/59/41/94/1074594194.db2.gz SEKJYKYAGNCNMQ-KRWDZBQOSA-N 1 2 449.533 -0.257 20 0 IBADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001471334279 1074594186 /nfs/dbraw/zinc/59/41/86/1074594186.db2.gz SEKJYKYAGNCNMQ-KRWDZBQOSA-N 1 2 449.533 -0.257 20 0 IBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001471409843 1074595325 /nfs/dbraw/zinc/59/53/25/1074595325.db2.gz ODJGWEUSCQFWEF-UHFFFAOYSA-N 1 2 446.501 -0.058 20 0 IBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001471409843 1074595322 /nfs/dbraw/zinc/59/53/22/1074595322.db2.gz ODJGWEUSCQFWEF-UHFFFAOYSA-N 1 2 446.501 -0.058 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001471646229 1074598099 /nfs/dbraw/zinc/59/80/99/1074598099.db2.gz DQWZSKGZQKACAA-SFHVURJKSA-N 1 2 449.533 -0.163 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001471646229 1074598095 /nfs/dbraw/zinc/59/80/95/1074598095.db2.gz DQWZSKGZQKACAA-SFHVURJKSA-N 1 2 449.533 -0.163 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001471647306 1074598068 /nfs/dbraw/zinc/59/80/68/1074598068.db2.gz PDXGNIRZTZLLFH-VIFPVBQESA-N 1 2 437.258 -0.911 20 0 IBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001471647306 1074598062 /nfs/dbraw/zinc/59/80/62/1074598062.db2.gz PDXGNIRZTZLLFH-VIFPVBQESA-N 1 2 437.258 -0.911 20 0 IBADLO O=C(NCCN1Cc2ccccc2OCC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471798065 1074599520 /nfs/dbraw/zinc/59/95/20/1074599520.db2.gz HMMSXKNGMVZLMN-GOSISDBHSA-N 1 2 430.505 -0.296 20 0 IBADLO O=C(NCCN1Cc2ccccc2OCC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471798066 1074599533 /nfs/dbraw/zinc/59/95/33/1074599533.db2.gz HMMSXKNGMVZLMN-SFHVURJKSA-N 1 2 430.505 -0.296 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001471978059 1074603021 /nfs/dbraw/zinc/60/30/21/1074603021.db2.gz KWAFVBFCOLZMCJ-HNNXBMFYSA-N 1 2 432.930 -0.741 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001471978059 1074603020 /nfs/dbraw/zinc/60/30/20/1074603020.db2.gz KWAFVBFCOLZMCJ-HNNXBMFYSA-N 1 2 432.930 -0.741 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001471978060 1074603105 /nfs/dbraw/zinc/60/31/05/1074603105.db2.gz KWAFVBFCOLZMCJ-OAHLLOKOSA-N 1 2 432.930 -0.741 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001471978060 1074603102 /nfs/dbraw/zinc/60/31/02/1074603102.db2.gz KWAFVBFCOLZMCJ-OAHLLOKOSA-N 1 2 432.930 -0.741 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001471978083 1074603116 /nfs/dbraw/zinc/60/31/16/1074603116.db2.gz AESWDHBBKUGOHN-UHFFFAOYSA-N 1 2 438.550 -0.090 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001471978083 1074603112 /nfs/dbraw/zinc/60/31/12/1074603112.db2.gz AESWDHBBKUGOHN-UHFFFAOYSA-N 1 2 438.550 -0.090 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC001471978141 1074603080 /nfs/dbraw/zinc/60/30/80/1074603080.db2.gz CQPZHJXXINZLQK-UHFFFAOYSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC001471978141 1074603078 /nfs/dbraw/zinc/60/30/78/1074603078.db2.gz CQPZHJXXINZLQK-UHFFFAOYSA-N 1 2 440.570 -0.292 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001471978701 1074603006 /nfs/dbraw/zinc/60/30/06/1074603006.db2.gz XVYGKXOEDKKFTJ-FQEVSTJZSA-N 1 2 438.550 -0.278 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001471978701 1074603004 /nfs/dbraw/zinc/60/30/04/1074603004.db2.gz XVYGKXOEDKKFTJ-FQEVSTJZSA-N 1 2 438.550 -0.278 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001471978706 1074603090 /nfs/dbraw/zinc/60/30/90/1074603090.db2.gz XVYGKXOEDKKFTJ-HXUWFJFHSA-N 1 2 438.550 -0.278 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001471978706 1074603087 /nfs/dbraw/zinc/60/30/87/1074603087.db2.gz XVYGKXOEDKKFTJ-HXUWFJFHSA-N 1 2 438.550 -0.278 20 0 IBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC001472332711 1074608446 /nfs/dbraw/zinc/60/84/46/1074608446.db2.gz KTFXYZIALCIGME-FXUDXRNXSA-N 1 2 437.522 -0.494 20 0 IBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC001472332712 1074608472 /nfs/dbraw/zinc/60/84/72/1074608472.db2.gz KTFXYZIALCIGME-LVQVYYBASA-N 1 2 437.522 -0.494 20 0 IBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC001472332713 1074608487 /nfs/dbraw/zinc/60/84/87/1074608487.db2.gz KTFXYZIALCIGME-XUWVNRHRSA-N 1 2 437.522 -0.494 20 0 IBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC001472332714 1074608456 /nfs/dbraw/zinc/60/84/56/1074608456.db2.gz KTFXYZIALCIGME-YHUYYLMFSA-N 1 2 437.522 -0.494 20 0 IBADLO CC(C)(CNC(=O)Cn1cc(I)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC001473031565 1074611940 /nfs/dbraw/zinc/61/19/40/1074611940.db2.gz FUFKVOJJGUSOHE-UHFFFAOYSA-N 1 2 436.250 -0.220 20 0 IBADLO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC1 ZINC001473292326 1074613346 /nfs/dbraw/zinc/61/33/46/1074613346.db2.gz WEPQQLJMNPKJJF-UHFFFAOYSA-N 1 2 438.447 -0.143 20 0 IBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC001473434200 1074613990 /nfs/dbraw/zinc/61/39/90/1074613990.db2.gz PNGHZUZPKCPRQN-UHFFFAOYSA-N 1 2 442.542 -0.299 20 0 IBADLO CC(C)NS(=O)(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC001473469305 1074613970 /nfs/dbraw/zinc/61/39/70/1074613970.db2.gz RQMRPIZVUHCGGE-UHFFFAOYSA-N 1 2 444.558 -0.477 20 0 IBADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473473390 1074614057 /nfs/dbraw/zinc/61/40/57/1074614057.db2.gz JIRPHPFIEKYNDT-OAHLLOKOSA-N 1 2 438.506 -0.760 20 0 IBADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473473390 1074614053 /nfs/dbraw/zinc/61/40/53/1074614053.db2.gz JIRPHPFIEKYNDT-OAHLLOKOSA-N 1 2 438.506 -0.760 20 0 IBADLO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C(N)=O ZINC001473500617 1074614488 /nfs/dbraw/zinc/61/44/88/1074614488.db2.gz GZZOVOLHQZALQJ-UHFFFAOYSA-N 1 2 440.522 -0.514 20 0 IBADLO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C(N)=O ZINC001473500617 1074614482 /nfs/dbraw/zinc/61/44/82/1074614482.db2.gz GZZOVOLHQZALQJ-UHFFFAOYSA-N 1 2 440.522 -0.514 20 0 IBADLO CS(=O)(=O)N=S1(=O)CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001473500703 1074614401 /nfs/dbraw/zinc/61/44/01/1074614401.db2.gz JXSICBQVVIKPDU-UHFFFAOYSA-N 1 2 429.568 -0.137 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)C(C)(C)C(N)=O)CC2)c1 ZINC001473500961 1074614534 /nfs/dbraw/zinc/61/45/34/1074614534.db2.gz RYWNKFAMPDUIHN-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C(C)(C)C(N)=O)CC2)c1 ZINC001473500961 1074614533 /nfs/dbraw/zinc/61/45/33/1074614533.db2.gz RYWNKFAMPDUIHN-UHFFFAOYSA-N 1 2 442.538 -0.268 20 0 IBADLO CNS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC001473515354 1074614554 /nfs/dbraw/zinc/61/45/54/1074614554.db2.gz ATQWJWVTXRXCLX-UHFFFAOYSA-N 1 2 437.566 -0.653 20 0 IBADLO CNS(=O)(=O)N1CCN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC001473515835 1074614593 /nfs/dbraw/zinc/61/45/93/1074614593.db2.gz DZNOSSSBIVXBCV-UHFFFAOYSA-N 1 2 439.586 -0.361 20 0 IBADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001473611441 1074615920 /nfs/dbraw/zinc/61/59/20/1074615920.db2.gz APJIEKKIZDDRIZ-HZPDHXFCSA-N 1 2 443.522 -0.264 20 0 IBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001473611441 1074615910 /nfs/dbraw/zinc/61/59/10/1074615910.db2.gz APJIEKKIZDDRIZ-HZPDHXFCSA-N 1 2 443.522 -0.264 20 0 IBADLO NC(=O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCOCC1 ZINC001473759002 1074617956 /nfs/dbraw/zinc/61/79/56/1074617956.db2.gz VYAAECRIBPBUQA-UHFFFAOYSA-N 1 2 442.513 -0.375 20 0 IBADLO NC(=O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCOCC1 ZINC001473759002 1074617952 /nfs/dbraw/zinc/61/79/52/1074617952.db2.gz VYAAECRIBPBUQA-UHFFFAOYSA-N 1 2 442.513 -0.375 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC001473811808 1074618503 /nfs/dbraw/zinc/61/85/03/1074618503.db2.gz BCZDPCPLWFRRIM-NRFANRHFSA-N 1 2 446.508 -0.753 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC001473811808 1074618499 /nfs/dbraw/zinc/61/84/99/1074618499.db2.gz BCZDPCPLWFRRIM-NRFANRHFSA-N 1 2 446.508 -0.753 20 0 IBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC001473811809 1074618546 /nfs/dbraw/zinc/61/85/46/1074618546.db2.gz BCZDPCPLWFRRIM-OAQYLSRUSA-N 1 2 446.508 -0.753 20 0 IBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC001473811809 1074618543 /nfs/dbraw/zinc/61/85/43/1074618543.db2.gz BCZDPCPLWFRRIM-OAQYLSRUSA-N 1 2 446.508 -0.753 20 0 IBADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473822079 1074356676 /nfs/dbraw/zinc/35/66/76/1074356676.db2.gz GIZCGZJPQIJOLS-GOSISDBHSA-N 1 2 438.550 -0.076 20 0 IBADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473822079 1074356667 /nfs/dbraw/zinc/35/66/67/1074356667.db2.gz GIZCGZJPQIJOLS-GOSISDBHSA-N 1 2 438.550 -0.076 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@]2(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001473832666 1074618972 /nfs/dbraw/zinc/61/89/72/1074618972.db2.gz NFBDSTKFVGFVSF-DOXZYTNZSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@]2(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001473832666 1074618968 /nfs/dbraw/zinc/61/89/68/1074618968.db2.gz NFBDSTKFVGFVSF-DOXZYTNZSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001473832667 1074618982 /nfs/dbraw/zinc/61/89/82/1074618982.db2.gz NFBDSTKFVGFVSF-KHYOSLBOSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001473832667 1074618978 /nfs/dbraw/zinc/61/89/78/1074618978.db2.gz NFBDSTKFVGFVSF-KHYOSLBOSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001473832668 1074618992 /nfs/dbraw/zinc/61/89/92/1074618992.db2.gz NFBDSTKFVGFVSF-QMTMVMCOSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001473832668 1074618989 /nfs/dbraw/zinc/61/89/89/1074618989.db2.gz NFBDSTKFVGFVSF-QMTMVMCOSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@]2(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001473832669 1074618964 /nfs/dbraw/zinc/61/89/64/1074618964.db2.gz NFBDSTKFVGFVSF-YZVOILCLSA-N 1 2 426.539 -0.721 20 0 IBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@]2(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001473832669 1074618960 /nfs/dbraw/zinc/61/89/60/1074618960.db2.gz NFBDSTKFVGFVSF-YZVOILCLSA-N 1 2 426.539 -0.721 20 0 IBADLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001473849221 1074618906 /nfs/dbraw/zinc/61/89/06/1074618906.db2.gz YPQYBRISKJEIJK-IBGZPJMESA-N 1 2 448.586 -0.122 20 0 IBADLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001473849221 1074618902 /nfs/dbraw/zinc/61/89/02/1074618902.db2.gz YPQYBRISKJEIJK-IBGZPJMESA-N 1 2 448.586 -0.122 20 0 IBADLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001473849222 1074619007 /nfs/dbraw/zinc/61/90/07/1074619007.db2.gz YPQYBRISKJEIJK-LJQANCHMSA-N 1 2 448.586 -0.122 20 0 IBADLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001473849222 1074619004 /nfs/dbraw/zinc/61/90/04/1074619004.db2.gz YPQYBRISKJEIJK-LJQANCHMSA-N 1 2 448.586 -0.122 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C[C@H]1C(=O)OC ZINC001473879167 1074619454 /nfs/dbraw/zinc/61/94/54/1074619454.db2.gz JJWUWKLKEFNMCS-DFBGVHRSSA-N 1 2 439.490 -0.494 20 0 IBADLO COC(=O)[C@H]1C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C[C@H]1C(=O)OC ZINC001473879167 1074619451 /nfs/dbraw/zinc/61/94/51/1074619451.db2.gz JJWUWKLKEFNMCS-DFBGVHRSSA-N 1 2 439.490 -0.494 20 0 IBADLO COC(=O)[C@@H]1C[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C[C@H]1C(=O)OC ZINC001473879169 1074619482 /nfs/dbraw/zinc/61/94/82/1074619482.db2.gz JJWUWKLKEFNMCS-KCPJHIHWSA-N 1 2 439.490 -0.494 20 0 IBADLO COC(=O)[C@@H]1C[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C[C@H]1C(=O)OC ZINC001473879170 1074619491 /nfs/dbraw/zinc/61/94/91/1074619491.db2.gz JJWUWKLKEFNMCS-NILFDRSVSA-N 1 2 439.490 -0.494 20 0 IBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C[C@H]1C(=O)OC ZINC001473879172 1074619474 /nfs/dbraw/zinc/61/94/74/1074619474.db2.gz JJWUWKLKEFNMCS-TUKIKUTGSA-N 1 2 439.490 -0.494 20 0 IBADLO COC(=O)[C@H]1C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C[C@H]1C(=O)OC ZINC001473879172 1074619472 /nfs/dbraw/zinc/61/94/72/1074619472.db2.gz JJWUWKLKEFNMCS-TUKIKUTGSA-N 1 2 439.490 -0.494 20 0 IBADLO NS(=O)(=O)c1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)o1 ZINC001473936337 1074619965 /nfs/dbraw/zinc/61/99/65/1074619965.db2.gz RHKRFVCALOJYBE-UHFFFAOYSA-N 1 2 429.524 -0.436 20 0 IBADLO CC(C)Oc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001474824859 1074621750 /nfs/dbraw/zinc/62/17/50/1074621750.db2.gz LRFMNSOIEPYFEH-UHFFFAOYSA-N 1 2 447.583 -0.333 20 0 IBADLO CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001474825314 1074621605 /nfs/dbraw/zinc/62/16/05/1074621605.db2.gz QOZJVSUHXYWRTP-INIZCTEOSA-N 1 2 426.605 -0.513 20 0 IBADLO CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001474825315 1074621735 /nfs/dbraw/zinc/62/17/35/1074621735.db2.gz QOZJVSUHXYWRTP-MRXNPFEDSA-N 1 2 426.605 -0.513 20 0 IBADLO COc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001474825888 1074621684 /nfs/dbraw/zinc/62/16/84/1074621684.db2.gz YXKTYPPQUSQZAR-UHFFFAOYSA-N 1 2 436.531 -0.367 20 0 IBADLO O=S(=O)(CCNS(=O)(=O)N1CCCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837102 1074622223 /nfs/dbraw/zinc/62/22/23/1074622223.db2.gz BOQVOVAZSAUUCV-UHFFFAOYSA-N 1 2 433.556 -0.910 20 0 IBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCOCC1 ZINC001474944738 1074623587 /nfs/dbraw/zinc/62/35/87/1074623587.db2.gz NKPDDORZBHXUAD-INIZCTEOSA-N 1 2 426.543 -0.161 20 0 IBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCOCC1 ZINC001474944738 1074623577 /nfs/dbraw/zinc/62/35/77/1074623577.db2.gz NKPDDORZBHXUAD-INIZCTEOSA-N 1 2 426.543 -0.161 20 0 IBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCOCC1 ZINC001474944741 1074623639 /nfs/dbraw/zinc/62/36/39/1074623639.db2.gz NKPDDORZBHXUAD-MRXNPFEDSA-N 1 2 426.543 -0.161 20 0 IBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCOCC1 ZINC001474944741 1074623631 /nfs/dbraw/zinc/62/36/31/1074623631.db2.gz NKPDDORZBHXUAD-MRXNPFEDSA-N 1 2 426.543 -0.161 20 0 IBADLO COc1cc2c(cc1S(=O)(=O)NC1CC[NH+]([C@H]3CCN(C)C3=O)CC1)OCC(=O)N2 ZINC001475435199 1074629127 /nfs/dbraw/zinc/62/91/27/1074629127.db2.gz KGZKNELYYRYFTH-AWEZNQCLSA-N 1 2 438.506 -0.001 20 0 IBADLO COc1cc2c(cc1S(=O)(=O)NC1CC[NH+]([C@@H]3CCN(C)C3=O)CC1)OCC(=O)N2 ZINC001475435202 1074629144 /nfs/dbraw/zinc/62/91/44/1074629144.db2.gz KGZKNELYYRYFTH-CQSZACIVSA-N 1 2 438.506 -0.001 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC001475445499 1074629070 /nfs/dbraw/zinc/62/90/70/1074629070.db2.gz XZRQYTACSYKOEQ-UHFFFAOYSA-N 1 2 437.522 -0.173 20 0 IBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC001476572471 1074641902 /nfs/dbraw/zinc/64/19/02/1074641902.db2.gz CYZDDXPSRBMMKF-CYBMUJFWSA-N 1 2 434.481 -0.201 20 0 IBADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC001476572472 1074641812 /nfs/dbraw/zinc/64/18/12/1074641812.db2.gz CYZDDXPSRBMMKF-ZDUSSCGKSA-N 1 2 434.481 -0.201 20 0 IBADLO COCCNS(=O)(=O)c1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC001476934481 1074642944 /nfs/dbraw/zinc/64/29/44/1074642944.db2.gz PBFBZNAYMJLARQ-INIZCTEOSA-N 1 2 430.527 -0.232 20 0 IBADLO COCCNS(=O)(=O)c1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001476934484 1074642916 /nfs/dbraw/zinc/64/29/16/1074642916.db2.gz PBFBZNAYMJLARQ-MRXNPFEDSA-N 1 2 430.527 -0.232 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnc2c(c1)CNC2=O ZINC001477201001 1074643447 /nfs/dbraw/zinc/64/34/47/1074643447.db2.gz QJWMCPLDKUKWMH-UHFFFAOYSA-N 1 2 445.505 -0.007 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001477268638 1074643952 /nfs/dbraw/zinc/64/39/52/1074643952.db2.gz QMBUVXYMAOCNEU-IBGZPJMESA-N 1 2 426.539 -0.209 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001477268638 1074643948 /nfs/dbraw/zinc/64/39/48/1074643948.db2.gz QMBUVXYMAOCNEU-IBGZPJMESA-N 1 2 426.539 -0.209 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001477268639 1074643871 /nfs/dbraw/zinc/64/38/71/1074643871.db2.gz QMBUVXYMAOCNEU-LJQANCHMSA-N 1 2 426.539 -0.209 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001477268639 1074643868 /nfs/dbraw/zinc/64/38/68/1074643868.db2.gz QMBUVXYMAOCNEU-LJQANCHMSA-N 1 2 426.539 -0.209 20 0 IBADLO NC(=O)C12CCC(CC1)N2C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477274851 1074643884 /nfs/dbraw/zinc/64/38/84/1074643884.db2.gz BKJGSYJOPYKGPL-UHFFFAOYSA-N 1 2 436.538 -0.275 20 0 IBADLO CCN(OC)C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477274865 1074643909 /nfs/dbraw/zinc/64/39/09/1074643909.db2.gz BQVBBULDTVJIST-UHFFFAOYSA-N 1 2 428.515 -0.758 20 0 IBADLO Cn1ncc(CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001477274909 1074643926 /nfs/dbraw/zinc/64/39/26/1074643926.db2.gz DDXKLUHXORDZNT-UHFFFAOYSA-N 1 2 436.542 -0.406 20 0 IBADLO COC[C@]1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001477275118 1074643778 /nfs/dbraw/zinc/64/37/78/1074643778.db2.gz KNINZEDSKYLWFS-IBGZPJMESA-N 1 2 441.554 -0.020 20 0 IBADLO COC[C@@]1(C)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001477275119 1074643822 /nfs/dbraw/zinc/64/38/22/1074643822.db2.gz KNINZEDSKYLWFS-LJQANCHMSA-N 1 2 441.554 -0.020 20 0 IBADLO Cn1cnc(CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001477275157 1074643994 /nfs/dbraw/zinc/64/39/94/1074643994.db2.gz MCUBMPGOBDHVCK-UHFFFAOYSA-N 1 2 436.542 -0.406 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001477275512 1074643850 /nfs/dbraw/zinc/64/38/50/1074643850.db2.gz VKNHQUBHRFNNKK-LSXCKUSFSA-N 1 2 427.552 -0.552 20 0 IBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001477275513 1074643838 /nfs/dbraw/zinc/64/38/38/1074643838.db2.gz VKNHQUBHRFNNKK-LKLRLBKWSA-N 1 2 427.552 -0.552 20 0 IBADLO CN(C)S(=O)(=O)N1CC(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001477622084 1074645424 /nfs/dbraw/zinc/64/54/24/1074645424.db2.gz XSLAFLACETYXSZ-UHFFFAOYSA-N 1 2 441.554 -0.313 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001477630089 1074645484 /nfs/dbraw/zinc/64/54/84/1074645484.db2.gz KVAFRXDNBQBSDR-UHFFFAOYSA-N 1 2 441.554 -0.311 20 0 IBADLO CS(=O)(=O)C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001477659762 1074646095 /nfs/dbraw/zinc/64/60/95/1074646095.db2.gz BOLFCKDCUCSMBP-INIZCTEOSA-N 1 2 439.538 -0.425 20 0 IBADLO CS(=O)(=O)C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001477659767 1074646083 /nfs/dbraw/zinc/64/60/83/1074646083.db2.gz BOLFCKDCUCSMBP-MRXNPFEDSA-N 1 2 439.538 -0.425 20 0 IBADLO O=C(CCNC(=O)N1CCN(c2nccnn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001477660145 1074646091 /nfs/dbraw/zinc/64/60/91/1074646091.db2.gz JZTYYKYKCFFDRL-UHFFFAOYSA-N 1 2 425.497 -0.163 20 0 IBADLO CC(C)(CNS(C)(=O)=O)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477660988 1074646065 /nfs/dbraw/zinc/64/60/65/1074646065.db2.gz SIUHXVKUFCSNQY-UHFFFAOYSA-N 1 2 426.543 -0.253 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001477710175 1074646566 /nfs/dbraw/zinc/64/65/66/1074646566.db2.gz ACRNHFMXUDPPEB-CYBMUJFWSA-N 1 2 425.577 -0.714 20 0 IBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001477710175 1074646563 /nfs/dbraw/zinc/64/65/63/1074646563.db2.gz ACRNHFMXUDPPEB-CYBMUJFWSA-N 1 2 425.577 -0.714 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001477710177 1074646604 /nfs/dbraw/zinc/64/66/04/1074646604.db2.gz ACRNHFMXUDPPEB-ZDUSSCGKSA-N 1 2 425.577 -0.714 20 0 IBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001477710177 1074646599 /nfs/dbraw/zinc/64/65/99/1074646599.db2.gz ACRNHFMXUDPPEB-ZDUSSCGKSA-N 1 2 425.577 -0.714 20 0 IBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982914 1074649954 /nfs/dbraw/zinc/64/99/54/1074649954.db2.gz NTDRTAQJARSDBE-INIZCTEOSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982914 1074649952 /nfs/dbraw/zinc/64/99/52/1074649952.db2.gz NTDRTAQJARSDBE-INIZCTEOSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982918 1074649863 /nfs/dbraw/zinc/64/98/63/1074649863.db2.gz NTDRTAQJARSDBE-MRXNPFEDSA-N 1 2 428.559 -0.017 20 0 IBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982918 1074649862 /nfs/dbraw/zinc/64/98/62/1074649862.db2.gz NTDRTAQJARSDBE-MRXNPFEDSA-N 1 2 428.559 -0.017 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CC2)cn1 ZINC001477984608 1074650135 /nfs/dbraw/zinc/65/01/35/1074650135.db2.gz WSVXWRUOWRLLDL-INIZCTEOSA-N 1 2 426.543 -0.311 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cn1 ZINC001477984617 1074650264 /nfs/dbraw/zinc/65/02/64/1074650264.db2.gz WSVXWRUOWRLLDL-MRXNPFEDSA-N 1 2 426.543 -0.311 20 0 IBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1nn(C)cc1I ZINC001478628953 1074652877 /nfs/dbraw/zinc/65/28/77/1074652877.db2.gz SFGHQQIYGJEPTD-LLVKDONJSA-N 1 2 437.282 -0.141 20 0 IBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1nn(C)cc1I ZINC001478628954 1074652809 /nfs/dbraw/zinc/65/28/09/1074652809.db2.gz SFGHQQIYGJEPTD-NSHDSACASA-N 1 2 437.282 -0.141 20 0 IBADLO CCCN1C[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001478849408 1074654790 /nfs/dbraw/zinc/65/47/90/1074654790.db2.gz CTOYLCCTIHPRDO-INIZCTEOSA-N 1 2 430.575 -0.936 20 0 IBADLO CCCN1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001478849409 1074654761 /nfs/dbraw/zinc/65/47/61/1074654761.db2.gz CTOYLCCTIHPRDO-MRXNPFEDSA-N 1 2 430.575 -0.936 20 0 IBADLO CS(=O)(=O)CCCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001478855637 1074654784 /nfs/dbraw/zinc/65/47/84/1074654784.db2.gz SSCCAZGYJZOMMD-UHFFFAOYSA-N 1 2 426.543 -0.030 20 0 IBADLO CS(=O)(=O)CCCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001478855637 1074654780 /nfs/dbraw/zinc/65/47/80/1074654780.db2.gz SSCCAZGYJZOMMD-UHFFFAOYSA-N 1 2 426.543 -0.030 20 0 IBADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC001478879720 1074655721 /nfs/dbraw/zinc/65/57/21/1074655721.db2.gz PTWGOHPAHUUFSE-HNNXBMFYSA-N 1 2 433.575 -0.216 20 0 IBADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC001478879722 1074655765 /nfs/dbraw/zinc/65/57/65/1074655765.db2.gz PTWGOHPAHUUFSE-OAHLLOKOSA-N 1 2 433.575 -0.216 20 0 IBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001479049003 1074657369 /nfs/dbraw/zinc/65/73/69/1074657369.db2.gz UWIUXAMIRMMONJ-DENIHFKCSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001479049003 1074657365 /nfs/dbraw/zinc/65/73/65/1074657365.db2.gz UWIUXAMIRMMONJ-DENIHFKCSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001479049005 1074657396 /nfs/dbraw/zinc/65/73/96/1074657396.db2.gz UWIUXAMIRMMONJ-KNQAVFIVSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001479049005 1074657394 /nfs/dbraw/zinc/65/73/94/1074657394.db2.gz UWIUXAMIRMMONJ-KNQAVFIVSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001479049006 1074657924 /nfs/dbraw/zinc/65/79/24/1074657924.db2.gz UWIUXAMIRMMONJ-SIKLNZKXSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001479049006 1074657918 /nfs/dbraw/zinc/65/79/18/1074657918.db2.gz UWIUXAMIRMMONJ-SIKLNZKXSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001479049007 1074657866 /nfs/dbraw/zinc/65/78/66/1074657866.db2.gz UWIUXAMIRMMONJ-UGKGYDQZSA-N 1 2 431.537 -0.270 20 0 IBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001479049007 1074657862 /nfs/dbraw/zinc/65/78/62/1074657862.db2.gz UWIUXAMIRMMONJ-UGKGYDQZSA-N 1 2 431.537 -0.270 20 0 IBADLO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001479065961 1074657941 /nfs/dbraw/zinc/65/79/41/1074657941.db2.gz RRYUCTCWOOOYPT-LSDHHAIUSA-N 1 2 443.530 -0.973 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)CS(N)(=O)=O ZINC001479125145 1074658435 /nfs/dbraw/zinc/65/84/35/1074658435.db2.gz OQPIZLJQMZDNLP-UHFFFAOYSA-N 1 2 441.558 -0.541 20 0 IBADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)CS(N)(=O)=O ZINC001479125145 1074658431 /nfs/dbraw/zinc/65/84/31/1074658431.db2.gz OQPIZLJQMZDNLP-UHFFFAOYSA-N 1 2 441.558 -0.541 20 0 IBADLO COCCN(C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001479177953 1074659462 /nfs/dbraw/zinc/65/94/62/1074659462.db2.gz NKNNELQGGPQXOQ-MSOLQXFVSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCN(C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001479177954 1074659535 /nfs/dbraw/zinc/65/95/35/1074659535.db2.gz NKNNELQGGPQXOQ-QZTJIDSGSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCN(C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001479177956 1074659501 /nfs/dbraw/zinc/65/95/01/1074659501.db2.gz NKNNELQGGPQXOQ-ROUUACIJSA-N 1 2 432.587 -0.372 20 0 IBADLO COCCN(C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001479177957 1074659529 /nfs/dbraw/zinc/65/95/29/1074659529.db2.gz NKNNELQGGPQXOQ-ZWKOTPCHSA-N 1 2 432.587 -0.372 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)C1 ZINC001479190960 1074660579 /nfs/dbraw/zinc/66/05/79/1074660579.db2.gz IMJFFFVBXKLOQS-AWEZNQCLSA-N 1 2 448.528 -0.142 20 0 IBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)C1 ZINC001479190961 1074660541 /nfs/dbraw/zinc/66/05/41/1074660541.db2.gz IMJFFFVBXKLOQS-CQSZACIVSA-N 1 2 448.528 -0.142 20 0 IBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001479356939 1074661633 /nfs/dbraw/zinc/66/16/33/1074661633.db2.gz FMZWWQZWBXHYPX-MRXNPFEDSA-N 1 2 432.568 -0.238 20 0 IBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001479356939 1074661626 /nfs/dbraw/zinc/66/16/26/1074661626.db2.gz FMZWWQZWBXHYPX-MRXNPFEDSA-N 1 2 432.568 -0.238 20 0 IBADLO C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)CO1 ZINC001479362337 1074661673 /nfs/dbraw/zinc/66/16/73/1074661673.db2.gz SQJFBEYIYAJUPO-AOIWGVFYSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)CO1 ZINC001479362338 1074661712 /nfs/dbraw/zinc/66/17/12/1074661712.db2.gz SQJFBEYIYAJUPO-LMMKCTJWSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)CO1 ZINC001479362339 1074661587 /nfs/dbraw/zinc/66/15/87/1074661587.db2.gz SQJFBEYIYAJUPO-ZHALLVOQSA-N 1 2 445.586 -0.468 20 0 IBADLO C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)CO1 ZINC001479362340 1074662194 /nfs/dbraw/zinc/66/21/94/1074662194.db2.gz SQJFBEYIYAJUPO-ZIFCJYIRSA-N 1 2 445.586 -0.468 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001479391270 1074662022 /nfs/dbraw/zinc/66/20/22/1074662022.db2.gz BUXCAYNCXHNPEC-INIZCTEOSA-N 1 2 432.543 -0.729 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001479391270 1074662018 /nfs/dbraw/zinc/66/20/18/1074662018.db2.gz BUXCAYNCXHNPEC-INIZCTEOSA-N 1 2 432.543 -0.729 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001479391272 1074662034 /nfs/dbraw/zinc/66/20/34/1074662034.db2.gz BUXCAYNCXHNPEC-MRXNPFEDSA-N 1 2 432.543 -0.729 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001479391272 1074662030 /nfs/dbraw/zinc/66/20/30/1074662030.db2.gz BUXCAYNCXHNPEC-MRXNPFEDSA-N 1 2 432.543 -0.729 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391419 1074662089 /nfs/dbraw/zinc/66/20/89/1074662089.db2.gz FDRNEMQVSYLKHF-UHFFFAOYSA-N 1 2 443.526 -0.244 20 0 IBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391419 1074662085 /nfs/dbraw/zinc/66/20/85/1074662085.db2.gz FDRNEMQVSYLKHF-UHFFFAOYSA-N 1 2 443.526 -0.244 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cn1C ZINC001479391710 1074662135 /nfs/dbraw/zinc/66/21/35/1074662135.db2.gz HNLBHHDSDAEHRH-UHFFFAOYSA-N 1 2 442.542 -0.807 20 0 IBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cn1C ZINC001479391710 1074662128 /nfs/dbraw/zinc/66/21/28/1074662128.db2.gz HNLBHHDSDAEHRH-UHFFFAOYSA-N 1 2 442.542 -0.807 20 0 IBADLO Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001492623537 1074405846 /nfs/dbraw/zinc/40/58/46/1074405846.db2.gz GSTKCEQDVLAPCC-INIZCTEOSA-N 1 2 440.574 -0.138 20 0 IBADLO Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001492623538 1074405877 /nfs/dbraw/zinc/40/58/77/1074405877.db2.gz GSTKCEQDVLAPCC-MRXNPFEDSA-N 1 2 440.574 -0.138 20 0 IBADLO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001492709763 1074406991 /nfs/dbraw/zinc/40/69/91/1074406991.db2.gz TXSOTONCKXFCHK-GDBMZVCRSA-N 1 2 438.558 -0.386 20 0 IBADLO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001492709764 1074407031 /nfs/dbraw/zinc/40/70/31/1074407031.db2.gz TXSOTONCKXFCHK-GOEBONIOSA-N 1 2 438.558 -0.386 20 0 IBADLO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001492709765 1074406942 /nfs/dbraw/zinc/40/69/42/1074406942.db2.gz TXSOTONCKXFCHK-HOCLYGCPSA-N 1 2 438.558 -0.386 20 0 IBADLO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001492709766 1074407014 /nfs/dbraw/zinc/40/70/14/1074407014.db2.gz TXSOTONCKXFCHK-ZBFHGGJFSA-N 1 2 438.558 -0.386 20 0 IBADLO CCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499060252 1074672731 /nfs/dbraw/zinc/67/27/31/1074672731.db2.gz KEVCSHIDZUFGLP-INIZCTEOSA-N 1 2 444.544 -0.464 20 0 IBADLO CCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499060253 1074673403 /nfs/dbraw/zinc/67/34/03/1074673403.db2.gz KEVCSHIDZUFGLP-MRXNPFEDSA-N 1 2 444.544 -0.464 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)CC ZINC001499135523 1074673936 /nfs/dbraw/zinc/67/39/36/1074673936.db2.gz GTGOXDPFOABPKD-INIZCTEOSA-N 1 2 441.602 -0.087 20 0 IBADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)CC ZINC001499135529 1074673902 /nfs/dbraw/zinc/67/39/02/1074673902.db2.gz GTGOXDPFOABPKD-MRXNPFEDSA-N 1 2 441.602 -0.087 20 0 IBADLO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499169808 1074674487 /nfs/dbraw/zinc/67/44/87/1074674487.db2.gz AYBUQCHKWHFXLT-UHFFFAOYSA-N 1 2 446.600 -0.251 20 0 IBADLO CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499172865 1074674363 /nfs/dbraw/zinc/67/43/63/1074674363.db2.gz MMLVBBQBJUSYRQ-UHFFFAOYSA-N 1 2 434.589 -0.349 20 0 IBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@H+]1CCOC ZINC001499730187 1074676934 /nfs/dbraw/zinc/67/69/34/1074676934.db2.gz YMIJIROHVRBVGU-CVEARBPZSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@@H+]1CCOC ZINC001499730187 1074676928 /nfs/dbraw/zinc/67/69/28/1074676928.db2.gz YMIJIROHVRBVGU-CVEARBPZSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@H+]1CCOC ZINC001499730188 1074677036 /nfs/dbraw/zinc/67/70/36/1074677036.db2.gz YMIJIROHVRBVGU-HOTGVXAUSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@@H+]1CCOC ZINC001499730188 1074677033 /nfs/dbraw/zinc/67/70/33/1074677033.db2.gz YMIJIROHVRBVGU-HOTGVXAUSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@H+]1CCOC ZINC001499730189 1074676951 /nfs/dbraw/zinc/67/69/51/1074676951.db2.gz YMIJIROHVRBVGU-HZPDHXFCSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@@H+]1CCOC ZINC001499730189 1074676945 /nfs/dbraw/zinc/67/69/45/1074676945.db2.gz YMIJIROHVRBVGU-HZPDHXFCSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@H+]1CCOC ZINC001499730190 1074677009 /nfs/dbraw/zinc/67/70/09/1074677009.db2.gz YMIJIROHVRBVGU-JKSUJKDBSA-N 1 2 442.586 -0.137 20 0 IBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC[N@@H+]1CCOC ZINC001499730190 1074677008 /nfs/dbraw/zinc/67/70/08/1074677008.db2.gz YMIJIROHVRBVGU-JKSUJKDBSA-N 1 2 442.586 -0.137 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001501783961 1074682846 /nfs/dbraw/zinc/68/28/46/1074682846.db2.gz RWDHNHBRIMNJNQ-NRFANRHFSA-N 1 2 446.556 -0.180 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001501783964 1074682944 /nfs/dbraw/zinc/68/29/44/1074682944.db2.gz RWDHNHBRIMNJNQ-OAQYLSRUSA-N 1 2 446.556 -0.180 20 0 IBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501784293 1074682919 /nfs/dbraw/zinc/68/29/19/1074682919.db2.gz ZXYPSHBOQSXMOQ-QGZVFWFLSA-N 1 2 443.556 -0.052 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001502319219 1074687955 /nfs/dbraw/zinc/68/79/55/1074687955.db2.gz MROFUJKWRXEAIO-KBPBESRZSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001502319219 1074687949 /nfs/dbraw/zinc/68/79/49/1074687949.db2.gz MROFUJKWRXEAIO-KBPBESRZSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001502319220 1074687877 /nfs/dbraw/zinc/68/78/77/1074687877.db2.gz MROFUJKWRXEAIO-KGLIPLIRSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001502319220 1074687873 /nfs/dbraw/zinc/68/78/73/1074687873.db2.gz MROFUJKWRXEAIO-KGLIPLIRSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001502319221 1074687925 /nfs/dbraw/zinc/68/79/25/1074687925.db2.gz MROFUJKWRXEAIO-UONOGXRCSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001502319221 1074687922 /nfs/dbraw/zinc/68/79/22/1074687922.db2.gz MROFUJKWRXEAIO-UONOGXRCSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001502319222 1074687934 /nfs/dbraw/zinc/68/79/34/1074687934.db2.gz MROFUJKWRXEAIO-ZIAGYGMSSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001502319222 1074687932 /nfs/dbraw/zinc/68/79/32/1074687932.db2.gz MROFUJKWRXEAIO-ZIAGYGMSSA-N 1 2 448.615 -0.004 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502327359 1074687946 /nfs/dbraw/zinc/68/79/46/1074687946.db2.gz MRHMBEQICORKKH-KBPBESRZSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502327359 1074687942 /nfs/dbraw/zinc/68/79/42/1074687942.db2.gz MRHMBEQICORKKH-KBPBESRZSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502327360 1074688021 /nfs/dbraw/zinc/68/80/21/1074688021.db2.gz MRHMBEQICORKKH-KGLIPLIRSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502327360 1074688019 /nfs/dbraw/zinc/68/80/19/1074688019.db2.gz MRHMBEQICORKKH-KGLIPLIRSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502327361 1074687995 /nfs/dbraw/zinc/68/79/95/1074687995.db2.gz MRHMBEQICORKKH-UONOGXRCSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502327361 1074687991 /nfs/dbraw/zinc/68/79/91/1074687991.db2.gz MRHMBEQICORKKH-UONOGXRCSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502327362 1074688014 /nfs/dbraw/zinc/68/80/14/1074688014.db2.gz MRHMBEQICORKKH-ZIAGYGMSSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502327362 1074688012 /nfs/dbraw/zinc/68/80/12/1074688012.db2.gz MRHMBEQICORKKH-ZIAGYGMSSA-N 1 2 434.588 -0.740 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001502327703 1074687965 /nfs/dbraw/zinc/68/79/65/1074687965.db2.gz SEJVMKKWJJMIGD-CABCVRRESA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001502327703 1074687961 /nfs/dbraw/zinc/68/79/61/1074687961.db2.gz SEJVMKKWJJMIGD-CABCVRRESA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001502327704 1074687915 /nfs/dbraw/zinc/68/79/15/1074687915.db2.gz SEJVMKKWJJMIGD-GJZGRUSLSA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001502327704 1074687910 /nfs/dbraw/zinc/68/79/10/1074687910.db2.gz SEJVMKKWJJMIGD-GJZGRUSLSA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001502327705 1074688047 /nfs/dbraw/zinc/68/80/47/1074688047.db2.gz SEJVMKKWJJMIGD-HUUCEWRRSA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001502327705 1074688045 /nfs/dbraw/zinc/68/80/45/1074688045.db2.gz SEJVMKKWJJMIGD-HUUCEWRRSA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001502327706 1074688063 /nfs/dbraw/zinc/68/80/63/1074688063.db2.gz SEJVMKKWJJMIGD-LSDHHAIUSA-N 1 2 448.615 -0.350 20 0 IBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001502327706 1074688060 /nfs/dbraw/zinc/68/80/60/1074688060.db2.gz SEJVMKKWJJMIGD-LSDHHAIUSA-N 1 2 448.615 -0.350 20 0 IBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cnnn3C)C2)CC1 ZINC001502332720 1074688567 /nfs/dbraw/zinc/68/85/67/1074688567.db2.gz QUVZRCQDMMNILV-INIZCTEOSA-N 1 2 430.561 -0.191 20 0 IBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cnnn3C)C2)CC1 ZINC001502332721 1074688374 /nfs/dbraw/zinc/68/83/74/1074688374.db2.gz QUVZRCQDMMNILV-MRXNPFEDSA-N 1 2 430.561 -0.191 20 0 IBADLO CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502458726 1074691658 /nfs/dbraw/zinc/69/16/58/1074691658.db2.gz GKWYACUFQSITFC-KRWDZBQOSA-N 1 2 448.572 -0.027 20 0 IBADLO CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502458726 1074691654 /nfs/dbraw/zinc/69/16/54/1074691654.db2.gz GKWYACUFQSITFC-KRWDZBQOSA-N 1 2 448.572 -0.027 20 0 IBADLO CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502458729 1074691613 /nfs/dbraw/zinc/69/16/13/1074691613.db2.gz GKWYACUFQSITFC-QGZVFWFLSA-N 1 2 448.572 -0.027 20 0 IBADLO CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502458729 1074691611 /nfs/dbraw/zinc/69/16/11/1074691611.db2.gz GKWYACUFQSITFC-QGZVFWFLSA-N 1 2 448.572 -0.027 20 0 IBADLO CCO[C@@]1(c2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502727901 1074696340 /nfs/dbraw/zinc/69/63/40/1074696340.db2.gz DKVUSZQEHMXEEN-FQEVSTJZSA-N 1 2 435.529 -0.970 20 0 IBADLO CCO[C@]1(c2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502727902 1074696404 /nfs/dbraw/zinc/69/64/04/1074696404.db2.gz DKVUSZQEHMXEEN-HXUWFJFHSA-N 1 2 435.529 -0.970 20 0 IBADLO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503371011 1074705969 /nfs/dbraw/zinc/70/59/69/1074705969.db2.gz BNCZPIXLPIFLFU-CVEARBPZSA-N 1 2 440.570 -0.573 20 0 IBADLO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503371012 1074706011 /nfs/dbraw/zinc/70/60/11/1074706011.db2.gz BNCZPIXLPIFLFU-HOTGVXAUSA-N 1 2 440.570 -0.573 20 0 IBADLO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503371013 1074706123 /nfs/dbraw/zinc/70/61/23/1074706123.db2.gz BNCZPIXLPIFLFU-HZPDHXFCSA-N 1 2 440.570 -0.573 20 0 IBADLO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503371014 1074705937 /nfs/dbraw/zinc/70/59/37/1074705937.db2.gz BNCZPIXLPIFLFU-JKSUJKDBSA-N 1 2 440.570 -0.573 20 0 IBADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001503395088 1074707321 /nfs/dbraw/zinc/70/73/21/1074707321.db2.gz ZTVJMFZBZGJASX-HNNXBMFYSA-N 1 2 448.553 -0.180 20 0 IBADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001503395090 1074707433 /nfs/dbraw/zinc/70/74/33/1074707433.db2.gz ZTVJMFZBZGJASX-OAHLLOKOSA-N 1 2 448.553 -0.180 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 ZINC001503619654 1074711784 /nfs/dbraw/zinc/71/17/84/1074711784.db2.gz QTEJOWKGLVLSTL-UHFFFAOYSA-N 1 2 429.525 -0.109 20 0 IBADLO CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503620069 1074711818 /nfs/dbraw/zinc/71/18/18/1074711818.db2.gz OFHRBGGJVGWPMI-UHFFFAOYSA-N 1 2 426.547 -0.662 20 0 IBADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 ZINC001503621502 1074711696 /nfs/dbraw/zinc/71/16/96/1074711696.db2.gz POXSXCOJUHNBBP-UHFFFAOYSA-N 1 2 449.556 -0.549 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001503769324 1074718519 /nfs/dbraw/zinc/71/85/19/1074718519.db2.gz PAQCCMWHGXIBMT-INIZCTEOSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001503769324 1074718512 /nfs/dbraw/zinc/71/85/12/1074718512.db2.gz PAQCCMWHGXIBMT-INIZCTEOSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001503769327 1074718545 /nfs/dbraw/zinc/71/85/45/1074718545.db2.gz PAQCCMWHGXIBMT-MRXNPFEDSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001503769327 1074718538 /nfs/dbraw/zinc/71/85/38/1074718538.db2.gz PAQCCMWHGXIBMT-MRXNPFEDSA-N 1 2 449.556 -0.424 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503777637 1074719672 /nfs/dbraw/zinc/71/96/72/1074719672.db2.gz GXJGXOQAPWVJOD-AEFFLSMTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503777637 1074719662 /nfs/dbraw/zinc/71/96/62/1074719662.db2.gz GXJGXOQAPWVJOD-AEFFLSMTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503777641 1074719714 /nfs/dbraw/zinc/71/97/14/1074719714.db2.gz GXJGXOQAPWVJOD-FUHWJXTLSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503777641 1074719707 /nfs/dbraw/zinc/71/97/07/1074719707.db2.gz GXJGXOQAPWVJOD-FUHWJXTLSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503777905 1074719560 /nfs/dbraw/zinc/71/95/60/1074719560.db2.gz GXJGXOQAPWVJOD-SJLPKXTDSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503777905 1074719553 /nfs/dbraw/zinc/71/95/53/1074719553.db2.gz GXJGXOQAPWVJOD-SJLPKXTDSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503777908 1074719602 /nfs/dbraw/zinc/71/96/02/1074719602.db2.gz GXJGXOQAPWVJOD-WMZOPIPTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503777908 1074719594 /nfs/dbraw/zinc/71/95/94/1074719594.db2.gz GXJGXOQAPWVJOD-WMZOPIPTSA-N 1 2 429.525 -0.064 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001503779704 1074720569 /nfs/dbraw/zinc/72/05/69/1074720569.db2.gz WMFGLADOADUIDO-CABCVRRESA-N 1 2 428.497 -0.310 20 0 IBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001503779709 1074720486 /nfs/dbraw/zinc/72/04/86/1074720486.db2.gz WMFGLADOADUIDO-GJZGRUSLSA-N 1 2 428.497 -0.310 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001503779711 1074720473 /nfs/dbraw/zinc/72/04/73/1074720473.db2.gz WMFGLADOADUIDO-HUUCEWRRSA-N 1 2 428.497 -0.310 20 0 IBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001503779714 1074720517 /nfs/dbraw/zinc/72/05/17/1074720517.db2.gz WMFGLADOADUIDO-LSDHHAIUSA-N 1 2 428.497 -0.310 20 0 IBADLO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503805608 1074722233 /nfs/dbraw/zinc/72/22/33/1074722233.db2.gz LXPKZIFRAWLVTF-UHFFFAOYSA-N 1 2 434.545 -0.863 20 0 IBADLO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503809896 1074722547 /nfs/dbraw/zinc/72/25/47/1074722547.db2.gz OZMFRCVNVQSPSK-AWEZNQCLSA-N 1 2 436.542 -0.254 20 0 IBADLO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503809899 1074722523 /nfs/dbraw/zinc/72/25/23/1074722523.db2.gz OZMFRCVNVQSPSK-CQSZACIVSA-N 1 2 436.542 -0.254 20 0 IBADLO CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503815851 1074723009 /nfs/dbraw/zinc/72/30/09/1074723009.db2.gz ZXEQBVJILOORHF-HNNXBMFYSA-N 1 2 440.570 -0.383 20 0 IBADLO CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503815853 1074722870 /nfs/dbraw/zinc/72/28/70/1074722870.db2.gz ZXEQBVJILOORHF-OAHLLOKOSA-N 1 2 440.570 -0.383 20 0 IBADLO CNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503826666 1074724713 /nfs/dbraw/zinc/72/47/13/1074724713.db2.gz UGZPWRNTQOKNGN-KRWDZBQOSA-N 1 2 434.545 -0.593 20 0 IBADLO CNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503826669 1074724865 /nfs/dbraw/zinc/72/48/65/1074724865.db2.gz UGZPWRNTQOKNGN-QGZVFWFLSA-N 1 2 434.545 -0.593 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546047140 1074465831 /nfs/dbraw/zinc/46/58/31/1074465831.db2.gz RQXAXPJDCLPGGK-DOMZBBRYSA-N 1 2 427.527 -0.400 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546047141 1074465756 /nfs/dbraw/zinc/46/57/56/1074465756.db2.gz RQXAXPJDCLPGGK-IUODEOHRSA-N 1 2 427.527 -0.400 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546047142 1074465630 /nfs/dbraw/zinc/46/56/30/1074465630.db2.gz RQXAXPJDCLPGGK-SWLSCSKDSA-N 1 2 427.527 -0.400 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546047143 1074465718 /nfs/dbraw/zinc/46/57/18/1074465718.db2.gz RQXAXPJDCLPGGK-WFASDCNBSA-N 1 2 427.527 -0.400 20 0 IBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546049866 1074467014 /nfs/dbraw/zinc/46/70/14/1074467014.db2.gz JQWUNMGHXIYHSJ-DLBZAZTESA-N 1 2 434.468 -0.376 20 0 IBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546049867 1074466979 /nfs/dbraw/zinc/46/69/79/1074466979.db2.gz JQWUNMGHXIYHSJ-IAGOWNOFSA-N 1 2 434.468 -0.376 20 0 IBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546049868 1074466943 /nfs/dbraw/zinc/46/69/43/1074466943.db2.gz JQWUNMGHXIYHSJ-IRXDYDNUSA-N 1 2 434.468 -0.376 20 0 IBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546049869 1074467026 /nfs/dbraw/zinc/46/70/26/1074467026.db2.gz JQWUNMGHXIYHSJ-SJORKVTESA-N 1 2 434.468 -0.376 20 0 IBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001546050150 1074466986 /nfs/dbraw/zinc/46/69/86/1074466986.db2.gz PFTKRZIBEPTFGE-CVEARBPZSA-N 1 2 445.925 -0.125 20 0 IBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001546050151 1074466883 /nfs/dbraw/zinc/46/68/83/1074466883.db2.gz PFTKRZIBEPTFGE-HOTGVXAUSA-N 1 2 445.925 -0.125 20 0 IBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001546050152 1074467001 /nfs/dbraw/zinc/46/70/01/1074467001.db2.gz PFTKRZIBEPTFGE-HZPDHXFCSA-N 1 2 445.925 -0.125 20 0 IBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001546050153 1074466931 /nfs/dbraw/zinc/46/69/31/1074466931.db2.gz PFTKRZIBEPTFGE-JKSUJKDBSA-N 1 2 445.925 -0.125 20 0 IBADLO CN1CCn2ncc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c2S1(=O)=O ZINC001626094092 1073257152 /nfs/dbraw/zinc/25/71/52/1073257152.db2.gz QWYJLAYKMJTMJY-UHFFFAOYSA-N 1 2 447.521 -0.619 20 0 IBADLO Nc1ccccc1S(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626094236 1073257181 /nfs/dbraw/zinc/25/71/81/1073257181.db2.gz WOYDCQWHSYHLFW-UHFFFAOYSA-N 1 2 446.533 -0.203 20 0 IBADLO CCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001626119646 1074467097 /nfs/dbraw/zinc/46/70/97/1074467097.db2.gz PPTMEWQPZULYBB-KRWDZBQOSA-N 1 2 438.550 -0.218 20 0 IBADLO CCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001626119647 1074466897 /nfs/dbraw/zinc/46/68/97/1074466897.db2.gz PPTMEWQPZULYBB-QGZVFWFLSA-N 1 2 438.550 -0.218 20 0 IBADLO COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648850360 1070891385 /nfs/dbraw/zinc/89/13/85/1070891385.db2.gz RBXCDZUEZVEVRB-HKUYNNGSSA-N 1 2 431.489 -0.001 20 0 IBADLO COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648850361 1070891567 /nfs/dbraw/zinc/89/15/67/1070891567.db2.gz RBXCDZUEZVEVRB-IEBWSBKVSA-N 1 2 431.489 -0.001 20 0 IBADLO COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648850362 1070891508 /nfs/dbraw/zinc/89/15/08/1070891508.db2.gz RBXCDZUEZVEVRB-MJGOQNOKSA-N 1 2 431.489 -0.001 20 0 IBADLO COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648850363 1070891263 /nfs/dbraw/zinc/89/12/63/1070891263.db2.gz RBXCDZUEZVEVRB-PKOBYXMFSA-N 1 2 431.489 -0.001 20 0 IBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001648950652 1071598418 /nfs/dbraw/zinc/59/84/18/1071598418.db2.gz AUIGOFYDNSRMHO-UHFFFAOYSA-N 1 2 439.582 -0.102 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001648951095 1071603394 /nfs/dbraw/zinc/60/33/94/1071603394.db2.gz HELDVIISBRMUMF-INIZCTEOSA-N 1 2 425.555 -0.610 20 0 IBADLO C[NH+]1CCN(C2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001648951099 1071603932 /nfs/dbraw/zinc/60/39/32/1071603932.db2.gz HELDVIISBRMUMF-MRXNPFEDSA-N 1 2 425.555 -0.610 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001648954757 1071771598 /nfs/dbraw/zinc/77/15/98/1071771598.db2.gz BKLUCYLYFHJMLT-HNNXBMFYSA-N 1 2 426.587 -0.058 20 0 IBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001648954760 1071771746 /nfs/dbraw/zinc/77/17/46/1071771746.db2.gz BKLUCYLYFHJMLT-OAHLLOKOSA-N 1 2 426.587 -0.058 20 0 IBADLO Cn1ncc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1I ZINC001670453332 1070904302 /nfs/dbraw/zinc/90/43/02/1070904302.db2.gz BWEOPIMKBYYPTP-VIFPVBQESA-N 1 2 441.295 -0.357 20 0 IBADLO Cn1ncc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1I ZINC001670453332 1070904292 /nfs/dbraw/zinc/90/42/92/1070904292.db2.gz BWEOPIMKBYYPTP-VIFPVBQESA-N 1 2 441.295 -0.357 20 0 IBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001670608264 1070926409 /nfs/dbraw/zinc/92/64/09/1070926409.db2.gz RRYGWHCMHJGZQX-UHFFFAOYSA-N 1 2 441.510 -0.327 20 0 IBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001670608264 1070926400 /nfs/dbraw/zinc/92/64/00/1070926400.db2.gz RRYGWHCMHJGZQX-UHFFFAOYSA-N 1 2 441.510 -0.327 20 0 IBADLO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001670647788 1070929766 /nfs/dbraw/zinc/92/97/66/1070929766.db2.gz NCTPYAQRPHRJIZ-GOSISDBHSA-N 1 2 445.611 -0.786 20 0 IBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001670647788 1070929750 /nfs/dbraw/zinc/92/97/50/1070929750.db2.gz NCTPYAQRPHRJIZ-GOSISDBHSA-N 1 2 445.611 -0.786 20 0 IBADLO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001670647789 1070930029 /nfs/dbraw/zinc/93/00/29/1070930029.db2.gz NCTPYAQRPHRJIZ-SFHVURJKSA-N 1 2 445.611 -0.786 20 0 IBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001670647789 1070930016 /nfs/dbraw/zinc/93/00/16/1070930016.db2.gz NCTPYAQRPHRJIZ-SFHVURJKSA-N 1 2 445.611 -0.786 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001670780409 1071454664 /nfs/dbraw/zinc/45/46/64/1071454664.db2.gz UYWAVXANRRVHDN-GOSISDBHSA-N 1 2 427.527 -0.725 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001670780409 1071454656 /nfs/dbraw/zinc/45/46/56/1071454656.db2.gz UYWAVXANRRVHDN-GOSISDBHSA-N 1 2 427.527 -0.725 20 0 IBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001670780410 1071454582 /nfs/dbraw/zinc/45/45/82/1071454582.db2.gz UYWAVXANRRVHDN-SFHVURJKSA-N 1 2 427.527 -0.725 20 0 IBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001670780410 1071454575 /nfs/dbraw/zinc/45/45/75/1071454575.db2.gz UYWAVXANRRVHDN-SFHVURJKSA-N 1 2 427.527 -0.725 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001687346801 1070987634 /nfs/dbraw/zinc/98/76/34/1070987634.db2.gz PFJZXFUOTVJXBG-GOSISDBHSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001687346801 1070987626 /nfs/dbraw/zinc/98/76/26/1070987626.db2.gz PFJZXFUOTVJXBG-GOSISDBHSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001687346802 1070987872 /nfs/dbraw/zinc/98/78/72/1070987872.db2.gz PFJZXFUOTVJXBG-SFHVURJKSA-N 1 2 425.555 -0.013 20 0 IBADLO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001687346802 1070987863 /nfs/dbraw/zinc/98/78/63/1070987863.db2.gz PFJZXFUOTVJXBG-SFHVURJKSA-N 1 2 425.555 -0.013 20 0 IBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC1 ZINC001691010525 1070851311 /nfs/dbraw/zinc/85/13/11/1070851311.db2.gz HSOIGILCOAZQTI-CVEARBPZSA-N 1 2 446.556 -0.550 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC1 ZINC001691010526 1070851433 /nfs/dbraw/zinc/85/14/33/1070851433.db2.gz HSOIGILCOAZQTI-HOTGVXAUSA-N 1 2 446.556 -0.550 20 0 IBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC1 ZINC001691010527 1070851731 /nfs/dbraw/zinc/85/17/31/1070851731.db2.gz HSOIGILCOAZQTI-HZPDHXFCSA-N 1 2 446.556 -0.550 20 0 IBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC1 ZINC001691010528 1070851235 /nfs/dbraw/zinc/85/12/35/1070851235.db2.gz HSOIGILCOAZQTI-JKSUJKDBSA-N 1 2 446.556 -0.550 20 0 IBADLO